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 1n0h_1_A DATA FIRST_RESID 83 DATA SEQUENCE PDMDTSFVGL TGGQIFNEMM SRQNVDTVFG YPGGAILPVY DAIHNSDKFN DATA SEQUENCE FVLPKHEQGA GHMAEGYARA SGKPGVVLVT SGPGATNVVT PMADAFADGI DATA SEQUENCE PMVVFTGQVP TSAIGTDAFQ EADVVGISRS CTKWNVMVKS VEELPLRINE DATA SEQUENCE AFEIATSGRP GPVLVDLPKD VTAAILRNPI PTKTTLPSXX XXXXTSRAQD DATA SEQUENCE EFVMQSINKA ADLINLAKKP VLYVGAGILN HADGPRLLKE LSDRAQIPVT DATA SEQUENCE TTLQGLGSFD QEDPKSLDML GMHGCATANL AVQNADLIIA VGARFDDRVT DATA SEQUENCE GNISKFAPEA RRAAAEGRGG IIHFEVSPKN INKVVQTQIA VEGDATTNLG DATA SEQUENCE KMMSKIFPVK ERSEWFAQIN KWKKEYPYAY MEETPGSKIK PQTVIKKLSK DATA SEQUENCE VANDTGRHVI VTTGVGQHQM WAAQHWTWRN PHTFITSGGL GTMGYGLPAA DATA SEQUENCE IGAQVAKPES LVIDIDGDAS FNMTLTELSS AVQAGTPVKI LILNNEEQGM DATA SEQUENCE VTQWQSLFYE HRYSHTHQLN PDFIKLAEAM GLKGLRVKKQ EELDAKLKEF DATA SEQUENCE VSTKGPVLLE VEVDKKVPVL PMVAGGSGLD EFINFDPEVE RQQTELRHKR DATA SEQUENCE TGGKH 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 83 P HA 0.000 nan 4.420 nan 0.000 0.216 83 P C 0.000 177.297 177.300 -0.005 0.000 1.155 83 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 83 P CB 0.000 31.701 31.700 0.002 0.000 0.726 84 D N 3.808 124.203 120.400 -0.010 0.000 2.450 84 D HA 0.108 4.748 4.640 0.000 0.000 0.247 84 D C -0.341 175.947 176.300 -0.020 0.000 1.162 84 D CA 0.281 54.272 54.000 -0.015 0.000 0.879 84 D CB 0.739 41.528 40.800 -0.018 0.000 1.163 84 D HN 0.144 nan 8.370 nan 0.000 0.472 85 M N 2.659 122.247 119.600 -0.021 0.000 2.444 85 M HA 0.279 4.759 4.480 0.000 0.000 0.319 85 M C -0.145 176.129 176.300 -0.044 0.000 1.183 85 M CA -0.631 54.653 55.300 -0.027 0.000 1.032 85 M CB 1.130 33.720 32.600 -0.016 0.000 1.569 85 M HN 0.341 nan 8.290 nan 0.000 0.468 86 D N -0.215 120.148 120.400 -0.061 0.000 2.646 86 D HA 0.474 5.114 4.640 0.000 0.000 0.245 86 D C 0.203 176.454 176.300 -0.082 0.000 1.099 86 D CA -0.331 53.610 54.000 -0.099 0.000 0.849 86 D CB 1.546 42.243 40.800 -0.171 0.000 1.448 86 D HN 0.713 nan 8.370 nan 0.000 0.489 87 T N -0.801 113.711 114.554 -0.069 0.000 3.040 87 T HA 0.071 4.421 4.350 0.000 0.000 0.266 87 T C 1.578 176.272 174.700 -0.010 0.000 1.005 87 T CA 0.438 62.523 62.100 -0.026 0.000 0.906 87 T CB -0.224 68.639 68.868 -0.008 0.000 1.082 87 T HN 0.267 nan 8.240 nan 0.000 0.531 88 S N 1.033 116.692 115.700 -0.069 0.000 2.440 88 S HA 0.010 4.480 4.470 0.000 0.000 0.238 88 S C 1.431 176.153 174.600 0.203 0.000 1.010 88 S CA 0.512 58.706 58.200 -0.010 0.000 0.972 88 S CB -1.108 62.026 63.200 -0.111 0.000 0.774 88 S HN 0.649 nan 8.310 nan 0.000 0.501 89 F N 1.363 121.318 119.950 0.007 0.000 2.749 89 F HA 0.275 4.802 4.527 0.000 0.000 0.300 89 F C 0.410 176.219 175.800 0.014 0.000 1.103 89 F CA -0.706 57.301 58.000 0.011 0.000 1.342 89 F CB 0.402 39.411 39.000 0.016 0.000 1.098 89 F HN -0.006 nan 8.300 nan 0.000 0.586 90 V N 1.300 121.329 119.914 0.191 0.000 2.540 90 V HA 0.152 4.272 4.120 0.000 0.000 0.297 90 V C 1.073 177.219 176.094 0.087 0.000 1.024 90 V CA 1.450 63.817 62.300 0.112 0.000 1.105 90 V CB 0.105 31.970 31.823 0.070 0.000 0.938 90 V HN 0.649 nan 8.190 nan 0.000 0.482 91 G N 3.770 112.610 108.800 0.066 0.000 2.259 91 G HA2 -0.181 3.779 3.960 0.000 0.000 0.217 91 G HA3 -0.181 3.779 3.960 0.000 0.000 0.217 91 G C 0.059 174.979 174.900 0.034 0.000 1.001 91 G CA -0.076 45.051 45.100 0.045 0.000 0.627 91 G HN 0.531 nan 8.290 nan 0.000 0.501 92 L N 1.909 123.155 121.223 0.037 0.000 2.456 92 L HA 0.602 4.942 4.340 0.000 0.000 0.257 92 L C 1.484 178.350 176.870 -0.007 0.000 1.162 92 L CA -0.042 54.797 54.840 -0.002 0.000 0.808 92 L CB 1.061 43.089 42.059 -0.052 0.000 1.136 92 L HN 0.417 nan 8.230 nan 0.000 0.466 93 T N -2.314 112.227 114.554 -0.022 0.000 2.902 93 T HA 0.279 4.629 4.350 0.000 0.000 0.280 93 T C 1.192 175.878 174.700 -0.023 0.000 0.992 93 T CA -0.217 61.876 62.100 -0.012 0.000 1.015 93 T CB 1.562 70.425 68.868 -0.009 0.000 1.044 93 T HN 0.690 nan 8.240 nan 0.000 0.520 94 G N 0.509 109.307 108.800 -0.004 0.000 2.469 94 G HA2 -0.065 3.895 3.960 0.000 0.000 0.219 94 G HA3 -0.065 3.895 3.960 0.000 0.000 0.219 94 G C 1.552 176.457 174.900 0.009 0.000 1.150 94 G CA 0.710 45.815 45.100 0.007 0.000 0.763 94 G HN 1.049 nan 8.290 nan 0.000 0.561 95 G N 0.186 108.983 108.800 -0.005 0.000 2.440 95 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 95 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 95 G C 1.823 176.745 174.900 0.036 0.000 1.154 95 G CA 1.123 46.222 45.100 -0.001 0.000 0.767 95 G HN 0.535 nan 8.290 nan 0.000 0.552 96 Q N -0.281 119.509 119.800 -0.016 0.000 2.119 96 Q HA 0.073 4.413 4.340 0.000 0.000 0.201 96 Q C 2.590 178.507 176.000 -0.137 0.000 0.972 96 Q CA 0.748 56.520 55.803 -0.051 0.000 0.847 96 Q CB -0.149 28.550 28.738 -0.065 0.000 0.903 96 Q HN 0.513 nan 8.270 nan 0.000 0.433 97 I N 0.162 120.608 120.570 -0.206 0.000 2.226 97 I HA -0.263 3.907 4.170 0.000 0.000 0.245 97 I C 2.150 178.115 176.117 -0.254 0.000 1.100 97 I CA 1.023 62.060 61.300 -0.439 0.000 1.374 97 I CB -0.233 37.539 38.000 -0.380 0.000 1.057 97 I HN 0.169 nan 8.210 nan 0.000 0.413 98 F N 1.810 121.633 119.950 -0.211 0.000 2.095 98 F HA -0.297 4.230 4.527 0.000 0.000 0.298 98 F C 2.298 178.005 175.800 -0.155 0.000 1.104 98 F CA 2.067 59.951 58.000 -0.193 0.000 1.232 98 F CB -0.550 38.322 39.000 -0.212 0.000 0.987 98 F HN 0.081 nan 8.300 nan 0.000 0.475 99 N N -0.121 118.613 118.700 0.057 0.000 2.069 99 N HA -0.217 4.523 4.740 0.000 0.000 0.191 99 N C 1.728 177.197 175.510 -0.068 0.000 1.031 99 N CA 1.488 54.577 53.050 0.065 0.000 0.852 99 N CB -0.081 38.459 38.487 0.088 0.000 1.018 99 N HN 0.317 nan 8.380 nan 0.000 0.423 100 E N 0.507 120.622 120.200 -0.142 0.000 2.110 100 E HA -0.148 4.202 4.350 0.000 0.000 0.193 100 E C 2.005 178.531 176.600 -0.123 0.000 0.988 100 E CA 0.812 57.136 56.400 -0.127 0.000 0.804 100 E CB -0.224 29.352 29.700 -0.207 0.000 0.745 100 E HN 0.485 nan 8.360 nan 0.000 0.458 101 M N -0.156 119.315 119.600 -0.215 0.000 2.229 101 M HA -0.044 4.436 4.480 0.000 0.000 0.264 101 M C 2.014 178.112 176.300 -0.338 0.000 1.063 101 M CA 0.956 56.125 55.300 -0.218 0.000 1.114 101 M CB -0.697 31.769 32.600 -0.225 0.000 1.387 101 M HN 0.088 nan 8.290 nan 0.000 0.420 102 M N -0.802 118.544 119.600 -0.423 0.000 2.159 102 M HA -0.097 4.383 4.480 0.000 0.000 0.263 102 M C 2.419 178.600 176.300 -0.198 0.000 1.063 102 M CA 1.321 56.379 55.300 -0.404 0.000 1.110 102 M CB -1.760 30.569 32.600 -0.452 0.000 1.374 102 M HN 0.298 nan 8.290 nan 0.000 0.411 103 S N 0.279 115.925 115.700 -0.089 0.000 2.355 103 S HA -0.081 4.389 4.470 0.000 0.000 0.222 103 S C 2.057 176.617 174.600 -0.067 0.000 1.031 103 S CA 1.011 59.195 58.200 -0.027 0.000 0.993 103 S CB 0.002 63.203 63.200 0.001 0.000 0.859 103 S HN 0.457 nan 8.310 nan 0.000 0.453 104 R N 0.185 120.631 120.500 -0.089 0.000 2.189 104 R HA 0.086 4.426 4.340 0.000 0.000 0.223 104 R C 1.742 177.951 176.300 -0.152 0.000 1.092 104 R CA 0.862 56.911 56.100 -0.085 0.000 0.989 104 R CB -0.125 30.148 30.300 -0.045 0.000 0.876 104 R HN 0.420 nan 8.270 nan 0.000 0.457 105 Q N 0.273 119.910 119.800 -0.272 0.000 2.320 105 Q HA 0.009 4.349 4.340 0.000 0.000 0.201 105 Q C -0.156 175.700 176.000 -0.240 0.000 0.910 105 Q CA -0.004 55.553 55.803 -0.409 0.000 0.946 105 Q CB -0.090 28.045 28.738 -1.006 0.000 1.062 105 Q HN 0.408 nan 8.270 nan 0.000 0.503 106 N N -0.264 118.359 118.700 -0.128 0.000 2.735 106 N HA -0.167 4.573 4.740 0.000 0.000 0.248 106 N C -1.035 174.475 175.510 0.000 0.000 1.083 106 N CA -0.173 52.853 53.050 -0.040 0.000 0.703 106 N CB -0.547 37.930 38.487 -0.016 0.000 1.005 106 N HN -0.063 nan 8.380 nan 0.000 0.550 107 V N 1.898 121.791 119.914 -0.035 0.000 2.432 107 V HA 0.108 4.228 4.120 0.000 0.000 0.271 107 V C 0.945 177.071 176.094 0.053 0.000 1.046 107 V CA 0.636 62.939 62.300 0.005 0.000 0.945 107 V CB 1.434 33.198 31.823 -0.097 0.000 0.992 107 V HN 0.427 nan 8.190 nan 0.000 0.471 108 D N 1.745 122.202 120.400 0.094 0.000 2.441 108 D HA 0.121 4.761 4.640 0.000 0.000 0.210 108 D C 0.293 176.651 176.300 0.097 0.000 1.102 108 D CA 0.033 54.116 54.000 0.139 0.000 0.840 108 D CB 0.575 41.459 40.800 0.139 0.000 0.990 108 D HN 0.494 nan 8.370 nan 0.000 0.505 109 T N -0.262 114.240 114.554 -0.086 0.000 2.993 109 T HA 0.558 4.909 4.350 0.000 0.000 0.312 109 T C -1.255 173.148 174.700 -0.496 0.000 1.115 109 T CA -0.684 61.221 62.100 -0.326 0.000 1.027 109 T CB 2.472 70.989 68.868 -0.585 0.000 1.116 109 T HN -0.141 nan 8.240 nan 0.000 0.464 110 V N 3.142 122.707 119.914 -0.582 0.000 2.638 110 V HA 0.595 4.715 4.120 0.000 0.000 0.306 110 V C -1.368 174.200 176.094 -0.877 0.000 1.052 110 V CA -0.921 61.053 62.300 -0.542 0.000 0.885 110 V CB 1.537 33.099 31.823 -0.434 0.000 0.999 110 V HN 0.834 nan 8.190 nan 0.000 0.424 111 F N 2.755 122.440 119.950 -0.442 0.000 2.427 111 F HA 0.886 5.414 4.527 0.000 0.000 0.346 111 F C 0.815 176.417 175.800 -0.330 0.000 1.120 111 F CA -0.256 57.479 58.000 -0.441 0.000 1.033 111 F CB 2.002 40.871 39.000 -0.219 0.000 1.126 111 F HN 0.669 nan 8.300 nan 0.000 0.462 112 G N 1.600 110.266 108.800 -0.223 0.000 2.600 112 G HA2 0.508 4.468 3.960 0.000 0.000 0.293 112 G HA3 0.508 4.468 3.960 0.000 0.000 0.293 112 G C -2.663 172.583 174.900 0.576 0.000 1.408 112 G CA -0.712 44.557 45.100 0.282 0.000 0.782 112 G HN 0.409 nan 8.290 nan 0.000 0.482 113 Y N 1.322 121.878 120.300 0.427 0.000 2.401 113 Y HA 0.558 5.108 4.550 0.000 0.000 0.330 113 Y C -2.323 173.569 175.900 -0.012 0.000 1.071 113 Y CA -1.583 56.651 58.100 0.223 0.000 1.049 113 Y CB 3.062 41.578 38.460 0.093 0.000 1.239 113 Y HN 0.493 nan 8.280 nan 0.000 0.437 114 P HA 0.458 nan 4.420 nan 0.000 0.272 114 P C -0.553 176.532 177.300 -0.358 0.000 1.230 114 P CA 0.126 62.661 63.100 -0.943 0.000 0.788 114 P CB 1.709 32.730 31.700 -1.131 0.000 0.949 115 G N -0.672 107.933 108.800 -0.326 0.000 2.646 115 G HA2 0.440 4.400 3.960 0.000 0.000 0.291 115 G HA3 0.440 4.400 3.960 0.000 0.000 0.291 115 G C 0.714 175.540 174.900 -0.124 0.000 1.445 115 G CA -0.120 44.896 45.100 -0.139 0.000 0.814 115 G HN 0.472 nan 8.290 nan 0.000 0.495 116 G N 0.464 109.225 108.800 -0.064 0.000 2.553 116 G HA2 0.037 3.997 3.960 0.000 0.000 0.218 116 G HA3 0.037 3.997 3.960 0.000 0.000 0.218 116 G C 2.088 176.970 174.900 -0.030 0.000 1.195 116 G CA 2.229 47.313 45.100 -0.028 0.000 0.779 116 G HN 1.559 nan 8.290 nan 0.000 0.577 117 A N 0.027 122.824 122.820 -0.038 0.000 1.978 117 A HA 0.021 4.342 4.320 0.000 0.000 0.220 117 A C 2.227 179.799 177.584 -0.020 0.000 1.170 117 A CA 1.645 53.664 52.037 -0.029 0.000 0.636 117 A CB -0.244 18.727 19.000 -0.048 0.000 0.810 117 A HN 0.480 nan 8.150 nan 0.000 0.448 118 I N -0.607 119.952 120.570 -0.020 0.000 3.883 118 I HA 0.155 4.325 4.170 0.000 0.000 0.326 118 I C 1.541 177.694 176.117 0.060 0.000 1.283 118 I CA 0.005 61.319 61.300 0.024 0.000 1.161 118 I CB -0.255 37.795 38.000 0.084 0.000 1.012 118 I HN 0.259 nan 8.210 nan 0.000 0.421 119 L N 1.289 122.508 121.223 -0.006 0.000 2.081 119 L HA -0.152 4.188 4.340 0.000 0.000 0.212 119 L C -0.298 176.591 176.870 0.032 0.000 1.080 119 L CA 1.528 56.368 54.840 -0.001 0.000 0.754 119 L CB -2.017 40.014 42.059 -0.045 0.000 0.893 119 L HN 0.245 nan 8.230 nan 0.000 0.433 120 P HA -0.136 nan 4.420 nan 0.000 0.218 120 P C 1.856 179.145 177.300 -0.018 0.000 1.148 120 P CA 1.129 64.224 63.100 -0.007 0.000 0.822 120 P CB 0.109 31.800 31.700 -0.015 0.000 0.784 121 V N -2.352 117.537 119.914 -0.042 0.000 2.591 121 V HA -0.191 3.929 4.120 0.000 0.000 0.249 121 V C 2.019 178.046 176.094 -0.112 0.000 1.053 121 V CA 1.463 63.674 62.300 -0.149 0.000 1.068 121 V CB -1.290 30.293 31.823 -0.400 0.000 0.689 121 V HN 0.038 nan 8.190 nan 0.000 0.462 122 Y N 0.823 121.048 120.300 -0.125 0.000 2.242 122 Y HA -0.198 4.352 4.550 0.000 0.000 0.291 122 Y C 2.390 178.230 175.900 -0.100 0.000 1.137 122 Y CA 1.893 59.919 58.100 -0.124 0.000 1.181 122 Y CB -0.339 38.023 38.460 -0.164 0.000 0.989 122 Y HN 0.371 nan 8.280 nan 0.000 0.527 123 D N -0.538 119.890 120.400 0.047 0.000 2.144 123 D HA -0.155 4.485 4.640 0.000 0.000 0.200 123 D C 2.166 178.487 176.300 0.036 0.000 0.978 123 D CA 1.193 55.196 54.000 0.006 0.000 0.833 123 D CB -0.108 40.685 40.800 -0.011 0.000 0.961 123 D HN 0.246 nan 8.370 nan 0.000 0.470 124 A N 0.539 123.367 122.820 0.014 0.000 1.930 124 A HA -0.027 4.293 4.320 0.000 0.000 0.217 124 A C 2.174 179.772 177.584 0.023 0.000 1.175 124 A CA 1.242 53.289 52.037 0.017 0.000 0.627 124 A CB -0.825 18.184 19.000 0.016 0.000 0.815 124 A HN 0.543 nan 8.150 nan 0.000 0.443 125 I N -3.648 116.931 120.570 0.015 0.000 3.855 125 I HA 0.189 4.359 4.170 0.000 0.000 0.327 125 I C 0.647 176.733 176.117 -0.052 0.000 1.359 125 I CA -0.404 60.898 61.300 0.004 0.000 1.142 125 I CB -0.612 37.474 38.000 0.143 0.000 1.041 125 I HN 0.319 nan 8.210 nan 0.000 0.403 126 H N 3.734 122.730 119.070 -0.123 0.000 2.975 126 H HA 0.014 4.570 4.556 0.000 0.000 0.303 126 H C 0.244 175.492 175.328 -0.133 0.000 1.023 126 H CA 0.263 56.237 56.048 -0.124 0.000 1.473 126 H CB 0.482 30.195 29.762 -0.081 0.000 1.498 126 H HN 0.441 nan 8.280 nan 0.000 0.549 127 N N 2.176 120.702 118.700 -0.289 0.000 2.713 127 N HA -0.250 4.490 4.740 0.000 0.000 0.251 127 N C -0.109 175.239 175.510 -0.271 0.000 1.117 127 N CA 1.194 54.043 53.050 -0.334 0.000 0.770 127 N CB -1.176 37.019 38.487 -0.486 0.000 1.137 127 N HN 0.519 nan 8.380 nan 0.000 0.566 128 S N 1.146 116.674 115.700 -0.287 0.000 2.549 128 S HA 0.036 4.506 4.470 0.000 0.000 0.286 128 S C 0.993 175.353 174.600 -0.400 0.000 1.314 128 S CA 0.137 58.125 58.200 -0.353 0.000 1.062 128 S CB 0.581 63.485 63.200 -0.493 0.000 0.865 128 S HN 0.284 nan 8.310 nan 0.000 0.498 129 D N 3.435 123.654 120.400 -0.301 0.000 2.402 129 D HA 0.109 4.749 4.640 0.000 0.000 0.216 129 D C 0.736 176.900 176.300 -0.226 0.000 1.128 129 D CA -0.178 53.681 54.000 -0.235 0.000 0.833 129 D CB 0.056 40.770 40.800 -0.144 0.000 0.971 129 D HN 0.546 nan 8.370 nan 0.000 0.503 130 K N -0.091 120.106 120.400 -0.338 0.000 2.366 130 K HA 0.118 4.438 4.320 0.000 0.000 0.198 130 K C -0.128 176.464 176.600 -0.013 0.000 1.044 130 K CA 0.593 56.784 56.287 -0.161 0.000 0.973 130 K CB 0.045 32.504 32.500 -0.068 0.000 0.767 130 K HN 0.273 nan 8.250 nan 0.000 0.475 131 F N -2.624 117.311 119.950 -0.025 0.000 2.799 131 F HA 0.281 4.808 4.527 0.000 0.000 0.316 131 F C -1.690 174.100 175.800 -0.018 0.000 1.155 131 F CA -1.607 56.377 58.000 -0.026 0.000 0.916 131 F CB 0.512 39.490 39.000 -0.036 0.000 1.294 131 F HN -0.296 nan 8.300 nan 0.000 0.447 132 N N 0.553 119.388 118.700 0.225 0.000 2.498 132 N HA 0.526 5.266 4.740 0.000 0.000 0.287 132 N C -1.889 173.724 175.510 0.171 0.000 1.097 132 N CA -0.568 52.556 53.050 0.123 0.000 0.973 132 N CB 1.561 40.064 38.487 0.027 0.000 1.153 132 N HN 0.535 nan 8.380 nan 0.000 0.472 133 F N 2.376 122.336 119.950 0.018 0.000 2.458 133 F HA 0.444 4.971 4.527 0.000 0.000 0.336 133 F C -0.708 175.039 175.800 -0.088 0.000 1.114 133 F CA -0.706 57.286 58.000 -0.012 0.000 0.987 133 F CB 0.961 40.000 39.000 0.065 0.000 1.130 133 F HN 0.074 nan 8.300 nan 0.000 0.458 134 V N 7.382 126.953 119.914 -0.571 0.000 2.417 134 V HA 0.357 4.477 4.120 0.000 0.000 0.291 134 V C -0.371 175.661 176.094 -0.103 0.000 1.024 134 V CA -0.832 61.315 62.300 -0.255 0.000 0.861 134 V CB 1.610 33.218 31.823 -0.359 0.000 0.985 134 V HN 0.640 nan 8.190 nan 0.000 0.436 135 L N 8.274 129.605 121.223 0.180 0.000 2.272 135 L HA 0.573 4.913 4.340 0.000 0.000 0.289 135 L C -2.043 174.978 176.870 0.253 0.000 1.032 135 L CA -1.295 53.716 54.840 0.285 0.000 0.810 135 L CB 2.564 44.800 42.059 0.295 0.000 1.205 135 L HN 0.512 nan 8.230 nan 0.000 0.422 136 P HA 0.327 nan 4.420 nan 0.000 0.307 136 P C -0.646 176.845 177.300 0.318 0.000 1.307 136 P CA -0.588 62.669 63.100 0.261 0.000 0.814 136 P CB 1.747 33.583 31.700 0.226 0.000 1.311 137 K N -1.602 118.929 120.400 0.217 0.000 2.352 137 K HA 0.113 4.433 4.320 0.000 0.000 0.194 137 K C 0.522 177.152 176.600 0.049 0.000 1.038 137 K CA 0.739 57.141 56.287 0.192 0.000 1.023 137 K CB -0.054 32.524 32.500 0.131 0.000 0.840 137 K HN 0.570 nan 8.250 nan 0.000 0.519 138 H N 0.016 119.035 119.070 -0.084 0.000 2.894 138 H HA 0.171 4.727 4.556 0.000 0.000 0.367 138 H C -0.046 175.199 175.328 -0.138 0.000 1.144 138 H CA -0.115 55.817 56.048 -0.194 0.000 1.180 138 H CB 1.934 31.628 29.762 -0.113 0.000 1.758 138 H HN -0.223 nan 8.280 nan 0.000 0.541 139 E N 1.977 122.146 120.200 -0.052 0.000 2.160 139 E HA -0.207 4.143 4.350 0.000 0.000 0.195 139 E C 1.894 178.564 176.600 0.116 0.000 0.991 139 E CA 1.483 57.908 56.400 0.043 0.000 0.810 139 E CB 0.146 29.812 29.700 -0.056 0.000 0.742 139 E HN 0.639 nan 8.360 nan 0.000 0.466 140 Q N -0.015 119.960 119.800 0.291 0.000 2.135 140 Q HA -0.149 4.192 4.340 0.000 0.000 0.204 140 Q C 2.113 178.052 176.000 -0.102 0.000 0.981 140 Q CA 1.681 57.459 55.803 -0.040 0.000 0.856 140 Q CB -0.349 28.283 28.738 -0.177 0.000 0.902 140 Q HN 0.360 nan 8.270 nan 0.000 0.425 141 G N 0.325 109.139 108.800 0.023 0.000 2.418 141 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 141 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 141 G C 1.467 176.374 174.900 0.012 0.000 1.158 141 G CA 0.871 45.995 45.100 0.041 0.000 0.771 141 G HN 0.509 nan 8.290 nan 0.000 0.545 142 A N 0.977 123.822 122.820 0.041 0.000 1.883 142 A HA 0.104 4.424 4.320 0.000 0.000 0.217 142 A C 2.732 180.249 177.584 -0.111 0.000 1.186 142 A CA 2.260 54.321 52.037 0.040 0.000 0.624 142 A CB -1.211 17.863 19.000 0.123 0.000 0.822 142 A HN 0.558 nan 8.150 nan 0.000 0.444 143 G N -1.302 107.415 108.800 -0.138 0.000 2.446 143 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 143 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 143 G C 1.486 176.258 174.900 -0.213 0.000 1.168 143 G CA 1.177 46.154 45.100 -0.205 0.000 0.771 143 G HN 0.650 nan 8.290 nan 0.000 0.551 144 H N -0.029 118.983 119.070 -0.097 0.000 2.423 144 H HA 0.106 4.662 4.556 0.000 0.000 0.297 144 H C 2.678 177.833 175.328 -0.289 0.000 1.075 144 H CA 1.033 57.002 56.048 -0.131 0.000 1.342 144 H CB -0.252 29.439 29.762 -0.118 0.000 1.395 144 H HN 0.351 nan 8.280 nan 0.000 0.530 145 M N -0.237 119.211 119.600 -0.253 0.000 2.175 145 M HA -0.067 4.413 4.480 0.000 0.000 0.264 145 M C 2.652 178.413 176.300 -0.897 0.000 1.063 145 M CA 1.246 56.243 55.300 -0.505 0.000 1.119 145 M CB -0.076 32.224 32.600 -0.500 0.000 1.377 145 M HN 0.229 nan 8.290 nan 0.000 0.415 146 A N 0.480 122.767 122.820 -0.888 0.000 1.902 146 A HA -0.171 4.149 4.320 0.000 0.000 0.217 146 A C 1.912 179.384 177.584 -0.186 0.000 1.181 146 A CA 1.656 53.306 52.037 -0.644 0.000 0.623 146 A CB -0.616 18.197 19.000 -0.312 0.000 0.818 146 A HN 0.528 nan 8.150 nan 0.000 0.443 147 E N -0.623 119.513 120.200 -0.106 0.000 2.051 147 E HA -0.114 4.237 4.350 0.000 0.000 0.192 147 E C 2.183 178.792 176.600 0.015 0.000 0.991 147 E CA 0.812 57.233 56.400 0.035 0.000 0.799 147 E CB -0.419 29.401 29.700 0.201 0.000 0.748 147 E HN 0.593 nan 8.360 nan 0.000 0.449 148 G N 0.752 109.498 108.800 -0.090 0.000 2.418 148 G HA2 -0.320 3.640 3.960 0.000 0.000 0.217 148 G HA3 -0.320 3.640 3.960 0.000 0.000 0.217 148 G C 1.433 176.327 174.900 -0.011 0.000 1.158 148 G CA 0.987 46.028 45.100 -0.098 0.000 0.771 148 G HN 0.298 nan 8.290 nan 0.000 0.545 149 Y N 1.996 122.227 120.300 -0.114 0.000 2.128 149 Y HA -0.061 4.489 4.550 0.000 0.000 0.284 149 Y C 2.934 178.846 175.900 0.020 0.000 1.154 149 Y CA 1.836 59.939 58.100 0.005 0.000 1.149 149 Y CB -0.419 38.094 38.460 0.088 0.000 0.976 149 Y HN 0.252 nan 8.280 nan 0.000 0.505 150 A N 0.931 123.824 122.820 0.122 0.000 1.883 150 A HA -0.193 4.127 4.320 0.000 0.000 0.217 150 A C 2.283 179.835 177.584 -0.054 0.000 1.186 150 A CA 1.724 53.784 52.037 0.038 0.000 0.624 150 A CB -0.609 18.452 19.000 0.101 0.000 0.822 150 A HN 0.426 nan 8.150 nan 0.000 0.444 151 R N -0.451 120.039 120.500 -0.015 0.000 2.091 151 R HA -0.120 4.220 4.340 0.000 0.000 0.238 151 R C 2.354 178.645 176.300 -0.015 0.000 1.136 151 R CA 1.632 57.735 56.100 0.005 0.000 0.959 151 R CB -1.090 29.225 30.300 0.024 0.000 0.856 151 R HN 0.550 nan 8.270 nan 0.000 0.437 152 A N 0.303 123.084 122.820 -0.065 0.000 1.975 152 A HA -0.078 4.242 4.320 0.000 0.000 0.215 152 A C 2.199 179.677 177.584 -0.177 0.000 1.170 152 A CA 1.516 53.516 52.037 -0.061 0.000 0.656 152 A CB -0.225 18.756 19.000 -0.032 0.000 0.821 152 A HN 0.443 nan 8.150 nan 0.000 0.449 153 S N -2.525 112.988 115.700 -0.312 0.000 2.470 153 S HA 0.376 4.846 4.470 0.000 0.000 0.222 153 S C 1.635 176.064 174.600 -0.285 0.000 1.024 153 S CA 1.257 59.243 58.200 -0.357 0.000 0.931 153 S CB -0.016 62.795 63.200 -0.649 0.000 0.791 153 S HN 1.809 nan 8.310 nan 0.000 0.513 154 G N 1.374 110.024 108.800 -0.250 0.000 2.241 154 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 154 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 154 G C 0.029 174.879 174.900 -0.084 0.000 0.998 154 G CA 0.281 45.269 45.100 -0.188 0.000 0.621 154 G HN 0.638 nan 8.290 nan 0.000 0.519 155 K N 1.894 122.254 120.400 -0.067 0.000 2.090 155 K HA 0.504 4.825 4.320 0.000 0.000 0.250 155 K C -2.367 174.324 176.600 0.152 0.000 1.004 155 K CA -1.579 54.749 56.287 0.069 0.000 0.919 155 K CB 1.231 33.816 32.500 0.143 0.000 1.045 155 K HN 0.131 nan 8.250 nan 0.000 0.471 156 P HA 0.026 nan 4.420 nan 0.000 0.275 156 P C -0.445 177.010 177.300 0.259 0.000 1.227 156 P CA -0.305 62.895 63.100 0.167 0.000 0.781 156 P CB 0.771 32.532 31.700 0.101 0.000 0.906 157 G N 1.933 110.851 108.800 0.196 0.000 2.339 157 G HA2 0.419 4.380 3.960 0.000 0.000 0.287 157 G HA3 0.419 4.380 3.960 0.000 0.000 0.287 157 G C -0.476 174.474 174.900 0.084 0.000 1.163 157 G CA -0.389 44.827 45.100 0.193 0.000 0.872 157 G HN 0.341 nan 8.290 nan 0.000 0.464 158 V N 3.272 123.257 119.914 0.117 0.000 2.394 158 V HA 0.360 4.480 4.120 0.000 0.000 0.282 158 V C 0.058 176.259 176.094 0.178 0.000 1.031 158 V CA -0.588 61.796 62.300 0.140 0.000 0.881 158 V CB 1.358 33.289 31.823 0.181 0.000 0.982 158 V HN 0.488 nan 8.190 nan 0.000 0.451 159 V N 6.128 126.148 119.914 0.176 0.000 2.555 159 V HA 0.543 4.663 4.120 0.000 0.000 0.302 159 V C -0.579 175.677 176.094 0.269 0.000 1.038 159 V CA -0.645 61.759 62.300 0.173 0.000 0.887 159 V CB 1.867 33.738 31.823 0.081 0.000 0.991 159 V HN 0.658 nan 8.190 nan 0.000 0.434 160 L N 7.156 128.530 121.223 0.251 0.000 2.427 160 L HA 0.771 5.111 4.340 0.000 0.000 0.264 160 L C -0.476 176.598 176.870 0.340 0.000 0.989 160 L CA -0.093 54.923 54.840 0.294 0.000 0.865 160 L CB 1.463 43.662 42.059 0.233 0.000 1.209 160 L HN 0.575 nan 8.230 nan 0.000 0.430 161 V N 0.771 120.836 119.914 0.253 0.000 3.155 161 V HA 0.742 4.863 4.120 0.000 0.000 0.313 161 V C 0.120 176.295 176.094 0.135 0.000 1.162 161 V CA -0.450 61.977 62.300 0.212 0.000 1.048 161 V CB 1.560 33.461 31.823 0.131 0.000 1.092 161 V HN 0.637 nan 8.190 nan 0.000 0.447 162 T N 0.728 115.326 114.554 0.073 0.000 2.814 162 T HA 0.496 4.846 4.350 0.000 0.000 0.284 162 T C 0.656 175.340 174.700 -0.027 0.000 0.998 162 T CA 0.396 62.501 62.100 0.008 0.000 0.935 162 T CB 1.014 69.860 68.868 -0.036 0.000 1.167 162 T HN 1.556 nan 8.240 nan 0.000 0.545 163 S N -0.176 115.485 115.700 -0.064 0.000 2.640 163 S HA 0.577 5.047 4.470 0.000 0.000 0.262 163 S C 1.345 175.870 174.600 -0.126 0.000 1.232 163 S CA -0.037 58.110 58.200 -0.088 0.000 0.988 163 S CB -0.260 62.879 63.200 -0.102 0.000 1.034 163 S HN 1.577 nan 8.310 nan 0.000 0.569 164 G N 1.536 110.257 108.800 -0.132 0.000 2.660 164 G HA2 -0.298 3.662 3.960 0.000 0.000 0.321 164 G HA3 -0.298 3.662 3.960 0.000 0.000 0.321 164 G C -0.972 173.852 174.900 -0.126 0.000 1.246 164 G CA 0.474 45.486 45.100 -0.147 0.000 1.000 164 G HN 0.748 nan 8.290 nan 0.000 0.550 165 P HA -0.070 nan 4.420 nan 0.000 0.218 165 P C 1.913 179.130 177.300 -0.139 0.000 1.148 165 P CA 2.673 65.694 63.100 -0.133 0.000 0.822 165 P CB -0.717 30.896 31.700 -0.145 0.000 0.784 166 G N 0.331 109.055 108.800 -0.128 0.000 2.422 166 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 166 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 166 G C 1.779 176.637 174.900 -0.070 0.000 1.146 166 G CA 0.971 46.010 45.100 -0.101 0.000 0.769 166 G HN 0.390 nan 8.290 nan 0.000 0.547 167 A N 0.855 123.634 122.820 -0.068 0.000 1.874 167 A HA 0.044 4.364 4.320 0.000 0.000 0.214 167 A C 2.648 180.193 177.584 -0.064 0.000 1.189 167 A CA 2.427 54.429 52.037 -0.058 0.000 0.615 167 A CB -1.079 17.884 19.000 -0.062 0.000 0.830 167 A HN 0.482 nan 8.150 nan 0.000 0.443 168 T N -1.752 112.760 114.554 -0.071 0.000 2.881 168 T HA -0.150 4.200 4.350 0.000 0.000 0.270 168 T C 1.402 176.074 174.700 -0.046 0.000 1.068 168 T CA 1.646 63.709 62.100 -0.062 0.000 1.131 168 T CB -0.833 67.998 68.868 -0.063 0.000 0.871 168 T HN 0.581 nan 8.240 nan 0.000 0.479 169 N N 1.008 119.679 118.700 -0.049 0.000 2.520 169 N HA 0.011 4.751 4.740 0.000 0.000 0.185 169 N C 1.376 176.889 175.510 0.007 0.000 1.068 169 N CA 0.888 53.940 53.050 0.004 0.000 0.911 169 N CB 0.009 38.455 38.487 -0.068 0.000 0.961 169 N HN 0.531 nan 8.380 nan 0.000 0.446 170 V N -3.076 116.815 119.914 -0.039 0.000 3.376 170 V HA 0.200 4.320 4.120 0.000 0.000 0.313 170 V C 1.521 177.566 176.094 -0.081 0.000 1.393 170 V CA -0.060 62.199 62.300 -0.068 0.000 1.125 170 V CB 0.033 31.820 31.823 -0.059 0.000 1.037 170 V HN -0.101 nan 8.190 nan 0.000 0.440 171 V N 1.112 120.986 119.914 -0.067 0.000 2.307 171 V HA -0.208 3.912 4.120 0.000 0.000 0.245 171 V C 2.768 178.824 176.094 -0.063 0.000 1.045 171 V CA 2.967 65.225 62.300 -0.070 0.000 1.024 171 V CB -0.951 30.834 31.823 -0.064 0.000 0.651 171 V HN 0.650 nan 8.190 nan 0.000 0.449 172 T N 0.337 114.860 114.554 -0.052 0.000 2.684 172 T HA -0.121 4.229 4.350 0.000 0.000 0.267 172 T C -0.056 174.631 174.700 -0.022 0.000 1.036 172 T CA 2.128 64.214 62.100 -0.023 0.000 1.148 172 T CB -1.127 67.746 68.868 0.009 0.000 0.863 172 T HN 0.423 nan 8.240 nan 0.000 0.436 173 P HA 0.014 nan 4.420 nan 0.000 0.217 173 P C 1.610 178.889 177.300 -0.035 0.000 1.150 173 P CA 1.111 64.111 63.100 -0.166 0.000 0.832 173 P CB -0.118 31.356 31.700 -0.377 0.000 0.787 174 M N -1.196 118.374 119.600 -0.051 0.000 2.099 174 M HA -0.114 4.366 4.480 0.000 0.000 0.262 174 M C 2.182 178.497 176.300 0.026 0.000 1.067 174 M CA 1.975 57.261 55.300 -0.023 0.000 1.124 174 M CB -0.951 31.609 32.600 -0.066 0.000 1.353 174 M HN -0.101 nan 8.290 nan 0.000 0.410 175 A N 0.113 122.933 122.820 0.000 0.000 1.940 175 A HA -0.232 4.088 4.320 0.000 0.000 0.219 175 A C 1.929 179.567 177.584 0.091 0.000 1.176 175 A CA 2.059 54.115 52.037 0.033 0.000 0.631 175 A CB -0.885 18.110 19.000 -0.008 0.000 0.814 175 A HN 0.553 nan 8.150 nan 0.000 0.446 176 D N -0.002 120.432 120.400 0.057 0.000 2.097 176 D HA -0.065 4.575 4.640 0.000 0.000 0.197 176 D C 2.115 178.431 176.300 0.025 0.000 0.984 176 D CA 1.394 55.409 54.000 0.024 0.000 0.826 176 D CB -0.108 40.729 40.800 0.061 0.000 0.973 176 D HN 0.322 nan 8.370 nan 0.000 0.460 177 A N -0.070 122.790 122.820 0.066 0.000 2.019 177 A HA -0.140 4.181 4.320 0.000 0.000 0.219 177 A C 2.011 179.643 177.584 0.081 0.000 1.164 177 A CA 0.717 52.790 52.037 0.060 0.000 0.644 177 A CB -0.907 18.131 19.000 0.062 0.000 0.805 177 A HN 0.370 nan 8.150 nan 0.000 0.449 178 F N 0.638 120.565 119.950 -0.037 0.000 2.163 178 F HA 0.067 4.594 4.527 0.000 0.000 0.297 178 F C 2.476 178.254 175.800 -0.037 0.000 1.094 178 F CA 0.886 58.866 58.000 -0.033 0.000 1.290 178 F CB -0.339 38.641 39.000 -0.033 0.000 1.017 178 F HN 0.238 nan 8.300 nan 0.000 0.483 179 A N -0.552 122.285 122.820 0.028 0.000 1.898 179 A HA -0.135 4.185 4.320 0.000 0.000 0.216 179 A C 1.618 179.124 177.584 -0.129 0.000 1.181 179 A CA 1.833 53.828 52.037 -0.070 0.000 0.620 179 A CB -0.713 18.272 19.000 -0.025 0.000 0.819 179 A HN 0.359 nan 8.150 nan 0.000 0.442 180 D N -0.705 119.628 120.400 -0.112 0.000 2.325 180 D HA 0.277 4.917 4.640 0.000 0.000 0.225 180 D C 1.013 177.250 176.300 -0.105 0.000 1.096 180 D CA 0.858 54.788 54.000 -0.118 0.000 0.844 180 D CB -0.203 40.516 40.800 -0.135 0.000 0.925 180 D HN 0.521 nan 8.370 nan 0.000 0.513 181 G N 1.770 110.492 108.800 -0.130 0.000 2.350 181 G HA2 -0.289 3.671 3.960 0.000 0.000 0.298 181 G HA3 -0.289 3.671 3.960 0.000 0.000 0.298 181 G C 0.135 175.002 174.900 -0.056 0.000 1.037 181 G CA -0.065 44.965 45.100 -0.117 0.000 1.074 181 G HN 0.370 nan 8.290 nan 0.000 0.511 182 I N 1.654 122.207 120.570 -0.028 0.000 2.377 182 I HA 0.310 4.480 4.170 0.000 0.000 0.293 182 I C -1.693 174.430 176.117 0.010 0.000 0.987 182 I CA -2.685 58.615 61.300 0.001 0.000 1.185 182 I CB 2.083 40.096 38.000 0.021 0.000 1.341 182 I HN -0.012 nan 8.210 nan 0.000 0.455 183 P HA 0.126 nan 4.420 nan 0.000 0.270 183 P C -0.977 176.322 177.300 -0.002 0.000 1.242 183 P CA -0.075 63.028 63.100 0.005 0.000 0.768 183 P CB 0.956 32.666 31.700 0.018 0.000 0.820 184 M N 4.070 123.645 119.600 -0.041 0.000 2.322 184 M HA 0.290 4.770 4.480 0.000 0.000 0.285 184 M C -1.951 174.249 176.300 -0.166 0.000 1.119 184 M CA -0.773 54.485 55.300 -0.070 0.000 0.953 184 M CB 2.284 34.864 32.600 -0.033 0.000 1.701 184 M HN -0.084 nan 8.290 nan 0.000 0.479 185 V N 5.371 125.124 119.914 -0.268 0.000 2.334 185 V HA 0.449 4.569 4.120 0.000 0.000 0.281 185 V C -0.605 175.263 176.094 -0.376 0.000 1.016 185 V CA -0.662 61.365 62.300 -0.455 0.000 0.832 185 V CB 1.421 32.739 31.823 -0.842 0.000 0.999 185 V HN 0.657 nan 8.190 nan 0.000 0.439 186 V N 6.023 125.716 119.914 -0.367 0.000 2.350 186 V HA 0.467 4.587 4.120 0.000 0.000 0.276 186 V C -0.450 175.449 176.094 -0.326 0.000 1.028 186 V CA -0.349 61.814 62.300 -0.229 0.000 0.860 186 V CB 1.105 32.848 31.823 -0.133 0.000 0.990 186 V HN 0.653 nan 8.190 nan 0.000 0.453 187 F N 3.184 123.164 119.950 0.050 0.000 2.385 187 F HA 0.534 5.061 4.527 0.000 0.000 0.360 187 F C 0.780 176.591 175.800 0.018 0.000 1.122 187 F CA -0.484 57.549 58.000 0.056 0.000 1.090 187 F CB 1.846 40.913 39.000 0.112 0.000 1.150 187 F HN 0.499 nan 8.300 nan 0.000 0.472 188 T N 0.343 114.978 114.554 0.134 0.000 2.792 188 T HA 0.679 5.029 4.350 0.000 0.000 0.280 188 T C 0.234 174.966 174.700 0.053 0.000 0.990 188 T CA -0.937 61.205 62.100 0.069 0.000 0.960 188 T CB 1.442 70.312 68.868 0.004 0.000 0.939 188 T HN 0.747 nan 8.240 nan 0.000 0.439 189 G N 1.440 110.263 108.800 0.038 0.000 2.544 189 G HA2 0.473 4.434 3.960 0.000 0.000 0.242 189 G HA3 0.473 4.434 3.960 0.000 0.000 0.242 189 G C -0.565 174.327 174.900 -0.013 0.000 1.247 189 G CA -0.239 44.868 45.100 0.011 0.000 0.840 189 G HN 0.860 nan 8.290 nan 0.000 0.578 190 Q N -0.520 119.270 119.800 -0.016 0.000 2.456 190 Q HA 0.502 4.842 4.340 0.000 0.000 0.283 190 Q C -0.040 175.945 176.000 -0.025 0.000 1.084 190 Q CA -0.744 55.042 55.803 -0.028 0.000 0.801 190 Q CB 2.014 30.739 28.738 -0.022 0.000 1.434 190 Q HN 0.916 nan 8.270 nan 0.000 0.419 191 V N 0.125 120.021 119.914 -0.030 0.000 3.237 191 V HA 0.527 4.647 4.120 0.000 0.000 0.305 191 V C -2.209 173.883 176.094 -0.003 0.000 1.096 191 V CA -1.426 60.866 62.300 -0.014 0.000 1.130 191 V CB -0.289 31.528 31.823 -0.009 0.000 1.048 191 V HN 0.786 nan 8.190 nan 0.000 0.484 192 P HA 0.095 nan 4.420 nan 0.000 0.266 192 P C 1.220 178.524 177.300 0.006 0.000 1.195 192 P CA 0.852 63.957 63.100 0.008 0.000 0.768 192 P CB 0.437 32.145 31.700 0.013 0.000 0.838 193 T N -0.744 113.813 114.554 0.006 0.000 2.721 193 T HA -0.237 4.113 4.350 0.000 0.000 0.268 193 T C 1.649 176.352 174.700 0.005 0.000 1.038 193 T CA 1.917 64.020 62.100 0.005 0.000 1.145 193 T CB -1.281 67.592 68.868 0.008 0.000 0.858 193 T HN 0.449 nan 8.240 nan 0.000 0.459 194 S N 1.410 117.114 115.700 0.007 0.000 2.507 194 S HA 0.352 4.823 4.470 0.000 0.000 0.235 194 S C 2.005 176.610 174.600 0.008 0.000 0.988 194 S CA 0.372 58.576 58.200 0.007 0.000 0.944 194 S CB -0.434 62.772 63.200 0.008 0.000 0.762 194 S HN 0.814 nan 8.310 nan 0.000 0.526 195 A N 0.518 123.343 122.820 0.009 0.000 2.324 195 A HA 0.508 4.828 4.320 0.000 0.000 0.220 195 A C 0.666 178.254 177.584 0.007 0.000 1.209 195 A CA -0.500 51.544 52.037 0.012 0.000 0.918 195 A CB -0.129 18.884 19.000 0.021 0.000 0.959 195 A HN 0.509 nan 8.150 nan 0.000 0.507 196 I N 0.680 121.250 120.570 0.001 0.000 2.683 196 I HA 0.231 4.401 4.170 0.000 0.000 0.286 196 I C 1.538 177.651 176.117 -0.006 0.000 1.175 196 I CA 1.512 62.808 61.300 -0.007 0.000 1.429 196 I CB 0.411 38.405 38.000 -0.011 0.000 1.371 196 I HN 0.479 nan 8.210 nan 0.000 0.569 197 G N 3.866 112.660 108.800 -0.009 0.000 2.157 197 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 197 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 197 G C 0.601 175.499 174.900 -0.004 0.000 0.979 197 G CA 0.437 45.532 45.100 -0.009 0.000 0.650 197 G HN 0.787 nan 8.290 nan 0.000 0.529 198 T N -2.136 112.418 114.554 0.001 0.000 3.174 198 T HA 0.414 4.764 4.350 0.000 0.000 0.269 198 T C 0.572 175.278 174.700 0.010 0.000 1.017 198 T CA 0.788 62.891 62.100 0.006 0.000 0.899 198 T CB 0.164 69.038 68.868 0.010 0.000 1.077 198 T HN 0.440 nan 8.240 nan 0.000 0.552 199 D N 1.184 121.588 120.400 0.006 0.000 2.723 199 D HA -0.134 4.506 4.640 0.000 0.000 0.236 199 D C 0.529 176.846 176.300 0.029 0.000 1.138 199 D CA 0.884 54.890 54.000 0.010 0.000 0.676 199 D CB -1.539 39.267 40.800 0.010 0.000 1.069 199 D HN 0.846 nan 8.370 nan 0.000 0.430 200 A N -0.025 122.813 122.820 0.031 0.000 2.386 200 A HA 0.355 4.675 4.320 0.000 0.000 0.246 200 A C 0.383 178.028 177.584 0.101 0.000 1.089 200 A CA -0.339 51.737 52.037 0.065 0.000 0.790 200 A CB 0.233 19.263 19.000 0.049 0.000 1.042 200 A HN 0.208 nan 8.150 nan 0.000 0.497 201 F N 1.028 120.967 119.950 -0.018 0.000 2.602 201 F HA 0.158 4.685 4.527 0.000 0.000 0.385 201 F C 1.189 176.976 175.800 -0.022 0.000 1.063 201 F CA 0.933 58.921 58.000 -0.020 0.000 1.233 201 F CB -0.366 38.622 39.000 -0.020 0.000 1.067 201 F HN 0.774 nan 8.300 nan 0.000 0.564 202 Q N 2.145 121.604 119.800 -0.569 0.000 2.475 202 Q HA -0.303 4.037 4.340 0.000 0.000 0.280 202 Q C -0.233 175.607 176.000 -0.266 0.000 1.234 202 Q CA 1.233 56.707 55.803 -0.548 0.000 0.873 202 Q CB -1.415 26.812 28.738 -0.853 0.000 1.256 202 Q HN 0.869 nan 8.270 nan 0.000 0.475 203 E N -0.059 120.050 120.200 -0.151 0.000 2.191 203 E HA 0.695 5.045 4.350 0.000 0.000 0.278 203 E C -0.925 175.627 176.600 -0.079 0.000 0.972 203 E CA 0.036 56.380 56.400 -0.092 0.000 0.804 203 E CB 1.307 30.978 29.700 -0.048 0.000 1.110 203 E HN 0.301 nan 8.360 nan 0.000 0.394 204 A N 3.645 126.421 122.820 -0.074 0.000 2.549 204 A HA 0.257 4.577 4.320 0.000 0.000 0.297 204 A C -1.160 176.387 177.584 -0.062 0.000 1.061 204 A CA -0.812 51.184 52.037 -0.067 0.000 0.690 204 A CB 1.704 20.658 19.000 -0.076 0.000 1.287 204 A HN 0.701 nan 8.150 nan 0.000 0.402 205 D N 2.467 122.832 120.400 -0.059 0.000 2.608 205 D HA 0.241 4.881 4.640 0.000 0.000 0.224 205 D C 1.185 177.441 176.300 -0.073 0.000 1.123 205 D CA 0.119 54.082 54.000 -0.061 0.000 1.030 205 D CB 0.066 40.833 40.800 -0.055 0.000 1.093 205 D HN 0.140 nan 8.370 nan 0.000 0.497 206 V N 2.408 122.276 119.914 -0.077 0.000 2.343 206 V HA -0.241 3.879 4.120 0.000 0.000 0.247 206 V C 2.529 178.559 176.094 -0.106 0.000 1.051 206 V CA 1.123 63.370 62.300 -0.088 0.000 1.036 206 V CB -0.288 31.485 31.823 -0.083 0.000 0.654 206 V HN 0.394 nan 8.190 nan 0.000 0.451 207 V N 0.870 120.717 119.914 -0.112 0.000 2.407 207 V HA -0.194 3.926 4.120 0.000 0.000 0.248 207 V C 2.535 178.554 176.094 -0.126 0.000 1.055 207 V CA 2.188 64.406 62.300 -0.138 0.000 1.049 207 V CB -1.283 30.457 31.823 -0.139 0.000 0.662 207 V HN 0.623 nan 8.190 nan 0.000 0.455 208 G N -0.261 108.479 108.800 -0.100 0.000 2.404 208 G HA2 -0.163 3.797 3.960 0.000 0.000 0.214 208 G HA3 -0.163 3.797 3.960 0.000 0.000 0.214 208 G C 1.564 176.407 174.900 -0.095 0.000 1.189 208 G CA 0.832 45.878 45.100 -0.089 0.000 0.789 208 G HN 0.460 nan 8.290 nan 0.000 0.533 209 I N 1.879 122.393 120.570 -0.093 0.000 2.163 209 I HA -0.216 3.954 4.170 0.000 0.000 0.243 209 I C 2.901 178.948 176.117 -0.117 0.000 1.085 209 I CA 1.754 62.998 61.300 -0.094 0.000 1.347 209 I CB -0.217 37.731 38.000 -0.085 0.000 1.044 209 I HN 0.335 nan 8.210 nan 0.000 0.408 210 S N 0.269 115.889 115.700 -0.133 0.000 2.603 210 S HA -0.027 4.443 4.470 0.000 0.000 0.220 210 S C 1.820 176.300 174.600 -0.200 0.000 0.967 210 S CA -0.020 58.081 58.200 -0.165 0.000 0.920 210 S CB -0.276 62.829 63.200 -0.158 0.000 0.773 210 S HN 0.326 nan 8.310 nan 0.000 0.529 211 R N 2.598 122.994 120.500 -0.173 0.000 2.096 211 R HA -0.153 4.187 4.340 0.000 0.000 0.240 211 R C 2.225 178.395 176.300 -0.216 0.000 1.139 211 R CA 2.193 58.191 56.100 -0.170 0.000 0.952 211 R CB -0.681 29.544 30.300 -0.125 0.000 0.854 211 R HN 0.597 nan 8.270 nan 0.000 0.436 212 S N -1.190 114.372 115.700 -0.231 0.000 2.562 212 S HA -0.039 4.431 4.470 0.000 0.000 0.221 212 S C 1.360 175.606 174.600 -0.591 0.000 0.975 212 S CA 0.188 58.214 58.200 -0.291 0.000 0.918 212 S CB -0.257 62.837 63.200 -0.176 0.000 0.772 212 S HN 0.552 nan 8.310 nan 0.000 0.531 213 C N 1.293 120.218 119.300 -0.624 0.000 2.741 213 C HA 0.689 5.149 4.460 0.000 0.000 0.267 213 C C 0.350 174.863 174.990 -0.795 0.000 1.549 213 C CA -0.360 58.132 59.018 -0.877 0.000 1.772 213 C CB -1.600 25.918 27.740 -0.370 0.000 2.962 213 C HN 0.510 nan 8.230 nan 0.000 0.514 214 T N -3.359 110.728 114.554 -0.779 0.000 2.923 214 T HA 0.422 4.772 4.350 0.000 0.000 0.311 214 T C 0.218 174.939 174.700 0.036 0.000 1.183 214 T CA -0.546 61.428 62.100 -0.210 0.000 1.020 214 T CB 1.549 70.337 68.868 -0.135 0.000 1.165 214 T HN 0.202 nan 8.240 nan 0.000 0.482 215 K N -0.052 120.543 120.400 0.324 0.000 2.148 215 K HA 0.099 4.419 4.320 0.000 0.000 0.204 215 K C -0.064 176.729 176.600 0.321 0.000 1.050 215 K CA 0.989 57.492 56.287 0.360 0.000 0.942 215 K CB 0.130 32.785 32.500 0.258 0.000 0.724 215 K HN 0.684 nan 8.250 nan 0.000 0.446 216 W N 0.642 121.950 121.300 0.013 0.000 3.298 216 W HA 0.179 4.840 4.660 0.000 0.000 0.302 216 W C -2.181 174.309 176.519 -0.048 0.000 1.255 216 W CA -0.897 56.439 57.345 -0.015 0.000 1.196 216 W CB 0.895 30.353 29.460 -0.003 0.000 1.364 216 W HN 0.017 nan 8.180 nan 0.000 0.566 217 N N 2.860 121.097 118.700 -0.773 0.000 2.825 217 N HA 0.777 5.517 4.740 0.000 0.000 0.253 217 N C -2.293 172.523 175.510 -1.155 0.000 1.426 217 N CA -0.648 51.911 53.050 -0.819 0.000 0.851 217 N CB 2.246 40.489 38.487 -0.407 0.000 1.470 217 N HN 0.738 nan 8.380 nan 0.000 0.517 218 V N -0.634 118.805 119.914 -0.793 0.000 3.236 218 V HA 0.569 4.689 4.120 0.000 0.000 0.287 218 V C -1.741 174.187 176.094 -0.276 0.000 1.491 218 V CA -0.900 61.065 62.300 -0.559 0.000 1.037 218 V CB 2.120 33.553 31.823 -0.651 0.000 1.160 218 V HN 0.936 nan 8.190 nan 0.000 0.453 219 M N 4.899 124.405 119.600 -0.157 0.000 2.114 219 M HA 0.582 5.062 4.480 0.000 0.000 0.332 219 M C -1.247 175.042 176.300 -0.018 0.000 1.014 219 M CA -0.646 54.610 55.300 -0.073 0.000 0.956 219 M CB 1.474 34.037 32.600 -0.061 0.000 1.551 219 M HN 0.577 nan 8.290 nan 0.000 0.427 220 V N 6.523 126.453 119.914 0.026 0.000 2.450 220 V HA -0.003 4.117 4.120 0.000 0.000 0.281 220 V C 0.881 177.003 176.094 0.047 0.000 1.019 220 V CA 0.245 62.583 62.300 0.063 0.000 1.062 220 V CB 0.509 32.396 31.823 0.106 0.000 0.979 220 V HN 0.882 nan 8.190 nan 0.000 0.477 221 K N 2.788 123.216 120.400 0.046 0.000 2.167 221 K HA 0.054 4.374 4.320 0.000 0.000 0.203 221 K C 0.821 177.446 176.600 0.041 0.000 1.052 221 K CA 0.792 57.100 56.287 0.036 0.000 0.956 221 K CB 0.142 32.663 32.500 0.034 0.000 0.735 221 K HN 0.906 nan 8.250 nan 0.000 0.451 222 S N -2.286 113.446 115.700 0.055 0.000 2.607 222 S HA 0.218 4.688 4.470 0.000 0.000 0.273 222 S C 0.544 175.186 174.600 0.069 0.000 1.148 222 S CA -0.630 57.603 58.200 0.054 0.000 0.833 222 S CB 1.395 64.625 63.200 0.051 0.000 1.130 222 S HN -0.175 nan 8.310 nan 0.000 0.470 223 V N 1.126 121.078 119.914 0.064 0.000 2.626 223 V HA -0.083 4.037 4.120 0.000 0.000 0.252 223 V C 2.029 178.180 176.094 0.096 0.000 1.067 223 V CA 2.415 64.760 62.300 0.075 0.000 1.081 223 V CB -1.072 30.786 31.823 0.059 0.000 0.686 223 V HN 0.932 nan 8.190 nan 0.000 0.468 224 E N 0.227 120.479 120.200 0.088 0.000 2.153 224 E HA -0.226 4.124 4.350 0.000 0.000 0.194 224 E C 2.143 178.808 176.600 0.108 0.000 0.988 224 E CA 1.557 58.014 56.400 0.096 0.000 0.811 224 E CB -0.196 29.548 29.700 0.073 0.000 0.746 224 E HN 0.787 nan 8.360 nan 0.000 0.466 225 E N -0.125 120.138 120.200 0.104 0.000 2.435 225 E HA -0.083 4.267 4.350 0.000 0.000 0.195 225 E C 1.689 178.377 176.600 0.147 0.000 1.029 225 E CA -0.050 56.419 56.400 0.116 0.000 0.865 225 E CB 0.111 29.872 29.700 0.103 0.000 0.833 225 E HN 0.133 nan 8.360 nan 0.000 0.510 226 L N 1.657 122.970 121.223 0.150 0.000 1.971 226 L HA -0.119 4.221 4.340 0.000 0.000 0.215 226 L C -1.041 175.951 176.870 0.204 0.000 1.072 226 L CA 2.157 57.103 54.840 0.177 0.000 0.758 226 L CB -1.108 41.041 42.059 0.149 0.000 0.889 226 L HN 0.078 nan 8.230 nan 0.000 0.433 227 P HA -0.205 nan 4.420 nan 0.000 0.215 227 P C 1.906 179.319 177.300 0.188 0.000 1.157 227 P CA 1.460 64.695 63.100 0.224 0.000 0.874 227 P CB -0.163 31.715 31.700 0.297 0.000 0.790 228 L N -0.451 120.873 121.223 0.167 0.000 1.956 228 L HA -0.208 4.132 4.340 0.000 0.000 0.216 228 L C 2.286 179.275 176.870 0.198 0.000 1.073 228 L CA 2.143 57.073 54.840 0.149 0.000 0.762 228 L CB -1.025 41.112 42.059 0.130 0.000 0.889 228 L HN -0.202 nan 8.230 nan 0.000 0.433 229 R N 0.054 120.704 120.500 0.250 0.000 2.103 229 R HA -0.147 4.193 4.340 0.000 0.000 0.242 229 R C 2.335 178.875 176.300 0.401 0.000 1.142 229 R CA 2.062 58.377 56.100 0.358 0.000 0.960 229 R CB -1.291 29.204 30.300 0.325 0.000 0.858 229 R HN 0.523 nan 8.270 nan 0.000 0.439 230 I N 1.323 122.123 120.570 0.383 0.000 2.226 230 I HA -0.290 3.880 4.170 0.000 0.000 0.245 230 I C 1.838 178.222 176.117 0.444 0.000 1.100 230 I CA 1.228 62.820 61.300 0.487 0.000 1.374 230 I CB -0.365 37.859 38.000 0.374 0.000 1.057 230 I HN 0.165 nan 8.210 nan 0.000 0.413 231 N N 0.745 119.604 118.700 0.264 0.000 2.188 231 N HA -0.166 4.574 4.740 0.000 0.000 0.184 231 N C 1.691 177.296 175.510 0.158 0.000 1.018 231 N CA 1.247 54.406 53.050 0.182 0.000 0.858 231 N CB -0.198 38.345 38.487 0.094 0.000 0.989 231 N HN 0.481 nan 8.380 nan 0.000 0.426 232 E N 0.999 121.263 120.200 0.107 0.000 2.072 232 E HA -0.078 4.272 4.350 0.000 0.000 0.191 232 E C 2.027 178.556 176.600 -0.119 0.000 0.985 232 E CA 0.955 57.292 56.400 -0.104 0.000 0.801 232 E CB -0.083 29.465 29.700 -0.252 0.000 0.750 232 E HN 0.310 nan 8.360 nan 0.000 0.452 233 A N 1.275 124.202 122.820 0.178 0.000 1.851 233 A HA -0.206 4.114 4.320 0.000 0.000 0.216 233 A C 1.971 179.595 177.584 0.068 0.000 1.195 233 A CA 1.459 53.639 52.037 0.239 0.000 0.622 233 A CB -1.000 18.151 19.000 0.252 0.000 0.831 233 A HN 0.179 nan 8.150 nan 0.000 0.444 234 F N -0.092 119.900 119.950 0.071 0.000 2.161 234 F HA -0.154 4.373 4.527 0.000 0.000 0.300 234 F C 2.413 178.218 175.800 0.008 0.000 1.089 234 F CA 1.838 59.866 58.000 0.047 0.000 1.282 234 F CB -0.286 38.748 39.000 0.057 0.000 1.010 234 F HN 0.435 nan 8.300 nan 0.000 0.485 235 E N 0.642 120.931 120.200 0.148 0.000 2.047 235 E HA -0.194 4.156 4.350 0.000 0.000 0.191 235 E C 2.292 178.880 176.600 -0.019 0.000 0.987 235 E CA 1.403 57.829 56.400 0.043 0.000 0.799 235 E CB -0.215 29.479 29.700 -0.010 0.000 0.752 235 E HN 0.400 nan 8.360 nan 0.000 0.449 236 I N 0.940 121.461 120.570 -0.081 0.000 2.315 236 I HA -0.226 3.944 4.170 0.000 0.000 0.248 236 I C 2.579 178.683 176.117 -0.022 0.000 1.117 236 I CA 0.920 62.162 61.300 -0.097 0.000 1.404 236 I CB -0.340 37.541 38.000 -0.198 0.000 1.071 236 I HN 0.168 nan 8.210 nan 0.000 0.419 237 A N 0.679 123.492 122.820 -0.012 0.000 1.972 237 A HA -0.186 4.134 4.320 0.000 0.000 0.219 237 A C 2.245 179.828 177.584 -0.003 0.000 1.169 237 A CA 2.240 54.268 52.037 -0.015 0.000 0.635 237 A CB -0.912 18.033 19.000 -0.091 0.000 0.810 237 A HN 0.524 nan 8.150 nan 0.000 0.446 238 T N -2.333 112.230 114.554 0.014 0.000 3.069 238 T HA 0.304 4.654 4.350 0.000 0.000 0.252 238 T C 0.662 175.371 174.700 0.014 0.000 1.053 238 T CA 0.457 62.572 62.100 0.025 0.000 0.964 238 T CB -0.416 68.487 68.868 0.058 0.000 1.005 238 T HN 0.533 nan 8.240 nan 0.000 0.532 239 S N -0.358 115.344 115.700 0.003 0.000 2.704 239 S HA 0.784 5.254 4.470 0.000 0.000 0.305 239 S C 1.087 175.683 174.600 -0.007 0.000 1.107 239 S CA -0.186 58.012 58.200 -0.003 0.000 0.993 239 S CB 1.106 64.299 63.200 -0.013 0.000 1.110 239 S HN 0.982 nan 8.310 nan 0.000 0.534 240 G N 1.616 110.414 108.800 -0.005 0.000 2.622 240 G HA2 -0.323 3.637 3.960 0.000 0.000 0.307 240 G HA3 -0.323 3.637 3.960 0.000 0.000 0.307 240 G C -0.096 174.797 174.900 -0.012 0.000 1.226 240 G CA 0.477 45.572 45.100 -0.008 0.000 0.997 240 G HN 1.032 nan 8.290 nan 0.000 0.551 241 R N 1.852 122.337 120.500 -0.025 0.000 2.202 241 R HA 0.475 4.815 4.340 0.000 0.000 0.334 241 R C -2.277 173.998 176.300 -0.041 0.000 1.036 241 R CA -1.588 54.488 56.100 -0.040 0.000 0.878 241 R CB 0.839 31.097 30.300 -0.069 0.000 1.067 241 R HN 0.266 nan 8.270 nan 0.000 0.457 242 P HA 0.089 nan 4.420 nan 0.000 0.269 242 P C -0.558 176.721 177.300 -0.034 0.000 1.211 242 P CA 0.145 63.234 63.100 -0.019 0.000 0.781 242 P CB 0.758 32.453 31.700 -0.008 0.000 0.877 243 G N 0.442 109.239 108.800 -0.005 0.000 2.441 243 G HA2 0.473 4.433 3.960 0.000 0.000 0.294 243 G HA3 0.473 4.433 3.960 0.000 0.000 0.294 243 G C -3.341 171.595 174.900 0.060 0.000 1.393 243 G CA -0.856 44.258 45.100 0.024 0.000 0.796 243 G HN 0.281 nan 8.290 nan 0.000 0.494 244 P HA 0.552 nan 4.420 nan 0.000 0.286 244 P C -0.371 176.964 177.300 0.057 0.000 1.261 244 P CA -0.449 62.685 63.100 0.056 0.000 0.821 244 P CB 1.942 33.679 31.700 0.060 0.000 1.013 245 V N 0.889 120.789 119.914 -0.023 0.000 3.007 245 V HA 0.707 4.827 4.120 0.000 0.000 0.311 245 V C -1.006 175.002 176.094 -0.143 0.000 1.120 245 V CA -1.189 61.107 62.300 -0.006 0.000 0.980 245 V CB 2.059 33.951 31.823 0.114 0.000 1.033 245 V HN 0.508 nan 8.190 nan 0.000 0.429 246 L N 3.138 124.251 121.223 -0.184 0.000 2.385 246 L HA 0.854 5.194 4.340 0.000 0.000 0.273 246 L C -1.319 175.377 176.870 -0.290 0.000 0.990 246 L CA -0.597 54.095 54.840 -0.246 0.000 0.821 246 L CB 2.039 43.981 42.059 -0.196 0.000 1.279 246 L HN 0.682 nan 8.230 nan 0.000 0.412 247 V N 3.491 123.232 119.914 -0.288 0.000 2.350 247 V HA 0.296 4.416 4.120 0.000 0.000 0.285 247 V C -0.674 175.412 176.094 -0.014 0.000 1.014 247 V CA -0.539 61.672 62.300 -0.148 0.000 0.831 247 V CB 1.434 33.232 31.823 -0.042 0.000 1.000 247 V HN 0.671 nan 8.190 nan 0.000 0.433 248 D N 4.576 124.951 120.400 -0.041 0.000 2.317 248 D HA 0.397 5.037 4.640 0.000 0.000 0.252 248 D C -0.454 175.872 176.300 0.043 0.000 1.174 248 D CA 0.113 54.107 54.000 -0.011 0.000 0.866 248 D CB 0.921 41.686 40.800 -0.058 0.000 1.127 248 D HN 0.415 nan 8.370 nan 0.000 0.467 249 L N 6.182 127.442 121.223 0.062 0.000 2.313 249 L HA 0.382 4.722 4.340 0.000 0.000 0.273 249 L C -2.179 174.704 176.870 0.022 0.000 1.028 249 L CA -1.987 52.889 54.840 0.059 0.000 0.871 249 L CB 1.512 43.609 42.059 0.063 0.000 1.242 249 L HN 0.188 nan 8.230 nan 0.000 0.434 250 P HA 0.016 nan 4.420 nan 0.000 0.267 250 P C 0.517 177.820 177.300 0.006 0.000 1.205 250 P CA -0.129 62.975 63.100 0.007 0.000 0.765 250 P CB 0.907 32.613 31.700 0.010 0.000 0.828 251 K N 3.921 124.322 120.400 0.001 0.000 2.089 251 K HA -0.251 4.069 4.320 0.000 0.000 0.210 251 K C 1.283 177.885 176.600 0.004 0.000 1.048 251 K CA 2.154 58.441 56.287 -0.000 0.000 0.926 251 K CB -0.298 32.203 32.500 0.002 0.000 0.714 251 K HN 0.541 nan 8.250 nan 0.000 0.448 252 D N -0.043 120.361 120.400 0.008 0.000 2.264 252 D HA -0.123 4.517 4.640 0.000 0.000 0.208 252 D C 1.834 178.142 176.300 0.014 0.000 0.966 252 D CA 0.855 54.861 54.000 0.010 0.000 0.864 252 D CB -0.217 40.590 40.800 0.012 0.000 0.933 252 D HN 0.166 nan 8.370 nan 0.000 0.499 253 V N 1.419 121.344 119.914 0.017 0.000 2.407 253 V HA -0.161 3.959 4.120 0.000 0.000 0.245 253 V C 2.827 178.935 176.094 0.023 0.000 1.041 253 V CA 2.106 64.422 62.300 0.026 0.000 1.040 253 V CB -0.620 31.224 31.823 0.035 0.000 0.671 253 V HN 0.465 nan 8.190 nan 0.000 0.455 254 T N -1.588 112.973 114.554 0.011 0.000 3.023 254 T HA 0.077 4.427 4.350 0.000 0.000 0.266 254 T C 1.706 176.404 174.700 -0.004 0.000 1.093 254 T CA 1.119 63.218 62.100 -0.002 0.000 1.129 254 T CB -0.064 68.784 68.868 -0.033 0.000 0.899 254 T HN 0.402 nan 8.240 nan 0.000 0.491 255 A N 1.346 124.167 122.820 0.000 0.000 2.081 255 A HA 0.735 5.055 4.320 0.000 0.000 0.214 255 A C 1.609 179.196 177.584 0.006 0.000 1.158 255 A CA 0.295 52.332 52.037 0.000 0.000 0.724 255 A CB -0.765 18.236 19.000 0.001 0.000 0.826 255 A HN 0.747 nan 8.150 nan 0.000 0.463 256 A N -0.086 122.741 122.820 0.011 0.000 2.466 256 A HA 0.478 4.798 4.320 0.000 0.000 0.238 256 A C 0.015 177.610 177.584 0.017 0.000 1.074 256 A CA 0.151 52.198 52.037 0.016 0.000 0.774 256 A CB -0.142 18.872 19.000 0.022 0.000 1.015 256 A HN 0.395 nan 8.150 nan 0.000 0.498 257 I N 1.316 121.898 120.570 0.020 0.000 2.359 257 I HA 0.171 4.341 4.170 0.000 0.000 0.294 257 I C -0.236 175.902 176.117 0.034 0.000 0.987 257 I CA -0.748 60.566 61.300 0.023 0.000 1.225 257 I CB 1.592 39.604 38.000 0.020 0.000 1.366 257 I HN 0.592 nan 8.210 nan 0.000 0.466 258 L N 7.725 128.975 121.223 0.046 0.000 2.530 258 L HA 0.131 4.471 4.340 0.000 0.000 0.273 258 L C 0.978 177.882 176.870 0.057 0.000 1.141 258 L CA 0.675 55.554 54.840 0.065 0.000 0.905 258 L CB -0.228 41.893 42.059 0.102 0.000 1.202 258 L HN 0.505 nan 8.230 nan 0.000 0.473 259 R N 2.788 123.316 120.500 0.048 0.000 2.397 259 R HA 0.329 4.669 4.340 0.000 0.000 0.241 259 R C -0.447 175.875 176.300 0.038 0.000 0.914 259 R CA 0.007 56.130 56.100 0.039 0.000 1.071 259 R CB -0.155 30.163 30.300 0.030 0.000 1.116 259 R HN 0.617 nan 8.270 nan 0.000 0.524 260 N N 0.993 119.721 118.700 0.045 0.000 2.240 260 N HA 0.387 5.127 4.740 0.000 0.000 0.302 260 N C -2.846 172.690 175.510 0.043 0.000 1.106 260 N CA -1.670 51.404 53.050 0.039 0.000 0.778 260 N CB 2.553 41.062 38.487 0.036 0.000 1.431 260 N HN -0.232 nan 8.380 nan 0.000 0.479 261 P HA 0.325 nan 4.420 nan 0.000 0.275 261 P C -0.497 176.813 177.300 0.017 0.000 1.228 261 P CA -0.204 62.907 63.100 0.017 0.000 0.786 261 P CB 0.701 32.404 31.700 0.005 0.000 0.927 262 I N -1.130 119.444 120.570 0.007 0.000 2.740 262 I HA 0.634 4.804 4.170 0.000 0.000 0.303 262 I C -2.801 173.306 176.117 -0.017 0.000 1.044 262 I CA -3.691 57.615 61.300 0.011 0.000 1.064 262 I CB 2.087 40.111 38.000 0.041 0.000 1.249 262 I HN 0.037 nan 8.210 nan 0.000 0.433 263 P HA 0.009 nan 4.420 nan 0.000 0.260 263 P C 0.525 177.801 177.300 -0.040 0.000 1.172 263 P CA 0.409 63.499 63.100 -0.016 0.000 0.760 263 P CB 0.525 32.225 31.700 -0.000 0.000 0.773 264 T N 1.655 116.178 114.554 -0.052 0.000 2.759 264 T HA -0.234 4.116 4.350 0.000 0.000 0.269 264 T C 2.081 176.745 174.700 -0.060 0.000 1.042 264 T CA 2.203 64.258 62.100 -0.075 0.000 1.140 264 T CB -0.545 68.285 68.868 -0.064 0.000 0.864 264 T HN 0.493 nan 8.240 nan 0.000 0.455 265 K N 1.694 122.073 120.400 -0.034 0.000 1.991 265 K HA -0.179 4.141 4.320 0.000 0.000 0.212 265 K C 2.449 179.041 176.600 -0.013 0.000 1.049 265 K CA 2.258 58.532 56.287 -0.022 0.000 0.932 265 K CB -2.070 30.424 32.500 -0.011 0.000 0.717 265 K HN 0.683 nan 8.250 nan 0.000 0.441 266 T N -1.013 113.540 114.554 -0.000 0.000 3.026 266 T HA -0.134 4.216 4.350 0.000 0.000 0.271 266 T C 1.517 176.236 174.700 0.032 0.000 1.149 266 T CA 1.884 64.000 62.100 0.026 0.000 1.088 266 T CB -0.946 67.949 68.868 0.044 0.000 0.857 266 T HN 0.672 nan 8.240 nan 0.000 0.551 267 T N -1.056 113.488 114.554 -0.018 0.000 3.132 267 T HA 0.534 4.884 4.350 0.000 0.000 0.274 267 T C 0.079 174.759 174.700 -0.033 0.000 1.011 267 T CA -0.731 61.349 62.100 -0.032 0.000 0.899 267 T CB -0.243 68.482 68.868 -0.238 0.000 1.089 267 T HN 0.397 nan 8.240 nan 0.000 0.543 268 L N 1.552 122.761 121.223 -0.022 0.000 2.385 268 L HA 0.567 4.907 4.340 0.000 0.000 0.273 268 L C -2.531 174.331 176.870 -0.014 0.000 0.990 268 L CA -2.657 52.169 54.840 -0.025 0.000 0.821 268 L CB 2.029 44.068 42.059 -0.034 0.000 1.279 268 L HN -0.092 nan 8.230 nan 0.000 0.412 269 P HA 0.071 nan 4.420 nan 0.000 0.272 269 P C -0.143 177.152 177.300 -0.010 0.000 1.239 269 P CA 0.284 63.370 63.100 -0.023 0.000 0.807 269 P CB 0.433 32.106 31.700 -0.045 0.000 0.951 278 S N 0.748 116.461 115.700 0.021 0.000 2.562 278 S HA 0.248 4.718 4.470 0.000 0.000 0.281 278 S C 1.635 176.252 174.600 0.028 0.000 1.333 278 S CA 0.072 58.284 58.200 0.019 0.000 1.052 278 S CB 0.732 63.941 63.200 0.015 0.000 0.884 278 S HN 0.828 nan 8.310 nan 0.000 0.506 279 R N 3.405 123.919 120.500 0.023 0.000 2.096 279 R HA -0.081 4.259 4.340 0.000 0.000 0.235 279 R C 2.063 178.385 176.300 0.037 0.000 1.127 279 R CA 1.605 57.721 56.100 0.027 0.000 0.968 279 R CB -0.702 29.609 30.300 0.020 0.000 0.861 279 R HN 0.763 nan 8.270 nan 0.000 0.440 280 A N 0.384 123.225 122.820 0.035 0.000 1.968 280 A HA -0.176 4.144 4.320 0.000 0.000 0.217 280 A C 2.016 179.652 177.584 0.086 0.000 1.169 280 A CA 1.253 53.318 52.037 0.047 0.000 0.638 280 A CB -0.382 18.632 19.000 0.023 0.000 0.812 280 A HN 0.436 nan 8.150 nan 0.000 0.446 281 Q N 0.746 120.593 119.800 0.078 0.000 1.990 281 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 281 Q C 1.351 177.444 176.000 0.154 0.000 0.980 281 Q CA 2.175 58.056 55.803 0.129 0.000 0.832 281 Q CB -0.403 28.383 28.738 0.079 0.000 0.897 281 Q HN 0.600 nan 8.270 nan 0.000 0.427 282 D N 0.119 120.570 120.400 0.086 0.000 2.221 282 D HA -0.181 4.459 4.640 0.000 0.000 0.204 282 D C 1.536 177.866 176.300 0.049 0.000 0.982 282 D CA 1.144 55.178 54.000 0.057 0.000 0.857 282 D CB -0.037 40.785 40.800 0.038 0.000 0.934 282 D HN 0.542 nan 8.370 nan 0.000 0.475 283 E N -0.438 119.805 120.200 0.071 0.000 2.072 283 E HA -0.148 4.202 4.350 0.000 0.000 0.190 283 E C 1.874 178.523 176.600 0.083 0.000 0.982 283 E CA 0.341 56.779 56.400 0.063 0.000 0.803 283 E CB -0.047 29.695 29.700 0.070 0.000 0.755 283 E HN 0.178 nan 8.360 nan 0.000 0.453 284 F N 0.460 120.403 119.950 -0.012 0.000 2.146 284 F HA -0.127 4.400 4.527 0.000 0.000 0.298 284 F C 1.872 177.658 175.800 -0.024 0.000 1.096 284 F CA 0.897 58.886 58.000 -0.018 0.000 1.275 284 F CB -0.302 38.686 39.000 -0.020 0.000 1.008 284 F HN -0.150 nan 8.300 nan 0.000 0.480 285 V N 0.380 120.172 119.914 -0.203 0.000 2.358 285 V HA -0.294 3.826 4.120 0.000 0.000 0.246 285 V C 2.400 178.353 176.094 -0.236 0.000 1.047 285 V CA 1.968 64.092 62.300 -0.294 0.000 1.035 285 V CB -0.584 31.188 31.823 -0.085 0.000 0.658 285 V HN 0.433 nan 8.190 nan 0.000 0.452 286 M N -0.147 119.376 119.600 -0.128 0.000 2.159 286 M HA -0.199 4.281 4.480 0.000 0.000 0.263 286 M C 2.151 178.375 176.300 -0.126 0.000 1.063 286 M CA 1.801 57.047 55.300 -0.090 0.000 1.110 286 M CB -0.669 31.907 32.600 -0.040 0.000 1.374 286 M HN 0.381 nan 8.290 nan 0.000 0.411 287 Q N -1.029 118.673 119.800 -0.164 0.000 2.084 287 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 287 Q C 1.920 177.782 176.000 -0.231 0.000 0.978 287 Q CA 2.132 57.838 55.803 -0.162 0.000 0.844 287 Q CB -0.094 28.564 28.738 -0.134 0.000 0.898 287 Q HN 0.558 nan 8.270 nan 0.000 0.426 288 S N 0.767 116.231 115.700 -0.393 0.000 2.359 288 S HA -0.143 4.327 4.470 0.000 0.000 0.224 288 S C 1.915 176.364 174.600 -0.251 0.000 1.035 288 S CA 1.309 59.280 58.200 -0.382 0.000 1.018 288 S CB -0.290 62.593 63.200 -0.529 0.000 0.876 288 S HN 0.386 nan 8.310 nan 0.000 0.448 289 I N 2.168 122.617 120.570 -0.202 0.000 2.208 289 I HA -0.246 3.924 4.170 0.000 0.000 0.245 289 I C 2.139 178.208 176.117 -0.079 0.000 1.097 289 I CA 1.009 62.246 61.300 -0.105 0.000 1.363 289 I CB -0.533 37.440 38.000 -0.046 0.000 1.051 289 I HN 0.273 nan 8.210 nan 0.000 0.413 290 N N 1.208 119.855 118.700 -0.089 0.000 2.120 290 N HA -0.169 4.571 4.740 0.000 0.000 0.188 290 N C 1.759 177.222 175.510 -0.079 0.000 1.024 290 N CA 1.330 54.336 53.050 -0.074 0.000 0.852 290 N CB -0.248 38.203 38.487 -0.061 0.000 1.003 290 N HN 0.419 nan 8.380 nan 0.000 0.424 291 K N 0.871 121.217 120.400 -0.091 0.000 2.057 291 K HA 0.012 4.332 4.320 0.000 0.000 0.207 291 K C 2.120 178.676 176.600 -0.075 0.000 1.049 291 K CA 1.207 57.446 56.287 -0.080 0.000 0.931 291 K CB -0.121 32.326 32.500 -0.089 0.000 0.714 291 K HN 0.117 nan 8.250 nan 0.000 0.440 292 A N 1.624 124.392 122.820 -0.087 0.000 1.902 292 A HA -0.102 4.218 4.320 0.000 0.000 0.217 292 A C 2.398 179.969 177.584 -0.023 0.000 1.181 292 A CA 1.784 53.790 52.037 -0.052 0.000 0.623 292 A CB -0.680 18.276 19.000 -0.073 0.000 0.818 292 A HN 0.328 nan 8.150 nan 0.000 0.443 293 A N 0.100 122.892 122.820 -0.046 0.000 1.902 293 A HA -0.191 4.129 4.320 0.000 0.000 0.217 293 A C 1.765 179.260 177.584 -0.150 0.000 1.181 293 A CA 1.905 53.886 52.037 -0.094 0.000 0.623 293 A CB -0.610 18.315 19.000 -0.125 0.000 0.818 293 A HN 0.459 nan 8.150 nan 0.000 0.443 294 D N 0.002 120.329 120.400 -0.122 0.000 2.104 294 D HA -0.141 4.500 4.640 0.000 0.000 0.194 294 D C 1.932 178.188 176.300 -0.074 0.000 0.994 294 D CA 1.027 54.962 54.000 -0.108 0.000 0.830 294 D CB -0.365 40.397 40.800 -0.063 0.000 0.959 294 D HN 0.430 nan 8.370 nan 0.000 0.452 295 L N 0.396 121.589 121.223 -0.050 0.000 2.056 295 L HA -0.119 4.221 4.340 0.000 0.000 0.207 295 L C 2.496 179.352 176.870 -0.023 0.000 1.078 295 L CA 0.675 55.499 54.840 -0.027 0.000 0.749 295 L CB -0.189 41.863 42.059 -0.012 0.000 0.901 295 L HN 0.035 nan 8.230 nan 0.000 0.433 296 I N -0.049 120.507 120.570 -0.024 0.000 2.226 296 I HA -0.317 3.853 4.170 0.000 0.000 0.245 296 I C 1.861 177.958 176.117 -0.033 0.000 1.100 296 I CA 1.129 62.422 61.300 -0.012 0.000 1.374 296 I CB -0.433 37.566 38.000 -0.001 0.000 1.057 296 I HN 0.355 nan 8.210 nan 0.000 0.413 297 N N 0.662 119.305 118.700 -0.094 0.000 2.520 297 N HA -0.117 4.623 4.740 0.000 0.000 0.185 297 N C 1.583 177.111 175.510 0.030 0.000 1.068 297 N CA 0.898 53.903 53.050 -0.075 0.000 0.911 297 N CB 0.004 38.285 38.487 -0.343 0.000 0.961 297 N HN 0.309 nan 8.380 nan 0.000 0.446 298 L N -0.256 120.967 121.223 0.000 0.000 2.515 298 L HA 0.408 4.748 4.340 0.000 0.000 0.223 298 L C 0.573 177.436 176.870 -0.013 0.000 1.079 298 L CA 0.135 54.980 54.840 0.009 0.000 0.857 298 L CB -0.281 41.777 42.059 -0.001 0.000 1.050 298 L HN -0.114 nan 8.230 nan 0.000 0.476 299 A N 0.097 122.903 122.820 -0.024 0.000 2.483 299 A HA 0.298 4.618 4.320 0.000 0.000 0.238 299 A C 0.885 178.419 177.584 -0.083 0.000 1.070 299 A CA 0.012 52.015 52.037 -0.056 0.000 0.770 299 A CB 0.231 19.203 19.000 -0.046 0.000 1.008 299 A HN 0.268 nan 8.150 nan 0.000 0.497 300 K N 0.473 120.780 120.400 -0.154 0.000 2.399 300 K HA 0.143 4.463 4.320 0.000 0.000 0.196 300 K C -0.111 176.250 176.600 -0.399 0.000 1.117 300 K CA 0.886 57.057 56.287 -0.194 0.000 0.965 300 K CB 0.527 32.930 32.500 -0.163 0.000 0.983 300 K HN 0.709 nan 8.250 nan 0.000 0.531 301 K N 1.901 121.932 120.400 -0.615 0.000 3.146 301 K HA 0.219 4.540 4.320 0.000 0.000 0.168 301 K C -2.726 173.408 176.600 -0.776 0.000 1.075 301 K CA -1.269 54.138 56.287 -1.467 0.000 0.843 301 K CB 1.920 33.344 32.500 -1.792 0.000 1.002 301 K HN -0.030 nan 8.250 nan 0.000 0.597 302 P HA 0.199 nan 4.420 nan 0.000 0.277 302 P C -0.391 177.127 177.300 0.362 0.000 1.240 302 P CA -0.343 62.809 63.100 0.087 0.000 0.798 302 P CB 1.711 33.469 31.700 0.098 0.000 0.979 303 V N 3.119 123.191 119.914 0.263 0.000 2.808 303 V HA 0.279 4.399 4.120 0.000 0.000 0.308 303 V C 0.054 176.246 176.094 0.163 0.000 1.099 303 V CA -0.709 61.748 62.300 0.261 0.000 0.920 303 V CB 2.186 34.173 31.823 0.274 0.000 1.014 303 V HN 0.411 nan 8.190 nan 0.000 0.425 304 L N 4.660 125.940 121.223 0.095 0.000 2.264 304 L HA 0.446 4.786 4.340 0.000 0.000 0.289 304 L C -1.060 175.856 176.870 0.077 0.000 1.044 304 L CA -0.605 54.264 54.840 0.047 0.000 0.807 304 L CB 0.920 42.941 42.059 -0.063 0.000 1.192 304 L HN 0.742 nan 8.230 nan 0.000 0.425 305 Y N 5.595 125.874 120.300 -0.035 0.000 2.717 305 Y HA 0.468 5.018 4.550 0.000 0.000 0.329 305 Y C -0.818 175.026 175.900 -0.093 0.000 1.017 305 Y CA -1.176 56.881 58.100 -0.071 0.000 1.275 305 Y CB 0.547 38.962 38.460 -0.076 0.000 1.109 305 Y HN 0.182 nan 8.280 nan 0.000 0.511 306 V N 6.119 125.957 119.914 -0.126 0.000 2.439 306 V HA 0.774 4.894 4.120 0.000 0.000 0.282 306 V C 0.659 176.620 176.094 -0.223 0.000 1.039 306 V CA 0.112 62.287 62.300 -0.210 0.000 0.913 306 V CB 0.956 32.702 31.823 -0.127 0.000 0.983 306 V HN 0.920 nan 8.190 nan 0.000 0.460 307 G N 2.089 110.735 108.800 -0.257 0.000 3.175 307 G HA2 0.579 4.539 3.960 0.000 0.000 0.255 307 G HA3 0.579 4.539 3.960 0.000 0.000 0.255 307 G C 0.888 175.715 174.900 -0.120 0.000 1.352 307 G CA 0.023 45.006 45.100 -0.195 0.000 1.037 307 G HN 0.832 nan 8.290 nan 0.000 0.556 308 A N -0.813 121.948 122.820 -0.099 0.000 1.978 308 A HA 0.065 4.385 4.320 0.000 0.000 0.220 308 A C 2.510 180.065 177.584 -0.048 0.000 1.170 308 A CA 2.514 54.508 52.037 -0.071 0.000 0.636 308 A CB -1.080 17.879 19.000 -0.067 0.000 0.810 308 A HN 1.286 nan 8.150 nan 0.000 0.448 309 G N -0.307 108.463 108.800 -0.050 0.000 2.462 309 G HA2 -0.186 3.774 3.960 0.000 0.000 0.220 309 G HA3 -0.186 3.774 3.960 0.000 0.000 0.220 309 G C 1.350 176.245 174.900 -0.009 0.000 1.121 309 G CA 1.143 46.229 45.100 -0.022 0.000 0.758 309 G HN 0.496 nan 8.290 nan 0.000 0.559 310 I N 0.280 120.828 120.570 -0.036 0.000 2.676 310 I HA 0.104 4.274 4.170 0.000 0.000 0.259 310 I C 2.012 178.131 176.117 0.004 0.000 1.194 310 I CA 0.531 61.813 61.300 -0.030 0.000 1.473 310 I CB 0.054 38.021 38.000 -0.056 0.000 1.096 310 I HN 0.093 nan 8.210 nan 0.000 0.443 311 L N -0.329 120.889 121.223 -0.008 0.000 2.611 311 L HA 0.132 4.472 4.340 0.000 0.000 0.229 311 L C 1.123 178.095 176.870 0.169 0.000 1.137 311 L CA 0.275 55.110 54.840 -0.008 0.000 0.901 311 L CB -0.657 41.311 42.059 -0.153 0.000 1.098 311 L HN 0.205 nan 8.230 nan 0.000 0.456 312 N N -1.040 117.738 118.700 0.129 0.000 2.314 312 N HA 0.006 4.746 4.740 0.000 0.000 0.200 312 N C -0.133 175.464 175.510 0.144 0.000 1.135 312 N CA -0.041 53.086 53.050 0.127 0.000 0.835 312 N CB 0.380 38.911 38.487 0.074 0.000 0.989 312 N HN 0.174 nan 8.380 nan 0.000 0.478 313 H N -0.411 118.704 119.070 0.076 0.000 2.947 313 H HA 0.281 4.837 4.556 0.000 0.000 0.354 313 H C 0.130 175.507 175.328 0.081 0.000 1.085 313 H CA -0.517 55.565 56.048 0.057 0.000 1.253 313 H CB 1.728 31.508 29.762 0.031 0.000 1.757 313 H HN -0.007 nan 8.280 nan 0.000 0.523 314 A N 3.268 126.207 122.820 0.199 0.000 1.948 314 A HA -0.172 4.148 4.320 0.000 0.000 0.220 314 A C 1.392 179.141 177.584 0.275 0.000 1.177 314 A CA 1.940 54.105 52.037 0.214 0.000 0.636 314 A CB -0.060 18.987 19.000 0.077 0.000 0.815 314 A HN 0.726 nan 8.150 nan 0.000 0.449 315 D N -0.822 119.839 120.400 0.435 0.000 2.340 315 D HA 0.101 4.741 4.640 0.000 0.000 0.220 315 D C 1.872 178.188 176.300 0.025 0.000 1.039 315 D CA 0.775 54.862 54.000 0.145 0.000 0.866 315 D CB -0.247 40.583 40.800 0.050 0.000 0.913 315 D HN 0.429 nan 8.370 nan 0.000 0.523 316 G N 2.535 111.372 108.800 0.062 0.000 2.553 316 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 316 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 316 G C -0.679 174.222 174.900 0.002 0.000 1.195 316 G CA 0.609 45.707 45.100 -0.004 0.000 0.779 316 G HN 0.292 nan 8.290 nan 0.000 0.577 317 P HA -0.048 nan 4.420 nan 0.000 0.216 317 P C 1.966 179.296 177.300 0.050 0.000 1.153 317 P CA 1.094 64.224 63.100 0.051 0.000 0.848 317 P CB -0.080 31.648 31.700 0.047 0.000 0.787 318 R N -0.218 120.304 120.500 0.036 0.000 2.083 318 R HA -0.127 4.213 4.340 0.000 0.000 0.237 318 R C 2.187 178.498 176.300 0.018 0.000 1.137 318 R CA 1.489 57.605 56.100 0.028 0.000 0.951 318 R CB -0.929 29.387 30.300 0.027 0.000 0.851 318 R HN 0.192 nan 8.270 nan 0.000 0.434 319 L N 0.413 121.629 121.223 -0.011 0.000 2.072 319 L HA -0.175 4.165 4.340 0.000 0.000 0.205 319 L C 2.485 179.342 176.870 -0.022 0.000 1.079 319 L CA 0.426 55.246 54.840 -0.034 0.000 0.752 319 L CB -0.480 41.526 42.059 -0.089 0.000 0.906 319 L HN 0.260 nan 8.230 nan 0.000 0.436 320 L N 0.682 121.899 121.223 -0.011 0.000 2.012 320 L HA -0.257 4.083 4.340 0.000 0.000 0.210 320 L C 2.562 179.493 176.870 0.102 0.000 1.073 320 L CA 1.954 56.801 54.840 0.012 0.000 0.748 320 L CB -0.664 41.420 42.059 0.042 0.000 0.891 320 L HN 0.161 nan 8.230 nan 0.000 0.431 321 K N -0.558 119.934 120.400 0.154 0.000 2.026 321 K HA -0.256 4.064 4.320 0.000 0.000 0.208 321 K C 2.178 178.854 176.600 0.127 0.000 1.048 321 K CA 1.767 58.176 56.287 0.202 0.000 0.929 321 K CB -0.301 32.265 32.500 0.111 0.000 0.713 321 K HN 0.554 nan 8.250 nan 0.000 0.439 322 E N 0.395 120.638 120.200 0.071 0.000 2.058 322 E HA -0.233 4.117 4.350 0.000 0.000 0.194 322 E C 2.065 178.697 176.600 0.053 0.000 0.997 322 E CA 1.268 57.699 56.400 0.052 0.000 0.801 322 E CB -0.102 29.614 29.700 0.027 0.000 0.746 322 E HN 0.277 nan 8.360 nan 0.000 0.450 323 L N 0.696 121.939 121.223 0.033 0.000 2.017 323 L HA -0.172 4.168 4.340 0.000 0.000 0.208 323 L C 2.446 179.352 176.870 0.060 0.000 1.073 323 L CA 2.336 57.189 54.840 0.022 0.000 0.745 323 L CB -1.090 40.952 42.059 -0.029 0.000 0.894 323 L HN 0.074 nan 8.230 nan 0.000 0.432 324 S N -0.777 114.975 115.700 0.086 0.000 2.353 324 S HA -0.223 4.247 4.470 0.000 0.000 0.222 324 S C 1.754 176.449 174.600 0.160 0.000 1.035 324 S CA 1.712 59.988 58.200 0.127 0.000 1.025 324 S CB -0.483 62.831 63.200 0.190 0.000 0.902 324 S HN 0.628 nan 8.310 nan 0.000 0.440 325 D N 0.625 121.116 120.400 0.151 0.000 2.117 325 D HA -0.082 4.558 4.640 0.000 0.000 0.197 325 D C 2.203 178.571 176.300 0.114 0.000 0.987 325 D CA 0.823 54.905 54.000 0.137 0.000 0.829 325 D CB -0.433 40.431 40.800 0.107 0.000 0.961 325 D HN 0.404 nan 8.370 nan 0.000 0.460 326 R N 0.576 121.131 120.500 0.093 0.000 2.083 326 R HA -0.077 4.263 4.340 0.000 0.000 0.237 326 R C 1.602 177.955 176.300 0.089 0.000 1.137 326 R CA 1.613 57.762 56.100 0.081 0.000 0.951 326 R CB -0.064 30.275 30.300 0.065 0.000 0.851 326 R HN 0.092 nan 8.270 nan 0.000 0.434 327 A N -0.044 122.832 122.820 0.095 0.000 2.345 327 A HA 0.107 4.427 4.320 0.000 0.000 0.225 327 A C -0.172 177.486 177.584 0.124 0.000 1.243 327 A CA -0.224 51.872 52.037 0.097 0.000 0.875 327 A CB 0.497 19.545 19.000 0.081 0.000 0.929 327 A HN 0.399 nan 8.150 nan 0.000 0.502 328 Q N -0.588 119.309 119.800 0.162 0.000 2.453 328 Q HA -0.175 4.165 4.340 0.000 0.000 0.330 328 Q C -0.771 175.459 176.000 0.383 0.000 1.417 328 Q CA 1.019 56.977 55.803 0.259 0.000 0.902 328 Q CB -1.867 26.925 28.738 0.089 0.000 1.154 328 Q HN 0.755 nan 8.270 nan 0.000 0.395 329 I N 1.697 122.452 120.570 0.310 0.000 2.362 329 I HA 0.322 4.492 4.170 0.000 0.000 0.289 329 I C -1.786 174.447 176.117 0.195 0.000 0.994 329 I CA -2.169 59.310 61.300 0.298 0.000 1.158 329 I CB 1.779 39.887 38.000 0.180 0.000 1.315 329 I HN -0.095 nan 8.210 nan 0.000 0.451 330 P HA 0.087 nan 4.420 nan 0.000 0.268 330 P C -0.685 176.546 177.300 -0.115 0.000 1.205 330 P CA -0.038 63.030 63.100 -0.053 0.000 0.771 330 P CB 1.366 32.983 31.700 -0.139 0.000 0.858 331 V N 2.616 122.339 119.914 -0.319 0.000 2.555 331 V HA 0.515 4.635 4.120 0.000 0.000 0.302 331 V C 0.563 176.487 176.094 -0.283 0.000 1.038 331 V CA -0.238 61.782 62.300 -0.467 0.000 0.887 331 V CB 1.733 32.792 31.823 -1.273 0.000 0.991 331 V HN 0.664 nan 8.190 nan 0.000 0.434 332 T N 2.809 117.281 114.554 -0.137 0.000 2.893 332 T HA 0.746 5.096 4.350 0.000 0.000 0.291 332 T C -0.357 174.352 174.700 0.015 0.000 1.028 332 T CA -0.100 61.981 62.100 -0.032 0.000 0.995 332 T CB 1.662 70.536 68.868 0.009 0.000 1.051 332 T HN 1.010 nan 8.240 nan 0.000 0.470 333 T N 0.459 115.041 114.554 0.046 0.000 2.916 333 T HA 0.741 5.092 4.350 0.000 0.000 0.292 333 T C 0.557 175.301 174.700 0.075 0.000 1.064 333 T CA -0.550 61.580 62.100 0.050 0.000 1.011 333 T CB 1.265 70.151 68.868 0.030 0.000 1.152 333 T HN 0.800 nan 8.240 nan 0.000 0.510 334 T N -0.145 114.446 114.554 0.062 0.000 2.771 334 T HA 0.349 4.699 4.350 0.000 0.000 0.290 334 T C 1.345 176.057 174.700 0.020 0.000 1.005 334 T CA -0.631 61.506 62.100 0.061 0.000 0.944 334 T CB 0.353 69.248 68.868 0.046 0.000 1.147 334 T HN 0.522 nan 8.240 nan 0.000 0.534 335 L N 0.467 121.702 121.223 0.019 0.000 2.046 335 L HA -0.044 4.296 4.340 0.000 0.000 0.208 335 L C 2.447 179.322 176.870 0.009 0.000 1.077 335 L CA 1.765 56.627 54.840 0.036 0.000 0.747 335 L CB -1.048 41.027 42.059 0.027 0.000 0.896 335 L HN 0.603 nan 8.230 nan 0.000 0.432 336 Q N -0.568 119.204 119.800 -0.048 0.000 2.482 336 Q HA 0.109 4.449 4.340 0.000 0.000 0.209 336 Q C 1.706 177.659 176.000 -0.078 0.000 0.961 336 Q CA 0.889 56.640 55.803 -0.086 0.000 0.945 336 Q CB -0.064 28.614 28.738 -0.100 0.000 1.012 336 Q HN 0.648 nan 8.270 nan 0.000 0.515 337 G N -0.291 108.472 108.800 -0.063 0.000 2.939 337 G HA2 0.173 4.133 3.960 0.000 0.000 0.216 337 G HA3 0.173 4.133 3.960 0.000 0.000 0.216 337 G C 0.507 175.368 174.900 -0.064 0.000 1.125 337 G CA -0.334 44.727 45.100 -0.064 0.000 0.766 337 G HN 0.161 nan 8.290 nan 0.000 0.541 338 L N 0.871 122.022 121.223 -0.120 0.000 2.540 338 L HA 0.353 4.693 4.340 0.000 0.000 0.276 338 L C 1.614 178.368 176.870 -0.193 0.000 1.212 338 L CA 1.201 55.893 54.840 -0.247 0.000 0.893 338 L CB 0.619 42.213 42.059 -0.775 0.000 1.138 338 L HN 0.333 nan 8.230 nan 0.000 0.491 339 G N 1.207 110.019 108.800 0.020 0.000 2.284 339 G HA2 -0.332 3.628 3.960 0.000 0.000 0.216 339 G HA3 -0.332 3.628 3.960 0.000 0.000 0.216 339 G C 1.047 175.991 174.900 0.073 0.000 1.009 339 G CA 0.404 45.566 45.100 0.103 0.000 0.625 339 G HN 0.693 nan 8.290 nan 0.000 0.501 340 S N -0.794 114.932 115.700 0.043 0.000 2.402 340 S HA 0.398 4.868 4.470 0.000 0.000 0.229 340 S C 0.742 175.444 174.600 0.170 0.000 1.021 340 S CA 1.153 59.385 58.200 0.053 0.000 0.974 340 S CB 0.063 63.275 63.200 0.021 0.000 0.800 340 S HN 1.013 nan 8.310 nan 0.000 0.484 341 F N 2.267 122.232 119.950 0.025 0.000 2.508 341 F HA 0.528 5.055 4.527 0.000 0.000 0.325 341 F C -0.649 175.194 175.800 0.071 0.000 1.090 341 F CA -1.761 56.261 58.000 0.038 0.000 0.945 341 F CB 1.685 40.703 39.000 0.030 0.000 1.156 341 F HN -0.086 nan 8.300 nan 0.000 0.463 342 D N 3.986 124.035 120.400 -0.584 0.000 2.338 342 D HA 0.067 4.707 4.640 0.000 0.000 0.255 342 D C 0.577 176.714 176.300 -0.272 0.000 1.237 342 D CA 0.427 54.215 54.000 -0.353 0.000 0.883 342 D CB 0.949 41.525 40.800 -0.373 0.000 1.087 342 D HN 0.663 nan 8.370 nan 0.000 0.485 343 Q N 2.315 122.117 119.800 0.003 0.000 2.541 343 Q HA -0.077 4.263 4.340 0.000 0.000 0.215 343 Q C 0.749 176.757 176.000 0.013 0.000 0.977 343 Q CA 0.582 56.435 55.803 0.085 0.000 0.934 343 Q CB 0.479 29.306 28.738 0.148 0.000 0.988 343 Q HN 0.557 nan 8.270 nan 0.000 0.521 344 E N 0.705 120.874 120.200 -0.051 0.000 2.318 344 E HA -0.037 4.313 4.350 0.000 0.000 0.193 344 E C 0.300 176.863 176.600 -0.061 0.000 0.998 344 E CA 0.215 56.584 56.400 -0.053 0.000 0.859 344 E CB 0.112 29.775 29.700 -0.061 0.000 0.812 344 E HN 0.291 nan 8.360 nan 0.000 0.492 345 D N 1.283 121.617 120.400 -0.111 0.000 2.424 345 D HA -0.007 4.633 4.640 0.000 0.000 0.244 345 D C -1.711 174.592 176.300 0.004 0.000 1.134 345 D CA -1.737 52.210 54.000 -0.089 0.000 0.881 345 D CB 1.704 42.361 40.800 -0.238 0.000 1.191 345 D HN -0.179 nan 8.370 nan 0.000 0.445 346 P HA -0.111 nan 4.420 nan 0.000 0.218 346 P C 0.661 177.917 177.300 -0.073 0.000 1.148 346 P CA 1.289 64.371 63.100 -0.031 0.000 0.822 346 P CB 0.232 31.916 31.700 -0.026 0.000 0.784 347 K N -0.638 119.763 120.400 0.002 0.000 2.551 347 K HA 0.082 4.402 4.320 0.000 0.000 0.192 347 K C 0.704 177.350 176.600 0.077 0.000 1.027 347 K CA 0.051 56.308 56.287 -0.050 0.000 1.059 347 K CB -0.162 32.386 32.500 0.082 0.000 0.831 347 K HN 0.041 nan 8.250 nan 0.000 0.508 348 S N 0.898 116.739 115.700 0.235 0.000 2.499 348 S HA 0.184 4.654 4.470 0.000 0.000 0.275 348 S C 0.830 175.461 174.600 0.050 0.000 1.257 348 S CA -0.532 57.836 58.200 0.279 0.000 1.050 348 S CB 0.485 63.897 63.200 0.354 0.000 0.937 348 S HN 0.209 nan 8.310 nan 0.000 0.490 349 L N 3.705 124.924 121.223 -0.007 0.000 2.585 349 L HA 0.295 4.635 4.340 0.000 0.000 0.226 349 L C 1.009 177.872 176.870 -0.012 0.000 1.113 349 L CA 0.073 54.887 54.840 -0.043 0.000 0.876 349 L CB -0.430 41.587 42.059 -0.070 0.000 1.072 349 L HN 0.811 nan 8.230 nan 0.000 0.468 350 D N -0.235 120.199 120.400 0.058 0.000 4.259 350 D HA -0.246 4.394 4.640 0.000 0.000 0.290 350 D C -0.278 176.081 176.300 0.098 0.000 2.199 350 D CA 0.497 54.564 54.000 0.112 0.000 1.194 350 D CB -0.103 40.753 40.800 0.092 0.000 1.003 350 D HN -0.028 nan 8.370 nan 0.000 1.204 351 M N 1.234 120.924 119.600 0.150 0.000 2.243 351 M HA 0.375 4.855 4.480 0.000 0.000 0.341 351 M C 0.158 176.504 176.300 0.077 0.000 1.130 351 M CA -0.175 55.196 55.300 0.118 0.000 1.162 351 M CB 0.428 33.111 32.600 0.140 0.000 1.497 351 M HN 0.375 nan 8.290 nan 0.000 0.456 352 L N 2.623 123.872 121.223 0.043 0.000 2.299 352 L HA 1.098 5.438 4.340 0.000 0.000 0.268 352 L C -0.031 176.839 176.870 -0.000 0.000 1.012 352 L CA -0.154 54.683 54.840 -0.004 0.000 0.816 352 L CB 1.448 43.484 42.059 -0.038 0.000 1.355 352 L HN 0.851 nan 8.230 nan 0.000 0.457 353 G N -0.299 108.484 108.800 -0.028 0.000 2.549 353 G HA2 -0.238 3.722 3.960 0.000 0.000 0.404 353 G HA3 -0.238 3.722 3.960 0.000 0.000 0.404 353 G C 0.088 174.966 174.900 -0.036 0.000 1.292 353 G CA 0.078 45.161 45.100 -0.029 0.000 0.935 353 G HN 1.169 nan 8.290 nan 0.000 0.512 354 M N -0.862 118.696 119.600 -0.070 0.000 2.190 354 M HA -0.207 4.273 4.480 0.000 0.000 0.252 354 M C 1.444 177.577 176.300 -0.278 0.000 1.076 354 M CA 2.711 57.903 55.300 -0.179 0.000 1.079 354 M CB -0.268 32.190 32.600 -0.237 0.000 1.303 354 M HN 0.614 nan 8.290 nan 0.000 0.412 355 H N -0.390 118.701 119.070 0.036 0.000 2.475 355 H HA 0.370 4.926 4.556 0.000 0.000 0.276 355 H C 0.412 175.779 175.328 0.065 0.000 1.126 355 H CA 0.299 56.370 56.048 0.039 0.000 1.023 355 H CB -0.543 29.212 29.762 -0.012 0.000 1.669 355 H HN 0.456 nan 8.280 nan 0.000 0.573 356 G N 0.129 108.999 108.800 0.116 0.000 2.580 356 G HA2 0.131 4.091 3.960 0.000 0.000 0.278 356 G HA3 0.131 4.091 3.960 0.000 0.000 0.278 356 G C -0.073 174.889 174.900 0.103 0.000 1.212 356 G CA -0.445 44.729 45.100 0.123 0.000 0.939 356 G HN 0.439 nan 8.290 nan 0.000 0.513 357 C N 1.101 120.432 119.300 0.052 0.000 2.648 357 C HA 0.425 4.885 4.460 0.000 0.000 0.415 357 C C 2.144 176.913 174.990 -0.368 0.000 1.366 357 C CA 0.099 58.950 59.018 -0.279 0.000 1.756 357 C CB -0.633 26.884 27.740 -0.371 0.000 2.549 357 C HN 0.921 nan 8.230 nan 0.000 0.597 358 A N 5.038 127.525 122.820 -0.555 0.000 1.927 358 A HA -0.160 4.161 4.320 0.000 0.000 0.220 358 A C 2.193 179.402 177.584 -0.625 0.000 1.185 358 A CA 2.778 54.263 52.037 -0.920 0.000 0.639 358 A CB -1.181 17.009 19.000 -1.350 0.000 0.820 358 A HN 0.963 nan 8.150 nan 0.000 0.451 359 T N 0.185 114.525 114.554 -0.356 0.000 2.720 359 T HA -0.061 4.289 4.350 0.000 0.000 0.268 359 T C 2.219 176.791 174.700 -0.214 0.000 1.037 359 T CA 1.776 63.763 62.100 -0.189 0.000 1.144 359 T CB -0.504 68.349 68.868 -0.025 0.000 0.864 359 T HN 0.655 nan 8.240 nan 0.000 0.444 360 A N 2.447 125.151 122.820 -0.194 0.000 1.858 360 A HA -0.165 4.155 4.320 0.000 0.000 0.216 360 A C 2.293 179.781 177.584 -0.161 0.000 1.190 360 A CA 1.584 53.541 52.037 -0.134 0.000 0.617 360 A CB -0.689 18.257 19.000 -0.091 0.000 0.827 360 A HN 0.389 nan 8.150 nan 0.000 0.443 361 N N 0.219 118.786 118.700 -0.221 0.000 2.084 361 N HA -0.111 4.630 4.740 0.000 0.000 0.190 361 N C 1.717 177.080 175.510 -0.245 0.000 1.030 361 N CA 1.437 54.371 53.050 -0.194 0.000 0.849 361 N CB -0.568 37.802 38.487 -0.195 0.000 1.012 361 N HN 0.500 nan 8.380 nan 0.000 0.423 362 L N 0.766 121.721 121.223 -0.446 0.000 2.046 362 L HA -0.145 4.195 4.340 0.000 0.000 0.208 362 L C 2.431 179.012 176.870 -0.482 0.000 1.077 362 L CA 1.218 55.632 54.840 -0.711 0.000 0.747 362 L CB -0.535 40.549 42.059 -1.626 0.000 0.896 362 L HN 0.126 nan 8.230 nan 0.000 0.432 363 A N -0.493 122.171 122.820 -0.260 0.000 1.908 363 A HA -0.168 4.152 4.320 0.000 0.000 0.218 363 A C 2.310 180.033 177.584 0.232 0.000 1.181 363 A CA 1.895 54.039 52.037 0.177 0.000 0.627 363 A CB -0.814 18.237 19.000 0.086 0.000 0.818 363 A HN 0.222 nan 8.150 nan 0.000 0.445 364 V N -0.119 119.815 119.914 0.033 0.000 2.427 364 V HA -0.195 3.925 4.120 0.000 0.000 0.248 364 V C 2.547 178.578 176.094 -0.105 0.000 1.051 364 V CA 1.848 64.130 62.300 -0.030 0.000 1.048 364 V CB -0.580 31.182 31.823 -0.101 0.000 0.666 364 V HN 0.543 nan 8.190 nan 0.000 0.456 365 Q N -0.310 119.434 119.800 -0.093 0.000 2.311 365 Q HA 0.001 4.341 4.340 0.000 0.000 0.203 365 Q C 1.621 177.618 176.000 -0.005 0.000 0.954 365 Q CA 0.771 56.514 55.803 -0.101 0.000 0.885 365 Q CB -0.212 28.474 28.738 -0.086 0.000 0.963 365 Q HN 0.645 nan 8.270 nan 0.000 0.471 366 N N -0.178 118.599 118.700 0.129 0.000 2.220 366 N HA 0.122 4.862 4.740 0.000 0.000 0.195 366 N C 0.078 175.676 175.510 0.146 0.000 1.123 366 N CA 0.102 53.291 53.050 0.233 0.000 0.874 366 N CB 0.704 39.507 38.487 0.527 0.000 0.995 366 N HN 0.024 nan 8.380 nan 0.000 0.498 367 A N 1.582 124.485 122.820 0.139 0.000 2.445 367 A HA 0.091 4.411 4.320 0.000 0.000 0.242 367 A C 0.978 178.492 177.584 -0.116 0.000 1.075 367 A CA -0.113 51.897 52.037 -0.044 0.000 0.777 367 A CB 0.331 19.404 19.000 0.122 0.000 1.013 367 A HN 0.229 nan 8.150 nan 0.000 0.493 368 D N 0.287 120.570 120.400 -0.195 0.000 2.346 368 D HA 0.118 4.758 4.640 0.000 0.000 0.206 368 D C -0.002 176.250 176.300 -0.080 0.000 1.001 368 D CA 0.236 54.156 54.000 -0.133 0.000 0.871 368 D CB 0.068 40.772 40.800 -0.161 0.000 0.943 368 D HN 0.268 nan 8.370 nan 0.000 0.518 369 L N 0.628 121.814 121.223 -0.061 0.000 2.476 369 L HA 0.456 4.796 4.340 0.000 0.000 0.269 369 L C -1.767 175.137 176.870 0.056 0.000 0.965 369 L CA -0.744 54.097 54.840 0.001 0.000 0.845 369 L CB 2.130 44.189 42.059 0.001 0.000 1.259 369 L HN -0.123 nan 8.230 nan 0.000 0.403 370 I N 6.434 127.061 120.570 0.095 0.000 2.355 370 I HA 0.391 4.561 4.170 0.000 0.000 0.288 370 I C -0.510 175.739 176.117 0.221 0.000 0.999 370 I CA -0.426 60.971 61.300 0.163 0.000 1.163 370 I CB 1.472 39.582 38.000 0.184 0.000 1.316 370 I HN 0.515 nan 8.210 nan 0.000 0.454 371 I N 6.543 127.244 120.570 0.218 0.000 2.310 371 I HA 0.346 4.516 4.170 0.000 0.000 0.287 371 I C 0.623 176.888 176.117 0.247 0.000 1.073 371 I CA -0.304 61.144 61.300 0.247 0.000 1.216 371 I CB 0.903 39.017 38.000 0.190 0.000 1.415 371 I HN 0.561 nan 8.210 nan 0.000 0.480 372 A N 6.630 129.637 122.820 0.311 0.000 2.347 372 A HA 0.566 4.886 4.320 0.000 0.000 0.287 372 A C -0.127 177.572 177.584 0.192 0.000 1.199 372 A CA -0.239 51.877 52.037 0.132 0.000 0.851 372 A CB 0.311 19.385 19.000 0.123 0.000 1.118 372 A HN 0.479 nan 8.150 nan 0.000 0.525 373 V N 2.797 122.675 119.914 -0.060 0.000 2.349 373 V HA 0.563 4.684 4.120 0.000 0.000 0.284 373 V C 1.073 177.101 176.094 -0.110 0.000 1.014 373 V CA 0.401 62.680 62.300 -0.036 0.000 0.826 373 V CB 0.648 32.373 31.823 -0.165 0.000 1.009 373 V HN 1.782 nan 8.190 nan 0.000 0.431 374 G N 4.078 112.870 108.800 -0.014 0.000 2.273 374 G HA2 0.015 3.975 3.960 0.000 0.000 0.280 374 G HA3 0.015 3.975 3.960 0.000 0.000 0.280 374 G C 0.162 174.987 174.900 -0.125 0.000 1.047 374 G CA 0.450 45.520 45.100 -0.049 0.000 0.869 374 G HN 1.516 nan 8.290 nan 0.000 0.502 375 A N -0.532 122.172 122.820 -0.193 0.000 2.401 375 A HA 0.877 5.197 4.320 0.000 0.000 0.310 375 A C 0.810 178.326 177.584 -0.113 0.000 1.075 375 A CA -0.045 51.778 52.037 -0.356 0.000 0.746 375 A CB 0.903 19.246 19.000 -1.096 0.000 1.277 375 A HN 1.018 nan 8.150 nan 0.000 0.425 376 R N 0.774 121.264 120.500 -0.016 0.000 2.507 376 R HA 0.371 4.711 4.340 0.000 0.000 0.298 376 R C -1.062 175.417 176.300 0.299 0.000 0.999 376 R CA -0.114 56.096 56.100 0.184 0.000 1.082 376 R CB -0.575 29.790 30.300 0.108 0.000 1.246 376 R HN 0.589 nan 8.270 nan 0.000 0.553 377 F N 2.784 122.795 119.950 0.102 0.000 3.027 377 F HA -0.278 4.249 4.527 0.000 0.000 0.276 377 F C 0.221 175.964 175.800 -0.095 0.000 0.967 377 F CA 1.172 59.163 58.000 -0.015 0.000 0.929 377 F CB -1.788 37.130 39.000 -0.137 0.000 0.873 377 F HN 0.472 nan 8.300 nan 0.000 0.787 378 D N 0.842 121.276 120.400 0.057 0.000 2.363 378 D HA 0.041 4.681 4.640 0.000 0.000 0.240 378 D C 1.126 177.401 176.300 -0.042 0.000 1.236 378 D CA 0.356 54.358 54.000 0.003 0.000 0.927 378 D CB 0.744 41.536 40.800 -0.013 0.000 1.150 378 D HN 0.379 nan 8.370 nan 0.000 0.458 379 D N -0.448 119.924 120.400 -0.046 0.000 2.378 379 D HA -0.154 4.486 4.640 0.000 0.000 0.222 379 D C 1.161 177.428 176.300 -0.055 0.000 0.980 379 D CA 0.471 54.437 54.000 -0.057 0.000 0.907 379 D CB -0.004 40.767 40.800 -0.048 0.000 0.899 379 D HN 0.133 nan 8.370 nan 0.000 0.527 380 R N -0.010 120.458 120.500 -0.053 0.000 2.317 380 R HA 0.230 4.570 4.340 0.000 0.000 0.208 380 R C 1.173 177.443 176.300 -0.051 0.000 0.914 380 R CA 0.079 56.150 56.100 -0.049 0.000 1.060 380 R CB 0.300 30.574 30.300 -0.043 0.000 1.015 380 R HN 0.273 nan 8.270 nan 0.000 0.498 381 V N -0.284 119.589 119.914 -0.069 0.000 3.013 381 V HA -0.072 4.048 4.120 0.000 0.000 0.238 381 V C 2.138 178.155 176.094 -0.129 0.000 1.161 381 V CA 1.666 63.911 62.300 -0.092 0.000 1.170 381 V CB 0.423 32.184 31.823 -0.103 0.000 0.917 381 V HN 0.310 nan 8.190 nan 0.000 0.478 382 T N -1.638 112.796 114.554 -0.200 0.000 2.995 382 T HA 0.259 4.609 4.350 0.000 0.000 0.269 382 T C 1.303 175.985 174.700 -0.031 0.000 1.091 382 T CA 1.081 63.007 62.100 -0.291 0.000 1.128 382 T CB -0.186 68.373 68.868 -0.515 0.000 0.891 382 T HN 1.091 nan 8.240 nan 0.000 0.492 383 G N 2.024 110.812 108.800 -0.019 0.000 2.601 383 G HA2 -0.281 3.679 3.960 0.000 0.000 0.252 383 G HA3 -0.281 3.679 3.960 0.000 0.000 0.252 383 G C -0.354 174.563 174.900 0.029 0.000 1.294 383 G CA -0.223 44.893 45.100 0.027 0.000 0.912 383 G HN 0.748 nan 8.290 nan 0.000 0.574 384 N N 0.542 119.271 118.700 0.048 0.000 2.429 384 N HA 0.105 4.845 4.740 0.000 0.000 0.271 384 N C 1.613 177.163 175.510 0.066 0.000 1.272 384 N CA 0.345 53.421 53.050 0.042 0.000 0.921 384 N CB 0.690 39.202 38.487 0.041 0.000 1.128 384 N HN 0.710 nan 8.380 nan 0.000 0.481 385 I N 3.972 124.562 120.570 0.034 0.000 2.335 385 I HA -0.261 3.909 4.170 0.000 0.000 0.251 385 I C 2.121 178.295 176.117 0.095 0.000 1.129 385 I CA 1.571 62.899 61.300 0.046 0.000 1.402 385 I CB -0.460 37.530 38.000 -0.016 0.000 1.069 385 I HN 0.692 nan 8.210 nan 0.000 0.424 386 S N -0.680 115.057 115.700 0.061 0.000 2.515 386 S HA -0.075 4.395 4.470 0.000 0.000 0.231 386 S C 1.676 176.315 174.600 0.065 0.000 0.987 386 S CA 0.629 58.861 58.200 0.054 0.000 0.936 386 S CB -0.484 62.734 63.200 0.030 0.000 0.766 386 S HN 0.564 nan 8.310 nan 0.000 0.528 387 K N -0.153 120.299 120.400 0.086 0.000 2.358 387 K HA 0.286 4.606 4.320 0.000 0.000 0.200 387 K C -0.196 176.464 176.600 0.100 0.000 1.030 387 K CA -0.489 55.841 56.287 0.071 0.000 1.097 387 K CB 0.167 32.697 32.500 0.051 0.000 0.862 387 K HN 0.379 nan 8.250 nan 0.000 0.534 388 F N 2.803 122.749 119.950 -0.006 0.000 2.572 388 F HA 0.119 4.646 4.527 0.000 0.000 0.370 388 F C 0.746 176.548 175.800 0.003 0.000 1.103 388 F CA -0.303 57.694 58.000 -0.004 0.000 1.286 388 F CB 0.328 39.331 39.000 0.005 0.000 1.105 388 F HN 0.268 nan 8.300 nan 0.000 0.583 389 A N 6.396 128.696 122.820 -0.866 0.000 2.364 389 A HA -0.201 4.119 4.320 0.000 0.000 0.288 389 A C -1.638 175.791 177.584 -0.258 0.000 1.433 389 A CA 0.573 52.225 52.037 -0.641 0.000 0.757 389 A CB -1.883 16.599 19.000 -0.863 0.000 1.098 389 A HN 0.696 nan 8.150 nan 0.000 0.380 390 P HA -0.189 nan 4.420 nan 0.000 0.215 390 P C 1.262 178.526 177.300 -0.060 0.000 1.153 390 P CA 1.406 64.464 63.100 -0.070 0.000 0.853 390 P CB 0.168 31.844 31.700 -0.040 0.000 0.788 391 E N -0.086 120.077 120.200 -0.061 0.000 2.150 391 E HA -0.083 4.267 4.350 0.000 0.000 0.193 391 E C 2.160 178.722 176.600 -0.062 0.000 0.985 391 E CA 1.212 57.583 56.400 -0.047 0.000 0.814 391 E CB -0.629 29.052 29.700 -0.032 0.000 0.752 391 E HN 0.210 nan 8.360 nan 0.000 0.466 392 A N 1.009 123.779 122.820 -0.083 0.000 1.968 392 A HA -0.112 4.208 4.320 0.000 0.000 0.217 392 A C 2.123 179.679 177.584 -0.046 0.000 1.169 392 A CA 0.859 52.856 52.037 -0.068 0.000 0.638 392 A CB -0.233 18.718 19.000 -0.081 0.000 0.812 392 A HN 0.082 nan 8.150 nan 0.000 0.446 393 R N -0.891 119.581 120.500 -0.048 0.000 2.115 393 R HA -0.041 4.299 4.340 0.000 0.000 0.226 393 R C 2.446 178.734 176.300 -0.021 0.000 1.100 393 R CA 1.246 57.331 56.100 -0.025 0.000 0.980 393 R CB -0.252 30.037 30.300 -0.018 0.000 0.875 393 R HN 0.589 nan 8.270 nan 0.000 0.445 394 R N 1.037 121.521 120.500 -0.026 0.000 2.075 394 R HA -0.077 4.263 4.340 0.000 0.000 0.232 394 R C 2.143 178.429 176.300 -0.023 0.000 1.126 394 R CA 1.492 57.579 56.100 -0.021 0.000 0.963 394 R CB -0.234 30.053 30.300 -0.021 0.000 0.858 394 R HN 0.178 nan 8.270 nan 0.000 0.435 395 A N 0.777 123.579 122.820 -0.031 0.000 1.933 395 A HA -0.103 4.217 4.320 0.000 0.000 0.218 395 A C 2.355 179.925 177.584 -0.022 0.000 1.175 395 A CA 1.679 53.697 52.037 -0.032 0.000 0.628 395 A CB -0.758 18.215 19.000 -0.044 0.000 0.814 395 A HN 0.571 nan 8.150 nan 0.000 0.444 396 A N -0.058 122.751 122.820 -0.018 0.000 1.873 396 A HA 0.175 4.495 4.320 0.000 0.000 0.215 396 A C 2.525 180.103 177.584 -0.010 0.000 1.186 396 A CA 2.052 54.083 52.037 -0.011 0.000 0.616 396 A CB -1.139 17.857 19.000 -0.007 0.000 0.823 396 A HN 1.130 nan 8.150 nan 0.000 0.442 397 A N -0.310 122.503 122.820 -0.010 0.000 1.978 397 A HA -0.185 4.135 4.320 0.000 0.000 0.220 397 A C 1.748 179.327 177.584 -0.009 0.000 1.170 397 A CA 1.729 53.761 52.037 -0.008 0.000 0.636 397 A CB -0.452 18.543 19.000 -0.008 0.000 0.810 397 A HN 0.654 nan 8.150 nan 0.000 0.448 398 E N -1.487 118.706 120.200 -0.011 0.000 2.465 398 E HA 0.299 4.649 4.350 0.000 0.000 0.191 398 E C 0.972 177.566 176.600 -0.011 0.000 1.053 398 E CA 0.159 56.552 56.400 -0.011 0.000 0.869 398 E CB -0.085 29.607 29.700 -0.014 0.000 0.977 398 E HN 0.691 nan 8.360 nan 0.000 0.483 399 G N 2.807 111.601 108.800 -0.010 0.000 2.225 399 G HA2 -0.364 3.596 3.960 0.000 0.000 0.267 399 G HA3 -0.364 3.596 3.960 0.000 0.000 0.267 399 G C 0.722 175.615 174.900 -0.011 0.000 1.024 399 G CA 0.945 46.039 45.100 -0.009 0.000 0.784 399 G HN 0.449 nan 8.290 nan 0.000 0.507 400 R N -1.017 119.474 120.500 -0.016 0.000 2.543 400 R HA 0.582 4.923 4.340 0.000 0.000 0.323 400 R C 0.974 177.259 176.300 -0.025 0.000 1.002 400 R CA 0.352 56.440 56.100 -0.020 0.000 1.106 400 R CB 0.618 30.903 30.300 -0.024 0.000 1.280 400 R HN 1.089 nan 8.270 nan 0.000 0.549 401 G N -0.997 107.791 108.800 -0.021 0.000 2.435 401 G HA2 0.458 4.418 3.960 0.000 0.000 0.228 401 G HA3 0.458 4.418 3.960 0.000 0.000 0.228 401 G C -0.373 174.523 174.900 -0.008 0.000 1.198 401 G CA -0.147 44.941 45.100 -0.019 0.000 0.948 401 G HN 0.474 nan 8.290 nan 0.000 0.487 402 G N -1.018 107.780 108.800 -0.004 0.000 2.253 402 G HA2 0.304 4.264 3.960 0.000 0.000 0.190 402 G HA3 0.304 4.264 3.960 0.000 0.000 0.190 402 G C -1.260 173.666 174.900 0.042 0.000 1.274 402 G CA -0.064 45.041 45.100 0.010 0.000 1.275 402 G HN 1.327 nan 8.290 nan 0.000 0.518 403 I N 1.202 121.811 120.570 0.064 0.000 2.534 403 I HA 0.506 4.676 4.170 0.000 0.000 0.288 403 I C -0.469 175.725 176.117 0.127 0.000 1.077 403 I CA -0.621 60.755 61.300 0.128 0.000 1.051 403 I CB 1.981 40.075 38.000 0.156 0.000 1.234 403 I HN 0.381 nan 8.210 nan 0.000 0.425 404 I N 5.160 125.831 120.570 0.169 0.000 2.392 404 I HA 0.338 4.508 4.170 0.000 0.000 0.295 404 I C -0.310 175.967 176.117 0.266 0.000 0.985 404 I CA -0.438 60.945 61.300 0.138 0.000 1.221 404 I CB 1.388 39.467 38.000 0.132 0.000 1.366 404 I HN 0.572 nan 8.210 nan 0.000 0.467 405 H N 6.279 125.368 119.070 0.031 0.000 2.800 405 H HA 0.368 4.925 4.556 0.000 0.000 0.322 405 H C -1.436 173.871 175.328 -0.036 0.000 0.979 405 H CA -0.795 55.327 56.048 0.124 0.000 1.277 405 H CB 1.106 30.969 29.762 0.168 0.000 1.484 405 H HN 0.400 nan 8.280 nan 0.000 0.512 406 F N 3.904 123.923 119.950 0.114 0.000 2.406 406 F HA 0.145 4.672 4.527 0.000 0.000 0.358 406 F C 0.286 175.980 175.800 -0.177 0.000 1.161 406 F CA -0.437 57.535 58.000 -0.045 0.000 1.185 406 F CB 0.633 39.624 39.000 -0.014 0.000 1.421 406 F HN 0.534 nan 8.300 nan 0.000 0.576 407 E N 1.725 121.775 120.200 -0.250 0.000 2.212 407 E HA 0.359 4.709 4.350 0.000 0.000 0.268 407 E C -0.155 176.371 176.600 -0.123 0.000 0.902 407 E CA -0.471 55.748 56.400 -0.302 0.000 0.779 407 E CB 2.062 31.362 29.700 -0.666 0.000 1.172 407 E HN 0.251 nan 8.360 nan 0.000 0.409 408 V N 2.755 122.631 119.914 -0.064 0.000 3.174 408 V HA 0.209 4.329 4.120 0.000 0.000 0.254 408 V C 0.326 176.402 176.094 -0.029 0.000 1.120 408 V CA 1.199 63.483 62.300 -0.027 0.000 1.114 408 V CB 0.368 32.188 31.823 -0.006 0.000 0.756 408 V HN 0.551 nan 8.190 nan 0.000 0.467 409 S N -0.296 115.379 115.700 -0.041 0.000 2.456 409 S HA 0.475 4.945 4.470 0.000 0.000 0.316 409 S C -1.692 172.892 174.600 -0.026 0.000 1.089 409 S CA -1.235 56.947 58.200 -0.029 0.000 1.101 409 S CB 1.710 64.892 63.200 -0.030 0.000 0.995 409 S HN 0.195 nan 8.310 nan 0.000 0.468 410 P HA -0.076 nan 4.420 nan 0.000 0.221 410 P C 0.709 178.009 177.300 0.001 0.000 1.145 410 P CA 1.067 64.163 63.100 -0.006 0.000 0.795 410 P CB 0.142 31.840 31.700 -0.003 0.000 0.775 411 K N -1.073 119.328 120.400 0.002 0.000 2.211 411 K HA -0.021 4.299 4.320 0.000 0.000 0.203 411 K C 0.977 177.589 176.600 0.020 0.000 1.050 411 K CA 0.890 57.183 56.287 0.009 0.000 0.945 411 K CB -0.332 32.172 32.500 0.006 0.000 0.732 411 K HN 0.161 nan 8.250 nan 0.000 0.451 412 N N 0.638 119.355 118.700 0.029 0.000 2.235 412 N HA 0.140 4.880 4.740 0.000 0.000 0.209 412 N C -0.161 175.429 175.510 0.134 0.000 1.122 412 N CA 0.192 53.292 53.050 0.082 0.000 0.845 412 N CB 0.559 39.109 38.487 0.105 0.000 1.004 412 N HN 0.123 nan 8.380 nan 0.000 0.499 413 I N 1.006 121.614 120.570 0.064 0.000 2.325 413 I HA 0.056 4.226 4.170 0.000 0.000 0.291 413 I C 0.115 176.267 176.117 0.058 0.000 1.019 413 I CA -0.205 61.142 61.300 0.078 0.000 1.302 413 I CB 0.309 38.318 38.000 0.016 0.000 1.401 413 I HN 0.119 nan 8.210 nan 0.000 0.485 414 N N 3.836 122.568 118.700 0.055 0.000 2.725 414 N HA -0.227 4.513 4.740 0.000 0.000 0.249 414 N C 1.109 176.600 175.510 -0.033 0.000 1.103 414 N CA 0.671 53.710 53.050 -0.019 0.000 0.707 414 N CB -0.597 37.886 38.487 -0.007 0.000 1.043 414 N HN 0.641 nan 8.380 nan 0.000 0.553 415 K N 0.039 120.423 120.400 -0.026 0.000 2.166 415 K HA 0.089 4.409 4.320 0.000 0.000 0.201 415 K C 1.287 177.855 176.600 -0.053 0.000 1.052 415 K CA 1.094 57.368 56.287 -0.022 0.000 0.969 415 K CB 0.461 32.968 32.500 0.012 0.000 0.761 415 K HN 0.155 nan 8.250 nan 0.000 0.459 416 V N -0.002 119.847 119.914 -0.109 0.000 2.806 416 V HA 0.121 4.241 4.120 0.000 0.000 0.239 416 V C 0.623 176.611 176.094 -0.176 0.000 1.113 416 V CA 0.194 62.415 62.300 -0.132 0.000 1.137 416 V CB 1.431 33.176 31.823 -0.130 0.000 0.865 416 V HN 0.107 nan 8.190 nan 0.000 0.482 417 V N 0.068 119.810 119.914 -0.288 0.000 2.962 417 V HA 0.475 4.595 4.120 0.000 0.000 0.313 417 V C -0.821 175.149 176.094 -0.206 0.000 1.099 417 V CA -0.659 61.504 62.300 -0.228 0.000 0.971 417 V CB 2.063 33.736 31.823 -0.251 0.000 1.028 417 V HN 0.504 nan 8.190 nan 0.000 0.430 418 Q N 2.857 122.592 119.800 -0.108 0.000 2.304 418 Q HA 0.440 4.780 4.340 0.000 0.000 0.260 418 Q C -0.299 175.659 176.000 -0.071 0.000 0.965 418 Q CA -0.070 55.689 55.803 -0.073 0.000 0.898 418 Q CB 1.072 29.788 28.738 -0.037 0.000 1.196 418 Q HN 0.979 nan 8.270 nan 0.000 0.402 419 T N 1.061 115.584 114.554 -0.053 0.000 2.918 419 T HA 0.265 4.615 4.350 0.000 0.000 0.286 419 T C 0.476 175.179 174.700 0.005 0.000 1.026 419 T CA -0.782 61.308 62.100 -0.017 0.000 1.031 419 T CB 1.701 70.580 68.868 0.018 0.000 1.046 419 T HN 0.581 nan 8.240 nan 0.000 0.479 420 Q N 0.797 120.605 119.800 0.013 0.000 2.137 420 Q HA 0.398 4.738 4.340 0.000 0.000 0.198 420 Q C 0.085 176.082 176.000 -0.004 0.000 0.960 420 Q CA 1.218 57.024 55.803 0.005 0.000 0.847 420 Q CB -0.063 28.678 28.738 0.005 0.000 0.915 420 Q HN 0.762 nan 8.270 nan 0.000 0.448 421 I N -0.200 120.364 120.570 -0.011 0.000 2.534 421 I HA 0.571 4.742 4.170 0.000 0.000 0.288 421 I C -1.311 174.762 176.117 -0.072 0.000 1.077 421 I CA -1.180 60.087 61.300 -0.056 0.000 1.051 421 I CB 2.270 40.214 38.000 -0.094 0.000 1.234 421 I HN -0.175 nan 8.210 nan 0.000 0.425 422 A N 6.179 128.945 122.820 -0.090 0.000 2.285 422 A HA 0.689 5.009 4.320 0.000 0.000 0.310 422 A C -0.634 176.814 177.584 -0.227 0.000 1.266 422 A CA -0.495 51.477 52.037 -0.110 0.000 0.832 422 A CB 0.976 19.963 19.000 -0.022 0.000 1.163 422 A HN 0.446 nan 8.150 nan 0.000 0.499 423 V N 4.106 123.777 119.914 -0.406 0.000 2.339 423 V HA 0.118 4.238 4.120 0.000 0.000 0.261 423 V C 0.364 176.307 176.094 -0.251 0.000 1.058 423 V CA -0.218 61.811 62.300 -0.451 0.000 0.897 423 V CB 0.075 31.370 31.823 -0.881 0.000 1.052 423 V HN 0.940 nan 8.190 nan 0.000 0.480 424 E N 3.311 123.430 120.200 -0.135 0.000 2.373 424 E HA 0.545 4.896 4.350 0.000 0.000 0.267 424 E C 0.804 177.397 176.600 -0.011 0.000 1.032 424 E CA 0.727 57.100 56.400 -0.045 0.000 0.889 424 E CB 1.092 30.815 29.700 0.039 0.000 0.984 424 E HN 0.946 nan 8.360 nan 0.000 0.425 425 G N 2.669 111.472 108.800 0.005 0.000 2.352 425 G HA2 -0.192 3.768 3.960 0.000 0.000 0.324 425 G HA3 -0.192 3.768 3.960 0.000 0.000 0.324 425 G C -1.276 173.653 174.900 0.047 0.000 1.249 425 G CA -0.617 44.501 45.100 0.030 0.000 1.053 425 G HN 0.657 nan 8.290 nan 0.000 0.492 426 D N 0.765 121.201 120.400 0.061 0.000 2.343 426 D HA 0.620 5.260 4.640 0.000 0.000 0.255 426 D C 1.445 177.791 176.300 0.076 0.000 1.187 426 D CA 1.141 55.184 54.000 0.072 0.000 0.875 426 D CB 1.157 42.015 40.800 0.097 0.000 1.136 426 D HN 0.987 nan 8.370 nan 0.000 0.469 427 A N 3.322 126.184 122.820 0.070 0.000 1.869 427 A HA -0.255 4.065 4.320 0.000 0.000 0.218 427 A C 2.159 179.703 177.584 -0.068 0.000 1.203 427 A CA 2.250 54.314 52.037 0.046 0.000 0.638 427 A CB -1.186 17.809 19.000 -0.009 0.000 0.831 427 A HN 0.692 nan 8.150 nan 0.000 0.450 428 T N -0.100 114.390 114.554 -0.107 0.000 2.624 428 T HA -0.185 4.165 4.350 0.000 0.000 0.268 428 T C 2.001 176.574 174.700 -0.213 0.000 1.041 428 T CA 2.177 64.141 62.100 -0.226 0.000 1.159 428 T CB -0.845 67.766 68.868 -0.429 0.000 0.863 428 T HN 0.609 nan 8.240 nan 0.000 0.434 429 T N 2.520 116.990 114.554 -0.141 0.000 2.684 429 T HA -0.124 4.226 4.350 0.000 0.000 0.267 429 T C 1.981 176.672 174.700 -0.015 0.000 1.036 429 T CA 1.181 63.244 62.100 -0.062 0.000 1.148 429 T CB -0.377 68.506 68.868 0.024 0.000 0.863 429 T HN 0.347 nan 8.240 nan 0.000 0.436 430 N N 1.011 119.735 118.700 0.039 0.000 2.331 430 N HA 0.097 4.837 4.740 0.000 0.000 0.180 430 N C 1.836 177.400 175.510 0.090 0.000 1.019 430 N CA 0.520 53.641 53.050 0.119 0.000 0.881 430 N CB -0.320 38.333 38.487 0.275 0.000 0.972 430 N HN 0.360 nan 8.380 nan 0.000 0.435 431 L N 0.176 121.358 121.223 -0.067 0.000 2.093 431 L HA -0.026 4.314 4.340 0.000 0.000 0.208 431 L C 2.376 179.201 176.870 -0.075 0.000 1.085 431 L CA 1.079 55.824 54.840 -0.160 0.000 0.755 431 L CB -0.725 41.169 42.059 -0.275 0.000 0.904 431 L HN 0.181 nan 8.230 nan 0.000 0.435 432 G N 0.021 108.780 108.800 -0.070 0.000 2.422 432 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 432 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 432 G C 1.693 176.585 174.900 -0.015 0.000 1.146 432 G CA 0.413 45.485 45.100 -0.046 0.000 0.769 432 G HN 0.299 nan 8.290 nan 0.000 0.547 433 K N -0.584 119.816 120.400 0.001 0.000 2.155 433 K HA 0.156 4.476 4.320 0.000 0.000 0.203 433 K C 2.373 178.982 176.600 0.015 0.000 1.052 433 K CA 0.835 57.130 56.287 0.012 0.000 0.948 433 K CB -0.166 32.345 32.500 0.019 0.000 0.728 433 K HN 0.310 nan 8.250 nan 0.000 0.448 434 M N 0.317 119.934 119.600 0.028 0.000 2.349 434 M HA -0.089 4.391 4.480 0.000 0.000 0.266 434 M C 2.079 178.383 176.300 0.005 0.000 1.076 434 M CA 0.935 56.253 55.300 0.029 0.000 1.126 434 M CB 0.067 32.721 32.600 0.089 0.000 1.392 434 M HN 0.096 nan 8.290 nan 0.000 0.440 435 M N 0.732 120.332 119.600 -0.001 0.000 2.151 435 M HA -0.283 4.197 4.480 0.000 0.000 0.256 435 M C 2.223 178.528 176.300 0.009 0.000 1.072 435 M CA 2.799 58.099 55.300 -0.001 0.000 1.090 435 M CB -0.416 32.184 32.600 -0.001 0.000 1.294 435 M HN 0.517 nan 8.290 nan 0.000 0.415 436 S N -0.905 114.803 115.700 0.015 0.000 2.462 436 S HA -0.191 4.279 4.470 0.000 0.000 0.243 436 S C 1.637 176.255 174.600 0.030 0.000 1.003 436 S CA 1.519 59.736 58.200 0.029 0.000 0.970 436 S CB -0.767 62.449 63.200 0.027 0.000 0.762 436 S HN 0.618 nan 8.310 nan 0.000 0.510 437 K N 0.200 120.595 120.400 -0.007 0.000 2.393 437 K HA 0.263 4.583 4.320 0.000 0.000 0.193 437 K C -0.223 176.269 176.600 -0.179 0.000 1.026 437 K CA -0.045 56.207 56.287 -0.058 0.000 1.064 437 K CB 0.124 32.583 32.500 -0.069 0.000 0.833 437 K HN 0.365 nan 8.250 nan 0.000 0.521 438 I N 1.723 122.234 120.570 -0.099 0.000 2.395 438 I HA 0.139 4.310 4.170 0.000 0.000 0.289 438 I C 0.232 176.363 176.117 0.022 0.000 1.023 438 I CA -0.552 60.672 61.300 -0.126 0.000 1.350 438 I CB -0.070 37.911 38.000 -0.032 0.000 1.409 438 I HN -0.066 nan 8.210 nan 0.000 0.507 439 F N 6.612 126.574 119.950 0.020 0.000 2.456 439 F HA 0.242 4.769 4.527 0.000 0.000 0.358 439 F C -1.653 174.157 175.800 0.017 0.000 1.095 439 F CA -1.995 56.013 58.000 0.015 0.000 1.216 439 F CB 0.582 39.588 39.000 0.009 0.000 1.125 439 F HN 0.228 nan 8.300 nan 0.000 0.549 440 P HA 0.063 nan 4.420 nan 0.000 0.271 440 P C -0.902 176.460 177.300 0.103 0.000 1.220 440 P CA -0.028 63.145 63.100 0.123 0.000 0.768 440 P CB 0.919 32.670 31.700 0.086 0.000 0.848 441 V N 4.774 124.738 119.914 0.082 0.000 2.398 441 V HA 0.165 4.286 4.120 0.000 0.000 0.286 441 V C 1.613 177.724 176.094 0.027 0.000 1.026 441 V CA -0.219 62.113 62.300 0.053 0.000 0.868 441 V CB 1.411 33.263 31.823 0.049 0.000 0.982 441 V HN 0.577 nan 8.190 nan 0.000 0.443 442 K N 3.227 123.631 120.400 0.008 0.000 2.001 442 K HA -0.074 4.246 4.320 0.000 0.000 0.208 442 K C 0.358 176.944 176.600 -0.024 0.000 1.048 442 K CA 1.767 58.053 56.287 -0.002 0.000 0.932 442 K CB 0.374 32.868 32.500 -0.009 0.000 0.715 442 K HN 0.914 nan 8.250 nan 0.000 0.437 443 E N -1.913 118.249 120.200 -0.063 0.000 2.422 443 E HA 0.280 4.630 4.350 0.000 0.000 0.280 443 E C -1.198 175.270 176.600 -0.219 0.000 1.091 443 E CA -0.876 55.439 56.400 -0.142 0.000 0.849 443 E CB 0.857 30.498 29.700 -0.097 0.000 1.353 443 E HN 0.082 nan 8.360 nan 0.000 0.449 444 R N 0.762 121.001 120.500 -0.435 0.000 2.638 444 R HA 0.341 4.681 4.340 0.000 0.000 0.269 444 R C -0.021 176.082 176.300 -0.327 0.000 1.393 444 R CA -0.110 55.757 56.100 -0.387 0.000 1.531 444 R CB 0.673 30.692 30.300 -0.469 0.000 1.327 444 R HN 0.555 nan 8.270 nan 0.000 0.709 445 S N 1.123 116.729 115.700 -0.157 0.000 2.368 445 S HA -0.224 4.246 4.470 0.000 0.000 0.226 445 S C 1.701 176.323 174.600 0.036 0.000 1.044 445 S CA 1.318 59.496 58.200 -0.036 0.000 1.062 445 S CB 0.066 63.255 63.200 -0.018 0.000 0.931 445 S HN 0.436 nan 8.310 nan 0.000 0.440 446 E N 0.419 120.646 120.200 0.044 0.000 2.021 446 E HA -0.186 4.164 4.350 0.000 0.000 0.200 446 E C 1.706 178.423 176.600 0.196 0.000 1.015 446 E CA 1.073 57.526 56.400 0.088 0.000 0.824 446 E CB -0.616 29.129 29.700 0.074 0.000 0.762 446 E HN 0.732 nan 8.360 nan 0.000 0.454 447 W N 0.386 121.681 121.300 -0.009 0.000 2.318 447 W HA -0.236 4.425 4.660 0.000 0.000 0.313 447 W C 2.221 178.878 176.519 0.230 0.000 1.221 447 W CA 1.003 58.396 57.345 0.080 0.000 1.266 447 W CB -0.447 29.074 29.460 0.102 0.000 1.150 447 W HN 0.055 nan 8.180 nan 0.000 0.496 448 F N 0.288 120.234 119.950 -0.007 0.000 2.186 448 F HA -0.190 4.338 4.527 0.000 0.000 0.299 448 F C 2.679 178.379 175.800 -0.167 0.000 1.090 448 F CA 0.628 58.534 58.000 -0.157 0.000 1.307 448 F CB -0.734 38.233 39.000 -0.053 0.000 1.019 448 F HN -0.081 nan 8.300 nan 0.000 0.489 449 A N -0.001 122.872 122.820 0.089 0.000 1.877 449 A HA -0.288 4.032 4.320 0.000 0.000 0.216 449 A C 1.969 179.459 177.584 -0.156 0.000 1.186 449 A CA 1.862 53.887 52.037 -0.020 0.000 0.620 449 A CB -0.849 18.148 19.000 -0.006 0.000 0.822 449 A HN 0.356 nan 8.150 nan 0.000 0.443 450 Q N 0.293 119.962 119.800 -0.219 0.000 2.050 450 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 450 Q C 1.707 177.212 176.000 -0.825 0.000 0.980 450 Q CA 2.067 57.553 55.803 -0.529 0.000 0.840 450 Q CB -0.553 27.914 28.738 -0.451 0.000 0.898 450 Q HN 0.673 nan 8.270 nan 0.000 0.424 451 I N 0.533 120.748 120.570 -0.592 0.000 2.286 451 I HA -0.254 3.916 4.170 0.000 0.000 0.248 451 I C 1.680 177.699 176.117 -0.164 0.000 1.115 451 I CA 0.949 62.035 61.300 -0.357 0.000 1.392 451 I CB -0.359 37.369 38.000 -0.453 0.000 1.065 451 I HN 0.279 nan 8.210 nan 0.000 0.418 452 N N 1.177 119.769 118.700 -0.180 0.000 2.270 452 N HA -0.141 4.599 4.740 0.000 0.000 0.181 452 N C 2.070 177.538 175.510 -0.071 0.000 1.016 452 N CA 1.594 54.585 53.050 -0.098 0.000 0.870 452 N CB -0.213 38.229 38.487 -0.076 0.000 0.979 452 N HN 0.390 nan 8.380 nan 0.000 0.431 453 K N 0.790 121.104 120.400 -0.142 0.000 2.057 453 K HA -0.083 4.237 4.320 0.000 0.000 0.206 453 K C 1.820 178.438 176.600 0.030 0.000 1.050 453 K CA 0.959 57.182 56.287 -0.107 0.000 0.935 453 K CB -1.223 31.157 32.500 -0.200 0.000 0.715 453 K HN 0.204 nan 8.250 nan 0.000 0.439 454 W N 1.411 122.728 121.300 0.029 0.000 2.363 454 W HA -0.008 4.652 4.660 0.000 0.000 0.296 454 W C 2.068 178.636 176.519 0.081 0.000 1.212 454 W CA 1.043 58.466 57.345 0.130 0.000 1.260 454 W CB -0.352 29.188 29.460 0.132 0.000 1.131 454 W HN 0.372 nan 8.180 nan 0.000 0.530 455 K N 0.405 120.934 120.400 0.215 0.000 2.057 455 K HA -0.171 4.149 4.320 0.000 0.000 0.207 455 K C 2.432 179.059 176.600 0.046 0.000 1.049 455 K CA 2.298 58.638 56.287 0.088 0.000 0.931 455 K CB -0.369 32.140 32.500 0.015 0.000 0.714 455 K HN 0.096 nan 8.250 nan 0.000 0.440 456 K N 1.590 122.005 120.400 0.024 0.000 2.155 456 K HA -0.143 4.177 4.320 0.000 0.000 0.203 456 K C 1.771 178.346 176.600 -0.042 0.000 1.052 456 K CA 1.627 57.908 56.287 -0.009 0.000 0.948 456 K CB -0.458 32.030 32.500 -0.020 0.000 0.728 456 K HN 0.334 nan 8.250 nan 0.000 0.448 457 E N -1.544 118.606 120.200 -0.083 0.000 2.112 457 E HA -0.004 4.346 4.350 0.000 0.000 0.190 457 E C -0.272 176.058 176.600 -0.450 0.000 0.979 457 E CA 0.526 56.738 56.400 -0.313 0.000 0.814 457 E CB 0.144 29.555 29.700 -0.481 0.000 0.762 457 E HN 0.755 nan 8.360 nan 0.000 0.460 458 Y N 1.150 121.494 120.300 0.073 0.000 2.638 458 Y HA 0.315 4.865 4.550 0.000 0.000 0.367 458 Y C -2.189 173.674 175.900 -0.063 0.000 1.001 458 Y CA -2.251 55.858 58.100 0.016 0.000 1.133 458 Y CB 0.717 39.142 38.460 -0.058 0.000 1.199 458 Y HN 0.071 nan 8.280 nan 0.000 0.642 459 P HA 0.072 nan 4.420 nan 0.000 0.278 459 P C -0.564 176.792 177.300 0.094 0.000 1.266 459 P CA -0.461 62.651 63.100 0.020 0.000 0.807 459 P CB 1.167 32.902 31.700 0.058 0.000 1.094 460 Y N 0.062 120.442 120.300 0.133 0.000 2.790 460 Y HA 0.183 4.734 4.550 0.000 0.000 0.348 460 Y C 1.455 177.526 175.900 0.285 0.000 1.183 460 Y CA -0.799 57.402 58.100 0.169 0.000 2.002 460 Y CB -0.783 37.709 38.460 0.052 0.000 2.086 460 Y HN 0.332 nan 8.280 nan 0.000 0.412 461 A N 2.645 125.665 122.820 0.334 0.000 2.332 461 A HA 0.546 4.866 4.320 0.000 0.000 0.258 461 A C -0.681 176.795 177.584 -0.180 0.000 1.087 461 A CA -0.096 52.029 52.037 0.148 0.000 0.802 461 A CB 0.239 19.377 19.000 0.229 0.000 1.042 461 A HN 0.713 nan 8.150 nan 0.000 0.489 462 Y N -1.983 117.825 120.300 -0.820 0.000 2.741 462 Y HA 0.571 5.121 4.550 0.000 0.000 0.339 462 Y C -0.795 174.533 175.900 -0.953 0.000 1.226 462 Y CA -1.508 55.749 58.100 -1.405 0.000 1.072 462 Y CB 0.905 39.000 38.460 -0.608 0.000 1.331 462 Y HN 0.555 nan 8.280 nan 0.000 0.453 463 M N 3.432 122.739 119.600 -0.489 0.000 2.429 463 M HA 0.219 4.699 4.480 0.000 0.000 0.334 463 M C -0.599 175.620 176.300 -0.135 0.000 1.560 463 M CA 0.433 55.719 55.300 -0.023 0.000 1.291 463 M CB -0.325 32.410 32.600 0.224 0.000 1.754 463 M HN 0.628 nan 8.290 nan 0.000 0.456 464 E N 2.234 122.236 120.200 -0.329 0.000 2.397 464 E HA 0.109 4.459 4.350 0.000 0.000 0.254 464 E C -0.306 176.248 176.600 -0.077 0.000 1.231 464 E CA -0.575 55.666 56.400 -0.265 0.000 0.954 464 E CB 0.339 29.836 29.700 -0.339 0.000 1.024 464 E HN 0.503 nan 8.360 nan 0.000 0.481 465 E N 0.875 121.047 120.200 -0.046 0.000 2.437 465 E HA 0.039 4.389 4.350 0.000 0.000 0.263 465 E C -0.314 176.271 176.600 -0.026 0.000 1.030 465 E CA 0.450 56.835 56.400 -0.025 0.000 0.934 465 E CB 0.511 30.195 29.700 -0.026 0.000 0.943 465 E HN 0.466 nan 8.360 nan 0.000 0.444 466 T N -0.610 113.938 114.554 -0.011 0.000 2.906 466 T HA 0.579 4.929 4.350 0.000 0.000 0.295 466 T C -2.696 172.001 174.700 -0.005 0.000 1.075 466 T CA -2.720 59.376 62.100 -0.007 0.000 1.005 466 T CB 1.541 70.411 68.868 0.005 0.000 1.136 466 T HN 0.038 nan 8.240 nan 0.000 0.498 467 P HA 0.248 nan 4.420 nan 0.000 0.258 467 P C 1.205 178.504 177.300 -0.001 0.000 1.172 467 P CA 1.547 64.644 63.100 -0.005 0.000 0.762 467 P CB -0.085 31.612 31.700 -0.004 0.000 0.764 468 G N 2.302 111.100 108.800 -0.002 0.000 2.234 468 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 468 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 468 G C 0.524 175.426 174.900 0.004 0.000 0.987 468 G CA 0.384 45.484 45.100 0.000 0.000 0.625 468 G HN 0.797 nan 8.290 nan 0.000 0.532 469 S N 0.116 115.819 115.700 0.006 0.000 2.600 469 S HA 0.595 5.065 4.470 0.000 0.000 0.265 469 S C 0.517 175.121 174.600 0.006 0.000 1.325 469 S CA 0.174 58.381 58.200 0.011 0.000 1.002 469 S CB 1.383 64.592 63.200 0.015 0.000 0.921 469 S HN 0.525 nan 8.310 nan 0.000 0.554 470 K N 0.302 120.708 120.400 0.011 0.000 2.180 470 K HA 0.311 4.631 4.320 0.000 0.000 0.251 470 K C 0.020 176.614 176.600 -0.010 0.000 1.014 470 K CA -0.322 55.968 56.287 0.004 0.000 0.913 470 K CB 0.233 32.742 32.500 0.015 0.000 1.008 470 K HN 0.560 nan 8.250 nan 0.000 0.490 471 I N 2.401 122.957 120.570 -0.023 0.000 2.692 471 I HA -0.052 4.118 4.170 0.000 0.000 0.284 471 I C 0.453 176.530 176.117 -0.067 0.000 1.159 471 I CA 0.142 61.416 61.300 -0.043 0.000 1.423 471 I CB 0.344 38.312 38.000 -0.052 0.000 1.380 471 I HN 0.211 nan 8.210 nan 0.000 0.580 472 K N 8.375 128.722 120.400 -0.087 0.000 2.227 472 K HA 0.245 4.566 4.320 0.000 0.000 0.280 472 K C -1.558 174.860 176.600 -0.302 0.000 1.041 472 K CA -2.225 53.967 56.287 -0.158 0.000 0.905 472 K CB 0.867 33.331 32.500 -0.060 0.000 1.068 472 K HN 0.275 nan 8.250 nan 0.000 0.470 473 P HA -0.248 nan 4.420 nan 0.000 0.216 473 P C 0.645 177.575 177.300 -0.617 0.000 1.157 473 P CA 1.665 64.472 63.100 -0.488 0.000 0.880 473 P CB 0.452 31.758 31.700 -0.658 0.000 0.791 474 Q N -0.508 118.639 119.800 -1.088 0.000 2.096 474 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 474 Q C 2.399 177.911 176.000 -0.814 0.000 0.982 474 Q CA 2.324 57.388 55.803 -1.232 0.000 0.850 474 Q CB -1.683 25.698 28.738 -2.261 0.000 0.901 474 Q HN 0.266 nan 8.270 nan 0.000 0.422 475 T N 0.107 114.335 114.554 -0.544 0.000 2.788 475 T HA -0.117 4.233 4.350 0.000 0.000 0.268 475 T C 1.890 176.477 174.700 -0.188 0.000 1.044 475 T CA 1.263 63.228 62.100 -0.226 0.000 1.139 475 T CB -0.260 68.562 68.868 -0.076 0.000 0.867 475 T HN 0.063 nan 8.240 nan 0.000 0.454 476 V N 1.883 121.684 119.914 -0.188 0.000 2.295 476 V HA -0.147 3.973 4.120 0.000 0.000 0.246 476 V C 2.493 178.547 176.094 -0.065 0.000 1.049 476 V CA 1.205 63.440 62.300 -0.108 0.000 1.024 476 V CB -0.608 31.160 31.823 -0.091 0.000 0.648 476 V HN 0.424 nan 8.190 nan 0.000 0.447 477 I N 0.140 120.674 120.570 -0.060 0.000 2.127 477 I HA -0.247 3.923 4.170 0.000 0.000 0.241 477 I C 2.467 178.544 176.117 -0.067 0.000 1.075 477 I CA 1.781 63.111 61.300 0.050 0.000 1.334 477 I CB -1.327 36.747 38.000 0.123 0.000 1.040 477 I HN 0.362 nan 8.210 nan 0.000 0.405 478 K N 0.812 121.127 120.400 -0.140 0.000 2.044 478 K HA -0.210 4.110 4.320 0.000 0.000 0.210 478 K C 2.142 178.621 176.600 -0.200 0.000 1.049 478 K CA 1.574 57.758 56.287 -0.171 0.000 0.927 478 K CB -0.121 32.293 32.500 -0.143 0.000 0.713 478 K HN 0.363 nan 8.250 nan 0.000 0.443 479 K N 0.501 120.812 120.400 -0.148 0.000 2.025 479 K HA -0.130 4.190 4.320 0.000 0.000 0.207 479 K C 2.134 178.650 176.600 -0.140 0.000 1.049 479 K CA 0.872 57.083 56.287 -0.127 0.000 0.933 479 K CB -0.269 32.181 32.500 -0.083 0.000 0.714 479 K HN 0.016 nan 8.250 nan 0.000 0.438 480 L N 1.496 122.661 121.223 -0.096 0.000 2.079 480 L HA -0.173 4.167 4.340 0.000 0.000 0.210 480 L C 2.400 179.100 176.870 -0.285 0.000 1.081 480 L CA 1.700 56.520 54.840 -0.033 0.000 0.752 480 L CB -0.850 41.309 42.059 0.166 0.000 0.896 480 L HN 0.083 nan 8.230 nan 0.000 0.433 481 S N -0.852 114.442 115.700 -0.675 0.000 2.374 481 S HA -0.297 4.173 4.470 0.000 0.000 0.227 481 S C 2.230 176.349 174.600 -0.801 0.000 1.037 481 S CA 1.946 59.260 58.200 -1.477 0.000 1.024 481 S CB -0.333 62.024 63.200 -1.406 0.000 0.861 481 S HN 0.573 nan 8.310 nan 0.000 0.456 482 K N 0.119 120.242 120.400 -0.462 0.000 2.031 482 K HA -0.029 4.291 4.320 0.000 0.000 0.205 482 K C 2.049 178.534 176.600 -0.192 0.000 1.049 482 K CA 1.495 57.610 56.287 -0.286 0.000 0.939 482 K CB -0.355 32.025 32.500 -0.200 0.000 0.717 482 K HN 0.313 nan 8.250 nan 0.000 0.438 483 V N 1.593 121.421 119.914 -0.144 0.000 2.287 483 V HA -0.295 3.825 4.120 0.000 0.000 0.248 483 V C 2.480 178.545 176.094 -0.049 0.000 1.053 483 V CA 2.144 64.404 62.300 -0.067 0.000 1.027 483 V CB -0.832 30.982 31.823 -0.016 0.000 0.646 483 V HN 0.484 nan 8.190 nan 0.000 0.447 484 A N 0.431 123.223 122.820 -0.046 0.000 1.877 484 A HA -0.312 4.008 4.320 0.000 0.000 0.216 484 A C 2.080 179.663 177.584 -0.002 0.000 1.186 484 A CA 2.441 54.497 52.037 0.031 0.000 0.620 484 A CB -0.935 18.184 19.000 0.198 0.000 0.822 484 A HN 0.665 nan 8.150 nan 0.000 0.443 485 N N 0.203 118.849 118.700 -0.089 0.000 2.120 485 N HA -0.163 4.577 4.740 0.000 0.000 0.188 485 N C 0.871 176.353 175.510 -0.048 0.000 1.024 485 N CA 1.750 54.755 53.050 -0.075 0.000 0.852 485 N CB -0.316 38.073 38.487 -0.164 0.000 1.003 485 N HN 0.353 nan 8.380 nan 0.000 0.424 486 D N -1.089 119.274 120.400 -0.061 0.000 2.403 486 D HA -0.094 4.546 4.640 0.000 0.000 0.227 486 D C 1.479 177.768 176.300 -0.018 0.000 0.995 486 D CA 1.170 55.146 54.000 -0.041 0.000 0.928 486 D CB -0.503 40.269 40.800 -0.047 0.000 0.887 486 D HN 0.595 nan 8.370 nan 0.000 0.529 487 T N -3.615 110.935 114.554 -0.008 0.000 3.067 487 T HA 0.182 4.532 4.350 0.000 0.000 0.261 487 T C 1.820 176.528 174.700 0.014 0.000 1.110 487 T CA 0.858 62.960 62.100 0.004 0.000 1.113 487 T CB 0.155 69.028 68.868 0.009 0.000 0.917 487 T HN 0.173 nan 8.240 nan 0.000 0.499 488 G N 1.792 110.602 108.800 0.017 0.000 2.189 488 G HA2 -0.291 3.669 3.960 0.000 0.000 0.267 488 G HA3 -0.291 3.669 3.960 0.000 0.000 0.267 488 G C 0.254 175.185 174.900 0.051 0.000 0.975 488 G CA 0.296 45.413 45.100 0.029 0.000 0.644 488 G HN 0.720 nan 8.290 nan 0.000 0.537 489 R N -0.284 120.250 120.500 0.057 0.000 2.546 489 R HA 0.476 4.816 4.340 0.000 0.000 0.266 489 R C 0.351 176.728 176.300 0.129 0.000 1.086 489 R CA -0.755 55.396 56.100 0.084 0.000 1.160 489 R CB 0.583 30.921 30.300 0.064 0.000 1.138 489 R HN 0.403 nan 8.270 nan 0.000 0.567 490 H N 0.916 120.021 119.070 0.058 0.000 2.767 490 H HA 0.167 4.723 4.556 0.000 0.000 0.316 490 H C -1.011 174.373 175.328 0.093 0.000 1.059 490 H CA -0.218 55.876 56.048 0.077 0.000 1.461 490 H CB 0.741 30.543 29.762 0.067 0.000 1.475 490 H HN 0.084 nan 8.280 nan 0.000 0.531 491 V N 7.944 127.680 119.914 -0.296 0.000 2.459 491 V HA 0.295 4.415 4.120 0.000 0.000 0.295 491 V C 0.262 176.208 176.094 -0.246 0.000 1.029 491 V CA -0.631 61.578 62.300 -0.150 0.000 0.874 491 V CB 1.591 33.470 31.823 0.093 0.000 0.985 491 V HN 0.626 nan 8.190 nan 0.000 0.438 492 I N 4.679 125.175 120.570 -0.124 0.000 2.465 492 I HA 0.528 4.698 4.170 0.000 0.000 0.291 492 I C -0.825 175.278 176.117 -0.023 0.000 1.014 492 I CA -0.810 60.459 61.300 -0.052 0.000 1.093 492 I CB 2.238 40.233 38.000 -0.008 0.000 1.267 492 I HN 0.263 nan 8.210 nan 0.000 0.431 493 V N 4.555 124.481 119.914 0.020 0.000 2.495 493 V HA 0.541 4.661 4.120 0.000 0.000 0.298 493 V C 0.172 176.315 176.094 0.081 0.000 1.031 493 V CA -0.412 61.895 62.300 0.013 0.000 0.871 493 V CB 2.014 33.788 31.823 -0.081 0.000 0.988 493 V HN 0.881 nan 8.190 nan 0.000 0.432 494 T N 0.753 115.326 114.554 0.031 0.000 2.942 494 T HA 0.912 5.262 4.350 0.000 0.000 0.289 494 T C -0.263 174.471 174.700 0.056 0.000 1.044 494 T CA -0.352 61.736 62.100 -0.020 0.000 1.023 494 T CB 2.182 71.003 68.868 -0.079 0.000 1.123 494 T HN 0.892 nan 8.240 nan 0.000 0.512 495 T N -1.766 112.826 114.554 0.064 0.000 2.787 495 T HA 0.781 5.131 4.350 0.000 0.000 0.297 495 T C 0.476 175.301 174.700 0.207 0.000 1.221 495 T CA -0.386 61.817 62.100 0.172 0.000 1.006 495 T CB 1.274 70.265 68.868 0.206 0.000 1.328 495 T HN 1.027 nan 8.240 nan 0.000 0.509 496 G N -0.342 108.696 108.800 0.397 0.000 2.630 496 G HA2 0.605 4.565 3.960 0.000 0.000 0.223 496 G HA3 0.605 4.565 3.960 0.000 0.000 0.223 496 G C -1.017 174.001 174.900 0.196 0.000 1.434 496 G CA -0.712 44.588 45.100 0.334 0.000 1.057 496 G HN 0.909 nan 8.290 nan 0.000 0.570 497 V N 0.033 120.028 119.914 0.135 0.000 2.487 497 V HA 0.810 4.930 4.120 0.000 0.000 0.298 497 V C 0.671 176.696 176.094 -0.115 0.000 1.028 497 V CA 0.694 62.949 62.300 -0.076 0.000 0.860 497 V CB 0.602 32.381 31.823 -0.073 0.000 0.991 497 V HN 1.666 nan 8.190 nan 0.000 0.427 498 G N 3.578 112.182 108.800 -0.328 0.000 2.320 498 G HA2 0.005 3.965 3.960 0.000 0.000 0.274 498 G HA3 0.005 3.965 3.960 0.000 0.000 0.274 498 G C 0.032 174.632 174.900 -0.500 0.000 1.324 498 G CA -0.033 44.890 45.100 -0.295 0.000 0.957 498 G HN 0.430 nan 8.290 nan 0.000 0.481 499 Q N -0.803 118.717 119.800 -0.467 0.000 2.061 499 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 499 Q C 2.231 177.719 176.000 -0.853 0.000 0.984 499 Q CA 2.569 57.844 55.803 -0.879 0.000 0.846 499 Q CB -0.341 27.802 28.738 -0.992 0.000 0.902 499 Q HN 0.863 nan 8.270 nan 0.000 0.421 500 H N -0.127 118.812 119.070 -0.218 0.000 2.422 500 H HA -0.158 4.398 4.556 0.000 0.000 0.298 500 H C 2.002 177.377 175.328 0.079 0.000 1.098 500 H CA 1.589 57.713 56.048 0.127 0.000 1.315 500 H CB -0.366 29.477 29.762 0.135 0.000 1.382 500 H HN 0.286 nan 8.280 nan 0.000 0.523 501 Q N 0.046 119.413 119.800 -0.722 0.000 2.046 501 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 501 Q C 1.731 177.662 176.000 -0.115 0.000 0.975 501 Q CA 1.634 57.244 55.803 -0.322 0.000 0.836 501 Q CB 0.073 28.551 28.738 -0.433 0.000 0.896 501 Q HN 0.444 nan 8.270 nan 0.000 0.428 502 M N -0.757 118.661 119.600 -0.303 0.000 2.175 502 M HA -0.144 4.336 4.480 0.000 0.000 0.264 502 M C 1.752 177.951 176.300 -0.170 0.000 1.063 502 M CA 1.010 56.143 55.300 -0.278 0.000 1.119 502 M CB -1.184 31.097 32.600 -0.532 0.000 1.377 502 M HN 0.394 nan 8.290 nan 0.000 0.415 503 W N 0.468 121.717 121.300 -0.084 0.000 2.402 503 W HA 0.057 4.717 4.660 0.000 0.000 0.286 503 W C 2.618 179.163 176.519 0.042 0.000 1.221 503 W CA 1.265 58.590 57.345 -0.034 0.000 1.257 503 W CB -1.330 28.129 29.460 -0.002 0.000 1.120 503 W HN 0.284 nan 8.180 nan 0.000 0.551 504 A N 0.645 123.648 122.820 0.305 0.000 1.902 504 A HA -0.024 4.296 4.320 0.000 0.000 0.217 504 A C 2.257 180.011 177.584 0.284 0.000 1.181 504 A CA 2.667 54.894 52.037 0.318 0.000 0.623 504 A CB -1.054 18.155 19.000 0.348 0.000 0.818 504 A HN 0.104 nan 8.150 nan 0.000 0.443 505 A N -0.555 122.375 122.820 0.183 0.000 1.858 505 A HA -0.220 4.100 4.320 0.000 0.000 0.216 505 A C 2.166 179.859 177.584 0.181 0.000 1.190 505 A CA 1.729 53.835 52.037 0.116 0.000 0.617 505 A CB -0.637 18.409 19.000 0.076 0.000 0.827 505 A HN 0.659 nan 8.150 nan 0.000 0.443 506 Q N -1.266 118.475 119.800 -0.099 0.000 2.016 506 Q HA -0.136 4.204 4.340 0.000 0.000 0.200 506 Q C 1.740 177.473 176.000 -0.446 0.000 0.978 506 Q CA 1.419 56.896 55.803 -0.543 0.000 0.833 506 Q CB -0.266 27.694 28.738 -1.298 0.000 0.895 506 Q HN 0.778 nan 8.270 nan 0.000 0.427 507 H N -1.735 117.287 119.070 -0.080 0.000 2.539 507 H HA 0.016 4.572 4.556 0.000 0.000 0.267 507 H C 0.119 175.398 175.328 -0.082 0.000 0.982 507 H CA 0.075 56.091 56.048 -0.054 0.000 1.146 507 H CB 0.122 29.822 29.762 -0.103 0.000 1.382 507 H HN 0.285 nan 8.280 nan 0.000 0.577 508 W N 2.155 123.301 121.300 -0.257 0.000 2.381 508 W HA 0.160 4.820 4.660 0.000 0.000 0.329 508 W C -0.575 175.461 176.519 -0.804 0.000 1.157 508 W CA -0.229 56.733 57.345 -0.639 0.000 1.240 508 W CB 1.191 29.979 29.460 -1.121 0.000 1.199 508 W HN -0.243 nan 8.180 nan 0.000 0.579 509 T N 5.802 119.872 114.554 -0.807 0.000 2.811 509 T HA 0.131 4.481 4.350 0.000 0.000 0.309 509 T C -0.681 173.831 174.700 -0.314 0.000 1.005 509 T CA -0.011 61.825 62.100 -0.439 0.000 0.955 509 T CB -0.282 68.382 68.868 -0.340 0.000 0.970 509 T HN 0.218 nan 8.240 nan 0.000 0.496 510 W N 2.862 124.272 121.300 0.184 0.000 2.287 510 W HA 0.433 5.093 4.660 0.000 0.000 0.313 510 W C 1.382 177.953 176.519 0.088 0.000 1.267 510 W CA -0.815 56.630 57.345 0.166 0.000 1.201 510 W CB 0.871 30.377 29.460 0.078 0.000 1.196 510 W HN 0.559 nan 8.180 nan 0.000 0.536 511 R N 0.967 121.656 120.500 0.315 0.000 2.725 511 R HA 0.089 4.430 4.340 0.000 0.000 0.207 511 R C -0.409 175.982 176.300 0.152 0.000 0.924 511 R CA -0.279 55.917 56.100 0.161 0.000 1.098 511 R CB 0.252 30.603 30.300 0.085 0.000 1.602 511 R HN 0.460 nan 8.270 nan 0.000 0.615 512 N N 3.490 122.318 118.700 0.214 0.000 2.399 512 N HA 0.292 5.032 4.740 0.000 0.000 0.295 512 N C -2.750 172.867 175.510 0.178 0.000 1.048 512 N CA -1.659 51.509 53.050 0.197 0.000 0.886 512 N CB 1.806 40.448 38.487 0.258 0.000 1.185 512 N HN -0.107 nan 8.380 nan 0.000 0.487 513 P HA 0.007 nan 4.420 nan 0.000 0.275 513 P C -0.733 176.568 177.300 0.002 0.000 1.228 513 P CA 0.408 63.466 63.100 -0.070 0.000 0.786 513 P CB 0.479 32.079 31.700 -0.165 0.000 0.927 514 H N -0.115 119.012 119.070 0.096 0.000 2.886 514 H HA -0.091 4.465 4.556 0.000 0.000 0.294 514 H C 0.616 176.016 175.328 0.120 0.000 1.246 514 H CA 1.358 57.457 56.048 0.084 0.000 1.142 514 H CB -2.634 27.176 29.762 0.080 0.000 1.358 514 H HN 0.618 nan 8.280 nan 0.000 0.406 515 T N -3.984 110.671 114.554 0.169 0.000 3.043 515 T HA 0.265 4.615 4.350 0.000 0.000 0.272 515 T C -0.019 174.786 174.700 0.175 0.000 0.990 515 T CA -0.264 61.931 62.100 0.158 0.000 0.897 515 T CB 0.403 69.382 68.868 0.185 0.000 1.111 515 T HN 0.112 nan 8.240 nan 0.000 0.529 516 F N 2.346 122.187 119.950 -0.182 0.000 2.500 516 F HA 0.661 5.188 4.527 0.000 0.000 0.349 516 F C -1.419 174.255 175.800 -0.210 0.000 1.127 516 F CA -2.756 55.021 58.000 -0.372 0.000 0.998 516 F CB 1.070 39.487 39.000 -0.973 0.000 1.237 516 F HN 0.042 nan 8.300 nan 0.000 0.439 517 I N 5.670 126.036 120.570 -0.341 0.000 2.388 517 I HA 0.304 4.474 4.170 0.000 0.000 0.281 517 I C -0.118 175.803 176.117 -0.326 0.000 1.046 517 I CA -0.226 60.913 61.300 -0.269 0.000 1.187 517 I CB 1.432 39.380 38.000 -0.086 0.000 1.351 517 I HN 0.504 nan 8.210 nan 0.000 0.472 518 T N 3.279 117.538 114.554 -0.493 0.000 2.903 518 T HA 0.310 4.660 4.350 0.000 0.000 0.299 518 T C -0.653 173.773 174.700 -0.457 0.000 1.093 518 T CA -0.428 61.415 62.100 -0.428 0.000 1.002 518 T CB 1.938 70.310 68.868 -0.826 0.000 1.127 518 T HN 0.394 nan 8.240 nan 0.000 0.488 519 S N 1.921 117.245 115.700 -0.628 0.000 2.422 519 S HA 0.514 4.984 4.470 0.000 0.000 0.283 519 S C 1.109 175.476 174.600 -0.389 0.000 1.163 519 S CA 0.123 57.888 58.200 -0.724 0.000 1.054 519 S CB 0.021 62.672 63.200 -0.915 0.000 0.967 519 S HN 0.887 nan 8.310 nan 0.000 0.499 520 G N 3.779 112.398 108.800 -0.302 0.000 2.798 520 G HA2 0.227 4.187 3.960 0.000 0.000 0.200 520 G HA3 0.227 4.187 3.960 0.000 0.000 0.200 520 G C 1.188 175.993 174.900 -0.157 0.000 1.092 520 G CA 0.400 45.379 45.100 -0.202 0.000 0.800 520 G HN 0.789 nan 8.290 nan 0.000 0.566 521 G N 1.074 109.783 108.800 -0.151 0.000 2.434 521 G HA2 -0.066 3.894 3.960 0.000 0.000 0.214 521 G HA3 -0.066 3.894 3.960 0.000 0.000 0.214 521 G C 1.663 176.502 174.900 -0.101 0.000 1.202 521 G CA 1.201 46.235 45.100 -0.111 0.000 0.788 521 G HN 0.339 nan 8.290 nan 0.000 0.539 522 L N 0.517 121.673 121.223 -0.113 0.000 2.249 522 L HA 0.392 4.732 4.340 0.000 0.000 0.207 522 L C 1.643 178.441 176.870 -0.120 0.000 1.090 522 L CA 1.502 56.286 54.840 -0.093 0.000 0.802 522 L CB -0.349 41.669 42.059 -0.068 0.000 0.947 522 L HN 0.509 nan 8.230 nan 0.000 0.453 523 G N 1.039 109.737 108.800 -0.171 0.000 2.422 523 G HA2 -0.247 3.713 3.960 0.000 0.000 0.290 523 G HA3 -0.247 3.713 3.960 0.000 0.000 0.290 523 G C 0.064 174.874 174.900 -0.150 0.000 1.059 523 G CA 0.438 45.432 45.100 -0.177 0.000 1.242 523 G HN 0.350 nan 8.290 nan 0.000 0.520 524 T N 2.903 117.346 114.554 -0.185 0.000 2.727 524 T HA 0.502 4.852 4.350 0.000 0.000 0.298 524 T C 1.207 175.852 174.700 -0.092 0.000 0.942 524 T CA -0.217 61.813 62.100 -0.117 0.000 0.997 524 T CB 0.689 69.505 68.868 -0.087 0.000 0.917 524 T HN 0.451 nan 8.240 nan 0.000 0.487 525 M N 2.420 121.991 119.600 -0.048 0.000 2.248 525 M HA 0.332 4.812 4.480 0.000 0.000 0.345 525 M C 1.490 177.777 176.300 -0.023 0.000 1.243 525 M CA 0.903 56.197 55.300 -0.011 0.000 1.090 525 M CB 0.325 32.926 32.600 0.002 0.000 1.683 525 M HN 0.998 nan 8.290 nan 0.000 0.450 526 G N 1.489 110.283 108.800 -0.009 0.000 2.176 526 G HA2 -0.311 3.649 3.960 0.000 0.000 0.232 526 G HA3 -0.311 3.649 3.960 0.000 0.000 0.232 526 G C 0.340 175.172 174.900 -0.113 0.000 0.986 526 G CA 0.304 45.375 45.100 -0.049 0.000 0.643 526 G HN 0.811 nan 8.290 nan 0.000 0.522 527 Y N 1.678 121.787 120.300 -0.317 0.000 2.242 527 Y HA 0.180 4.730 4.550 0.000 0.000 0.291 527 Y C 2.575 178.342 175.900 -0.221 0.000 1.137 527 Y CA 2.476 60.291 58.100 -0.475 0.000 1.181 527 Y CB -0.585 37.627 38.460 -0.414 0.000 0.989 527 Y HN 0.265 nan 8.280 nan 0.000 0.527 528 G N 1.151 109.921 108.800 -0.050 0.000 2.719 528 G HA2 -0.388 3.572 3.960 0.000 0.000 0.219 528 G HA3 -0.388 3.572 3.960 0.000 0.000 0.219 528 G C 1.600 176.444 174.900 -0.094 0.000 1.234 528 G CA 1.557 46.625 45.100 -0.053 0.000 0.788 528 G HN 0.461 nan 8.290 nan 0.000 0.619 529 L N 2.731 123.948 121.223 -0.010 0.000 1.955 529 L HA -0.017 4.323 4.340 0.000 0.000 0.213 529 L C 0.519 177.363 176.870 -0.044 0.000 1.072 529 L CA 2.818 57.673 54.840 0.025 0.000 0.755 529 L CB -1.273 40.837 42.059 0.084 0.000 0.888 529 L HN 0.226 nan 8.230 nan 0.000 0.432 530 P HA -0.198 nan 4.420 nan 0.000 0.216 530 P C 1.384 178.586 177.300 -0.162 0.000 1.150 530 P CA 2.246 65.303 63.100 -0.072 0.000 0.837 530 P CB -0.215 31.477 31.700 -0.015 0.000 0.786 531 A N 0.622 123.235 122.820 -0.344 0.000 1.898 531 A HA -0.021 4.300 4.320 0.000 0.000 0.216 531 A C 2.549 179.998 177.584 -0.226 0.000 1.181 531 A CA 2.082 53.843 52.037 -0.460 0.000 0.620 531 A CB -1.521 16.884 19.000 -0.992 0.000 0.819 531 A HN 0.235 nan 8.150 nan 0.000 0.442 532 A N 0.078 122.807 122.820 -0.153 0.000 1.902 532 A HA -0.103 4.217 4.320 0.000 0.000 0.217 532 A C 2.114 179.697 177.584 -0.001 0.000 1.181 532 A CA 1.550 53.554 52.037 -0.055 0.000 0.623 532 A CB -0.627 18.363 19.000 -0.017 0.000 0.818 532 A HN 0.505 nan 8.150 nan 0.000 0.443 533 I N -0.380 120.197 120.570 0.012 0.000 2.179 533 I HA -0.220 3.950 4.170 0.000 0.000 0.242 533 I C 2.715 178.909 176.117 0.128 0.000 1.088 533 I CA 1.202 62.547 61.300 0.075 0.000 1.357 533 I CB -0.692 37.360 38.000 0.087 0.000 1.051 533 I HN 0.407 nan 8.210 nan 0.000 0.409 534 G N 0.449 109.292 108.800 0.072 0.000 2.421 534 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 534 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 534 G C 1.876 176.901 174.900 0.208 0.000 1.171 534 G CA 0.821 46.005 45.100 0.140 0.000 0.775 534 G HN 0.490 nan 8.290 nan 0.000 0.543 535 A N 0.284 123.149 122.820 0.075 0.000 1.908 535 A HA -0.129 4.192 4.320 0.000 0.000 0.218 535 A C 2.316 179.956 177.584 0.092 0.000 1.181 535 A CA 2.299 54.370 52.037 0.057 0.000 0.627 535 A CB -0.478 18.527 19.000 0.009 0.000 0.818 535 A HN 0.424 nan 8.150 nan 0.000 0.445 536 Q N -0.304 119.555 119.800 0.098 0.000 2.167 536 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 536 Q C 1.743 177.825 176.000 0.135 0.000 0.970 536 Q CA 1.818 57.681 55.803 0.100 0.000 0.855 536 Q CB -0.434 28.354 28.738 0.083 0.000 0.911 536 Q HN 0.351 nan 8.270 nan 0.000 0.438 537 V N 0.214 120.250 119.914 0.203 0.000 2.548 537 V HA -0.162 3.958 4.120 0.000 0.000 0.249 537 V C 2.129 178.389 176.094 0.276 0.000 1.055 537 V CA 1.531 63.977 62.300 0.244 0.000 1.065 537 V CB -0.865 31.157 31.823 0.332 0.000 0.681 537 V HN 0.500 nan 8.190 nan 0.000 0.462 538 A N -0.907 122.076 122.820 0.272 0.000 1.897 538 A HA -0.045 4.275 4.320 0.000 0.000 0.215 538 A C 1.413 179.019 177.584 0.037 0.000 1.181 538 A CA 1.134 53.217 52.037 0.076 0.000 0.620 538 A CB -0.015 18.837 19.000 -0.248 0.000 0.821 538 A HN 0.371 nan 8.150 nan 0.000 0.443 539 K N -0.472 119.966 120.400 0.063 0.000 2.606 539 K HA 0.296 4.616 4.320 0.000 0.000 0.196 539 K C -2.481 174.169 176.600 0.083 0.000 1.048 539 K CA -1.899 54.429 56.287 0.068 0.000 1.017 539 K CB 0.992 33.553 32.500 0.102 0.000 1.413 539 K HN 0.086 nan 8.250 nan 0.000 0.568 540 P HA -0.181 nan 4.420 nan 0.000 0.217 540 P C 0.647 177.984 177.300 0.062 0.000 1.148 540 P CA 1.356 64.498 63.100 0.070 0.000 0.834 540 P CB 0.494 32.231 31.700 0.062 0.000 0.783 541 E N -1.384 118.853 120.200 0.062 0.000 2.442 541 E HA 0.076 4.426 4.350 0.000 0.000 0.195 541 E C 0.406 177.056 176.600 0.084 0.000 1.030 541 E CA 0.207 56.644 56.400 0.061 0.000 0.869 541 E CB -0.279 29.451 29.700 0.050 0.000 0.857 541 E HN 0.149 nan 8.360 nan 0.000 0.505 542 S N 0.503 116.270 115.700 0.112 0.000 2.592 542 S HA 0.239 4.709 4.470 0.000 0.000 0.271 542 S C -0.268 174.375 174.600 0.072 0.000 1.326 542 S CA -0.674 57.611 58.200 0.142 0.000 1.024 542 S CB 0.745 64.080 63.200 0.224 0.000 0.921 542 S HN 0.167 nan 8.310 nan 0.000 0.527 543 L N 4.088 125.339 121.223 0.047 0.000 2.295 543 L HA 0.432 4.772 4.340 0.000 0.000 0.288 543 L C -0.972 175.897 176.870 -0.002 0.000 1.079 543 L CA -0.032 54.813 54.840 0.008 0.000 0.830 543 L CB 0.007 42.071 42.059 0.007 0.000 1.200 543 L HN 0.356 nan 8.230 nan 0.000 0.438 544 V N 7.205 127.115 119.914 -0.005 0.000 2.370 544 V HA 0.433 4.553 4.120 0.000 0.000 0.279 544 V C 0.333 176.418 176.094 -0.015 0.000 1.029 544 V CA -0.322 61.977 62.300 -0.003 0.000 0.870 544 V CB 1.084 32.917 31.823 0.016 0.000 0.984 544 V HN 0.612 nan 8.190 nan 0.000 0.451 545 I N 3.865 124.432 120.570 -0.004 0.000 2.433 545 I HA 0.404 4.574 4.170 0.000 0.000 0.292 545 I C -0.743 175.402 176.117 0.047 0.000 1.001 545 I CA -0.477 60.841 61.300 0.030 0.000 1.119 545 I CB 2.109 40.149 38.000 0.066 0.000 1.289 545 I HN 0.564 nan 8.210 nan 0.000 0.438 546 D N 7.660 128.111 120.400 0.084 0.000 2.427 546 D HA 0.361 5.001 4.640 0.000 0.000 0.226 546 D C -0.569 175.781 176.300 0.084 0.000 1.076 546 D CA -0.233 53.809 54.000 0.070 0.000 0.849 546 D CB 0.808 41.643 40.800 0.057 0.000 1.052 546 D HN 0.325 nan 8.370 nan 0.000 0.515 547 I N 3.951 124.586 120.570 0.108 0.000 2.269 547 I HA 0.196 4.366 4.170 0.000 0.000 0.293 547 I C 0.391 176.568 176.117 0.099 0.000 1.106 547 I CA -0.313 61.061 61.300 0.124 0.000 1.248 547 I CB 0.474 38.598 38.000 0.207 0.000 1.444 547 I HN 0.325 nan 8.210 nan 0.000 0.497 548 D N 4.161 124.490 120.400 -0.117 0.000 2.384 548 D HA 0.566 5.206 4.640 0.000 0.000 0.250 548 D C -0.088 175.728 176.300 -0.808 0.000 1.029 548 D CA -0.195 53.584 54.000 -0.368 0.000 0.990 548 D CB 2.494 43.176 40.800 -0.196 0.000 1.175 548 D HN 0.503 nan 8.370 nan 0.000 0.532 549 G N -0.285 107.902 108.800 -1.022 0.000 2.432 549 G HA2 0.261 4.221 3.960 0.000 0.000 0.331 549 G HA3 0.261 4.221 3.960 0.000 0.000 0.331 549 G C 0.766 175.527 174.900 -0.231 0.000 1.170 549 G CA -0.480 44.233 45.100 -0.646 0.000 0.943 549 G HN 0.466 nan 8.290 nan 0.000 0.483 550 D N 0.986 121.324 120.400 -0.103 0.000 2.097 550 D HA -0.182 4.458 4.640 0.000 0.000 0.195 550 D C 2.340 178.729 176.300 0.149 0.000 0.989 550 D CA 1.376 55.392 54.000 0.028 0.000 0.827 550 D CB -0.610 40.305 40.800 0.192 0.000 0.966 550 D HN 0.387 nan 8.370 nan 0.000 0.456 551 A N 0.937 123.823 122.820 0.109 0.000 1.877 551 A HA -0.146 4.174 4.320 0.000 0.000 0.216 551 A C 2.544 180.180 177.584 0.086 0.000 1.186 551 A CA 2.170 54.267 52.037 0.102 0.000 0.620 551 A CB -0.777 18.262 19.000 0.065 0.000 0.822 551 A HN 0.276 nan 8.150 nan 0.000 0.443 552 S N -1.219 114.528 115.700 0.077 0.000 2.368 552 S HA -0.133 4.337 4.470 0.000 0.000 0.225 552 S C 1.656 176.302 174.600 0.077 0.000 1.030 552 S CA 1.449 59.693 58.200 0.073 0.000 0.999 552 S CB -0.500 62.767 63.200 0.111 0.000 0.844 552 S HN 0.597 nan 8.310 nan 0.000 0.459 553 F N 2.901 122.799 119.950 -0.086 0.000 2.161 553 F HA -0.136 4.391 4.527 0.000 0.000 0.300 553 F C 1.727 177.518 175.800 -0.015 0.000 1.089 553 F CA 1.291 59.233 58.000 -0.096 0.000 1.282 553 F CB -0.783 38.081 39.000 -0.226 0.000 1.010 553 F HN 0.155 nan 8.300 nan 0.000 0.485 554 N N -0.360 118.368 118.700 0.047 0.000 2.149 554 N HA -0.222 4.518 4.740 0.000 0.000 0.188 554 N C 1.951 177.402 175.510 -0.099 0.000 1.019 554 N CA 1.787 54.831 53.050 -0.010 0.000 0.857 554 N CB -0.200 38.349 38.487 0.103 0.000 0.997 554 N HN 0.226 nan 8.380 nan 0.000 0.426 555 M N -0.220 119.335 119.600 -0.074 0.000 2.089 555 M HA -0.132 4.348 4.480 0.000 0.000 0.257 555 M C 1.163 177.381 176.300 -0.137 0.000 1.071 555 M CA 1.661 56.910 55.300 -0.084 0.000 1.096 555 M CB -1.014 31.553 32.600 -0.055 0.000 1.330 555 M HN 0.351 nan 8.290 nan 0.000 0.403 556 T N -2.714 111.726 114.554 -0.189 0.000 3.288 556 T HA 0.294 4.644 4.350 0.000 0.000 0.293 556 T C 1.160 175.689 174.700 -0.285 0.000 1.008 556 T CA -0.378 61.605 62.100 -0.196 0.000 0.929 556 T CB -0.647 68.146 68.868 -0.125 0.000 1.152 556 T HN 0.475 nan 8.240 nan 0.000 0.517 557 L N -0.501 120.444 121.223 -0.463 0.000 2.447 557 L HA 0.011 4.351 4.340 0.000 0.000 0.225 557 L C 1.959 178.665 176.870 -0.274 0.000 1.148 557 L CA 1.646 56.079 54.840 -0.678 0.000 0.808 557 L CB -1.272 40.263 42.059 -0.874 0.000 0.928 557 L HN 0.311 nan 8.230 nan 0.000 0.448 558 T N 0.041 114.505 114.554 -0.151 0.000 2.951 558 T HA -0.088 4.262 4.350 0.000 0.000 0.268 558 T C 1.572 176.269 174.700 -0.006 0.000 1.073 558 T CA 1.115 63.187 62.100 -0.046 0.000 1.134 558 T CB -0.204 68.657 68.868 -0.011 0.000 0.884 558 T HN 0.454 nan 8.240 nan 0.000 0.479 559 E N 1.078 121.265 120.200 -0.022 0.000 2.515 559 E HA 0.001 4.351 4.350 0.000 0.000 0.201 559 E C 1.868 178.498 176.600 0.050 0.000 1.071 559 E CA 0.046 56.464 56.400 0.029 0.000 0.880 559 E CB -0.309 29.404 29.700 0.022 0.000 0.828 559 E HN 0.379 nan 8.360 nan 0.000 0.540 560 L N 1.251 122.499 121.223 0.041 0.000 2.042 560 L HA -0.202 4.138 4.340 0.000 0.000 0.210 560 L C 2.345 179.272 176.870 0.096 0.000 1.076 560 L CA 2.004 56.901 54.840 0.095 0.000 0.749 560 L CB -0.964 41.170 42.059 0.125 0.000 0.893 560 L HN 0.134 nan 8.230 nan 0.000 0.432 561 S N -2.937 112.814 115.700 0.084 0.000 2.428 561 S HA -0.103 4.367 4.470 0.000 0.000 0.230 561 S C 2.042 176.697 174.600 0.091 0.000 1.014 561 S CA 1.001 59.252 58.200 0.086 0.000 0.957 561 S CB -0.500 62.748 63.200 0.080 0.000 0.784 561 S HN 0.387 nan 8.310 nan 0.000 0.499 562 S N 2.568 118.327 115.700 0.098 0.000 2.368 562 S HA 0.055 4.525 4.470 0.000 0.000 0.225 562 S C 2.350 177.013 174.600 0.106 0.000 1.030 562 S CA 1.049 59.316 58.200 0.111 0.000 0.999 562 S CB -0.863 62.411 63.200 0.123 0.000 0.844 562 S HN 0.790 nan 8.310 nan 0.000 0.459 563 A N 1.240 124.119 122.820 0.099 0.000 1.908 563 A HA -0.089 4.232 4.320 0.000 0.000 0.218 563 A C 2.347 179.984 177.584 0.087 0.000 1.181 563 A CA 1.730 53.824 52.037 0.095 0.000 0.627 563 A CB -0.939 18.118 19.000 0.095 0.000 0.818 563 A HN 0.357 nan 8.150 nan 0.000 0.445 564 V N -0.203 119.762 119.914 0.085 0.000 2.307 564 V HA -0.302 3.818 4.120 0.000 0.000 0.245 564 V C 2.723 178.861 176.094 0.072 0.000 1.045 564 V CA 2.278 64.623 62.300 0.075 0.000 1.024 564 V CB -0.856 31.011 31.823 0.073 0.000 0.651 564 V HN 0.793 nan 8.190 nan 0.000 0.449 565 Q N 0.203 120.051 119.800 0.079 0.000 2.124 565 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 565 Q C 2.023 178.071 176.000 0.079 0.000 0.977 565 Q CA 1.954 57.804 55.803 0.079 0.000 0.850 565 Q CB -0.275 28.517 28.738 0.089 0.000 0.901 565 Q HN 0.632 nan 8.270 nan 0.000 0.429 566 A N -0.350 122.522 122.820 0.087 0.000 2.208 566 A HA 0.245 4.565 4.320 0.000 0.000 0.209 566 A C 1.460 179.088 177.584 0.072 0.000 1.161 566 A CA 0.786 52.873 52.037 0.083 0.000 0.782 566 A CB -0.511 18.548 19.000 0.099 0.000 0.816 566 A HN 0.654 nan 8.150 nan 0.000 0.477 567 G N 0.088 108.929 108.800 0.068 0.000 2.198 567 G HA2 -0.225 3.735 3.960 0.000 0.000 0.257 567 G HA3 -0.225 3.735 3.960 0.000 0.000 0.257 567 G C 0.296 175.233 174.900 0.061 0.000 1.042 567 G CA 0.630 45.766 45.100 0.059 0.000 0.791 567 G HN 1.426 nan 8.290 nan 0.000 0.502 568 T N -0.716 113.880 114.554 0.070 0.000 2.811 568 T HA 0.617 4.967 4.350 0.000 0.000 0.309 568 T C -1.414 173.320 174.700 0.057 0.000 1.005 568 T CA -1.587 60.556 62.100 0.070 0.000 0.955 568 T CB 2.236 71.157 68.868 0.088 0.000 0.970 568 T HN 0.150 nan 8.240 nan 0.000 0.496 569 P HA 0.091 nan 4.420 nan 0.000 0.262 569 P C 0.696 177.999 177.300 0.007 0.000 1.647 569 P CA -0.287 62.828 63.100 0.024 0.000 0.865 569 P CB -0.739 30.970 31.700 0.014 0.000 1.834 570 V N -1.569 118.360 119.914 0.025 0.000 2.963 570 V HA 0.239 4.359 4.120 0.000 0.000 0.306 570 V C 0.326 176.417 176.094 -0.006 0.000 1.077 570 V CA -0.236 62.073 62.300 0.016 0.000 1.124 570 V CB 0.267 32.118 31.823 0.046 0.000 0.987 570 V HN -0.022 nan 8.190 nan 0.000 0.487 571 K N 5.093 125.462 120.400 -0.050 0.000 2.316 571 K HA 0.548 4.868 4.320 0.000 0.000 0.267 571 K C -0.786 175.944 176.600 0.216 0.000 1.025 571 K CA -0.591 55.628 56.287 -0.114 0.000 0.896 571 K CB 1.257 33.349 32.500 -0.679 0.000 1.124 571 K HN 0.624 nan 8.250 nan 0.000 0.451 572 I N 4.096 124.853 120.570 0.312 0.000 2.325 572 I HA 0.260 4.430 4.170 0.000 0.000 0.291 572 I C 0.024 176.201 176.117 0.100 0.000 1.019 572 I CA -1.076 60.325 61.300 0.167 0.000 1.302 572 I CB 0.446 38.457 38.000 0.017 0.000 1.401 572 I HN 0.367 nan 8.210 nan 0.000 0.485 573 L N 8.438 129.663 121.223 0.004 0.000 2.305 573 L HA 0.575 4.915 4.340 0.000 0.000 0.284 573 L C -0.592 176.095 176.870 -0.306 0.000 1.013 573 L CA -0.043 54.658 54.840 -0.231 0.000 0.819 573 L CB 1.048 43.048 42.059 -0.097 0.000 1.227 573 L HN 0.382 nan 8.230 nan 0.000 0.417 574 I N 6.578 126.895 120.570 -0.421 0.000 2.354 574 I HA 0.252 4.422 4.170 0.000 0.000 0.286 574 I C -0.520 175.419 176.117 -0.296 0.000 1.007 574 I CA -0.497 60.520 61.300 -0.471 0.000 1.167 574 I CB 1.304 38.836 38.000 -0.780 0.000 1.320 574 I HN 0.457 nan 8.210 nan 0.000 0.458 575 L N 6.168 127.267 121.223 -0.206 0.000 2.401 575 L HA 0.189 4.529 4.340 0.000 0.000 0.283 575 L C 0.268 177.106 176.870 -0.052 0.000 1.151 575 L CA -0.209 54.584 54.840 -0.080 0.000 0.942 575 L CB -0.332 41.752 42.059 0.040 0.000 1.283 575 L HN 0.546 nan 8.230 nan 0.000 0.442 576 N N 2.848 121.525 118.700 -0.039 0.000 2.402 576 N HA 0.025 4.765 4.740 0.000 0.000 0.252 576 N C 0.490 176.050 175.510 0.083 0.000 1.118 576 N CA -0.219 52.857 53.050 0.044 0.000 0.945 576 N CB 0.578 39.136 38.487 0.118 0.000 1.147 576 N HN 0.457 nan 8.380 nan 0.000 0.495 577 N N 2.076 120.839 118.700 0.105 0.000 2.187 577 N HA 0.054 4.794 4.740 0.000 0.000 0.212 577 N C -0.737 174.852 175.510 0.132 0.000 1.152 577 N CA -0.212 52.909 53.050 0.117 0.000 0.872 577 N CB -0.240 38.331 38.487 0.139 0.000 1.025 577 N HN 0.531 nan 8.380 nan 0.000 0.514 578 E N 0.334 120.620 120.200 0.144 0.000 2.269 578 E HA -0.275 4.075 4.350 0.000 0.000 0.223 578 E C -0.892 175.816 176.600 0.180 0.000 1.244 578 E CA 1.084 57.582 56.400 0.163 0.000 0.713 578 E CB -1.490 28.303 29.700 0.155 0.000 1.178 578 E HN 0.879 nan 8.360 nan 0.000 0.370 579 E N -1.547 118.714 120.200 0.102 0.000 2.417 579 E HA 0.255 4.605 4.350 0.000 0.000 0.280 579 E C -1.037 175.527 176.600 -0.061 0.000 1.112 579 E CA -0.970 55.405 56.400 -0.042 0.000 0.863 579 E CB 0.739 30.389 29.700 -0.084 0.000 1.346 579 E HN 0.045 nan 8.360 nan 0.000 0.443 580 Q N 0.958 120.661 119.800 -0.160 0.000 2.673 580 Q HA 0.228 4.568 4.340 0.000 0.000 0.224 580 Q C 0.974 176.934 176.000 -0.066 0.000 1.226 580 Q CA 0.191 55.950 55.803 -0.074 0.000 1.019 580 Q CB 0.994 29.685 28.738 -0.077 0.000 1.312 580 Q HN 0.785 nan 8.270 nan 0.000 0.566 581 G N 2.464 111.254 108.800 -0.016 0.000 2.631 581 G HA2 -0.364 3.596 3.960 0.000 0.000 0.219 581 G HA3 -0.364 3.596 3.960 0.000 0.000 0.219 581 G C 1.236 176.132 174.900 -0.006 0.000 1.214 581 G CA 0.925 46.024 45.100 -0.002 0.000 0.785 581 G HN 0.570 nan 8.290 nan 0.000 0.596 582 M N 0.212 119.791 119.600 -0.034 0.000 2.106 582 M HA -0.121 4.359 4.480 0.000 0.000 0.259 582 M C 2.555 178.922 176.300 0.112 0.000 1.068 582 M CA 1.717 57.017 55.300 -0.001 0.000 1.100 582 M CB -0.167 32.402 32.600 -0.051 0.000 1.351 582 M HN 0.156 nan 8.290 nan 0.000 0.404 583 V N 0.476 120.434 119.914 0.073 0.000 2.323 583 V HA -0.234 3.887 4.120 0.000 0.000 0.244 583 V C 2.620 178.849 176.094 0.225 0.000 1.041 583 V CA 2.220 64.599 62.300 0.131 0.000 1.025 583 V CB -1.585 30.263 31.823 0.042 0.000 0.656 583 V HN 0.706 nan 8.190 nan 0.000 0.451 584 T N -1.294 113.334 114.554 0.124 0.000 2.759 584 T HA -0.351 3.999 4.350 0.000 0.000 0.269 584 T C 1.845 176.728 174.700 0.304 0.000 1.042 584 T CA 1.971 64.184 62.100 0.188 0.000 1.140 584 T CB -0.444 68.334 68.868 -0.149 0.000 0.864 584 T HN 0.533 nan 8.240 nan 0.000 0.455 585 Q N -0.724 119.212 119.800 0.227 0.000 2.096 585 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 585 Q C 2.127 178.301 176.000 0.290 0.000 0.982 585 Q CA 1.520 57.460 55.803 0.229 0.000 0.850 585 Q CB -0.324 28.527 28.738 0.188 0.000 0.901 585 Q HN 0.780 nan 8.270 nan 0.000 0.422 586 W N 1.028 122.461 121.300 0.223 0.000 2.418 586 W HA -0.129 4.531 4.660 0.000 0.000 0.292 586 W C 1.611 178.379 176.519 0.414 0.000 1.213 586 W CA 1.367 58.930 57.345 0.364 0.000 1.283 586 W CB 0.013 29.654 29.460 0.302 0.000 1.119 586 W HN 0.356 nan 8.180 nan 0.000 0.542 587 Q N -0.254 119.875 119.800 0.547 0.000 2.167 587 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 587 Q C 2.343 178.408 176.000 0.107 0.000 0.970 587 Q CA 1.887 57.961 55.803 0.453 0.000 0.855 587 Q CB -0.315 28.633 28.738 0.351 0.000 0.911 587 Q HN 0.023 nan 8.270 nan 0.000 0.438 588 S N 0.752 116.493 115.700 0.069 0.000 2.368 588 S HA -0.120 4.350 4.470 0.000 0.000 0.224 588 S C 1.741 176.032 174.600 -0.515 0.000 1.029 588 S CA 0.854 58.861 58.200 -0.323 0.000 0.988 588 S CB -0.134 63.060 63.200 -0.010 0.000 0.838 588 S HN 0.223 nan 8.310 nan 0.000 0.462 589 L N 0.298 121.294 121.223 -0.378 0.000 2.068 589 L HA 0.219 4.559 4.340 0.000 0.000 0.204 589 L C 1.232 177.566 176.870 -0.894 0.000 1.076 589 L CA 1.855 56.277 54.840 -0.697 0.000 0.753 589 L CB -0.492 40.993 42.059 -0.958 0.000 0.910 589 L HN 0.274 nan 8.230 nan 0.000 0.439 590 F N -2.904 116.738 119.950 -0.513 0.000 2.721 590 F HA 0.194 4.721 4.527 0.000 0.000 0.301 590 F C 0.405 175.743 175.800 -0.770 0.000 1.096 590 F CA -0.113 57.486 58.000 -0.668 0.000 1.308 590 F CB -0.048 38.406 39.000 -0.909 0.000 1.086 590 F HN -0.061 nan 8.300 nan 0.000 0.587 591 Y N -0.141 120.153 120.300 -0.010 0.000 2.699 591 Y HA 0.296 4.846 4.550 0.000 0.000 0.282 591 Y C 0.132 175.978 175.900 -0.089 0.000 1.058 591 Y CA -1.218 56.876 58.100 -0.010 0.000 1.194 591 Y CB -0.410 38.075 38.460 0.041 0.000 1.193 591 Y HN -0.000 nan 8.280 nan 0.000 0.562 592 E N 0.476 120.644 120.200 -0.054 0.000 2.238 592 E HA -0.321 4.029 4.350 0.000 0.000 0.219 592 E C -0.453 176.175 176.600 0.047 0.000 1.275 592 E CA 1.072 57.476 56.400 0.006 0.000 0.714 592 E CB -1.466 28.265 29.700 0.051 0.000 1.154 592 E HN 0.760 nan 8.360 nan 0.000 0.363 593 H N -2.853 116.116 119.070 -0.169 0.000 2.861 593 H HA -0.218 4.338 4.556 0.000 0.000 0.289 593 H C -0.173 174.717 175.328 -0.729 0.000 1.176 593 H CA 1.400 57.170 56.048 -0.463 0.000 1.146 593 H CB -1.183 28.445 29.762 -0.224 0.000 1.330 593 H HN 0.299 nan 8.280 nan 0.000 0.379 594 R N 1.045 121.343 120.500 -0.337 0.000 2.296 594 R HA 0.200 4.540 4.340 0.000 0.000 0.327 594 R C -0.702 175.457 176.300 -0.235 0.000 1.137 594 R CA -0.343 55.627 56.100 -0.216 0.000 1.020 594 R CB 0.250 30.527 30.300 -0.039 0.000 1.110 594 R HN 0.311 nan 8.270 nan 0.000 0.499 595 Y N 1.070 121.446 120.300 0.127 0.000 2.616 595 Y HA 0.034 4.585 4.550 0.000 0.000 0.350 595 Y C 0.936 176.855 175.900 0.031 0.000 1.119 595 Y CA -0.338 57.820 58.100 0.096 0.000 1.467 595 Y CB 0.748 39.310 38.460 0.171 0.000 1.287 595 Y HN 0.398 nan 8.280 nan 0.000 0.504 596 S N 4.762 120.503 115.700 0.069 0.000 2.400 596 S HA 0.083 4.553 4.470 0.000 0.000 0.295 596 S C 0.186 174.782 174.600 -0.007 0.000 1.113 596 S CA -0.433 57.723 58.200 -0.073 0.000 1.064 596 S CB -0.372 62.796 63.200 -0.054 0.000 0.990 596 S HN 0.800 nan 8.310 nan 0.000 0.502 597 H N 2.087 121.229 119.070 0.120 0.000 2.690 597 H HA -0.130 4.426 4.556 0.000 0.000 0.309 597 H C 0.900 176.261 175.328 0.054 0.000 1.138 597 H CA 1.304 57.408 56.048 0.093 0.000 1.142 597 H CB -2.373 27.420 29.762 0.053 0.000 1.410 597 H HN 0.719 nan 8.280 nan 0.000 0.409 598 T N -3.134 111.473 114.554 0.087 0.000 3.215 598 T HA 0.312 4.662 4.350 0.000 0.000 0.271 598 T C 0.129 174.608 174.700 -0.368 0.000 1.012 598 T CA -0.359 61.680 62.100 -0.102 0.000 0.899 598 T CB 0.161 68.945 68.868 -0.139 0.000 1.089 598 T HN 0.434 nan 8.240 nan 0.000 0.552 599 H N 0.883 119.979 119.070 0.044 0.000 2.823 599 H HA 0.533 5.089 4.556 0.000 0.000 0.332 599 H C -0.439 174.940 175.328 0.084 0.000 0.980 599 H CA -0.565 55.508 56.048 0.042 0.000 1.286 599 H CB 1.296 31.088 29.762 0.051 0.000 1.541 599 H HN 0.200 nan 8.280 nan 0.000 0.521 600 Q N 1.469 121.363 119.800 0.157 0.000 2.297 600 Q HA 0.322 4.662 4.340 0.000 0.000 0.269 600 Q C -0.780 175.290 176.000 0.117 0.000 1.051 600 Q CA -1.512 54.368 55.803 0.128 0.000 0.869 600 Q CB 2.975 31.771 28.738 0.096 0.000 1.346 600 Q HN 0.367 nan 8.270 nan 0.000 0.457 601 L N 2.154 123.428 121.223 0.086 0.000 2.325 601 L HA 0.213 4.553 4.340 0.000 0.000 0.284 601 L C -0.786 176.099 176.870 0.026 0.000 1.089 601 L CA 0.514 55.386 54.840 0.053 0.000 0.836 601 L CB -0.082 42.000 42.059 0.038 0.000 1.184 601 L HN 0.492 nan 8.230 nan 0.000 0.444 602 N N 6.208 124.904 118.700 -0.007 0.000 2.515 602 N HA 0.482 5.222 4.740 0.000 0.000 0.279 602 N C -2.266 173.090 175.510 -0.257 0.000 1.164 602 N CA -1.166 51.820 53.050 -0.106 0.000 0.982 602 N CB 0.574 38.973 38.487 -0.146 0.000 1.170 602 N HN 0.553 nan 8.380 nan 0.000 0.474 603 P HA 0.071 nan 4.420 nan 0.000 0.279 603 P C -1.133 175.856 177.300 -0.519 0.000 1.276 603 P CA -0.341 62.582 63.100 -0.294 0.000 0.801 603 P CB 0.652 32.270 31.700 -0.136 0.000 1.127 604 D N 0.291 120.528 120.400 -0.273 0.000 2.359 604 D HA 0.045 4.685 4.640 0.000 0.000 0.250 604 D C 0.909 177.132 176.300 -0.128 0.000 1.264 604 D CA -0.183 53.687 54.000 -0.216 0.000 0.911 604 D CB -0.199 40.554 40.800 -0.080 0.000 1.056 604 D HN 0.181 nan 8.370 nan 0.000 0.499 605 F N 2.524 122.505 119.950 0.053 0.000 2.161 605 F HA -0.229 4.298 4.527 0.000 0.000 0.300 605 F C 2.062 177.889 175.800 0.045 0.000 1.089 605 F CA 0.179 58.216 58.000 0.062 0.000 1.282 605 F CB -0.035 38.961 39.000 -0.008 0.000 1.010 605 F HN 0.390 nan 8.300 nan 0.000 0.485 606 I N 0.467 121.148 120.570 0.186 0.000 2.202 606 I HA -0.235 3.936 4.170 0.000 0.000 0.242 606 I C 2.110 178.286 176.117 0.099 0.000 1.091 606 I CA 1.491 62.862 61.300 0.117 0.000 1.368 606 I CB -0.730 37.314 38.000 0.074 0.000 1.058 606 I HN -0.034 nan 8.210 nan 0.000 0.410 607 K N -0.187 120.258 120.400 0.074 0.000 2.148 607 K HA -0.162 4.158 4.320 0.000 0.000 0.204 607 K C 2.070 178.720 176.600 0.083 0.000 1.050 607 K CA 1.127 57.450 56.287 0.061 0.000 0.942 607 K CB -0.419 32.102 32.500 0.034 0.000 0.724 607 K HN 0.159 nan 8.250 nan 0.000 0.446 608 L N 1.287 122.579 121.223 0.115 0.000 1.994 608 L HA -0.167 4.174 4.340 0.000 0.000 0.208 608 L C 2.255 179.221 176.870 0.160 0.000 1.071 608 L CA 1.958 56.888 54.840 0.150 0.000 0.745 608 L CB -0.736 41.469 42.059 0.243 0.000 0.892 608 L HN 0.118 nan 8.230 nan 0.000 0.431 609 A N -0.715 122.214 122.820 0.182 0.000 1.883 609 A HA -0.274 4.046 4.320 0.000 0.000 0.217 609 A C 2.183 179.837 177.584 0.116 0.000 1.186 609 A CA 2.046 54.179 52.037 0.159 0.000 0.624 609 A CB -0.820 18.266 19.000 0.144 0.000 0.822 609 A HN 0.635 nan 8.150 nan 0.000 0.444 610 E N -0.469 119.789 120.200 0.097 0.000 2.085 610 E HA -0.143 4.207 4.350 0.000 0.000 0.194 610 E C 2.306 178.948 176.600 0.071 0.000 0.994 610 E CA 1.061 57.507 56.400 0.075 0.000 0.801 610 E CB -0.301 29.436 29.700 0.063 0.000 0.743 610 E HN 0.632 nan 8.360 nan 0.000 0.453 611 A N 0.867 123.731 122.820 0.073 0.000 1.933 611 A HA -0.160 4.160 4.320 0.000 0.000 0.218 611 A C 2.063 179.689 177.584 0.070 0.000 1.175 611 A CA 1.167 53.243 52.037 0.065 0.000 0.628 611 A CB -0.222 18.815 19.000 0.063 0.000 0.814 611 A HN 0.139 nan 8.150 nan 0.000 0.444 612 M N -1.687 117.964 119.600 0.085 0.000 2.492 612 M HA 0.080 4.560 4.480 0.000 0.000 0.262 612 M C 1.472 177.820 176.300 0.081 0.000 1.090 612 M CA 1.204 56.557 55.300 0.087 0.000 1.110 612 M CB -0.772 31.893 32.600 0.108 0.000 1.407 612 M HN 0.819 nan 8.290 nan 0.000 0.470 613 G N 0.749 109.595 108.800 0.077 0.000 2.138 613 G HA2 -0.145 3.815 3.960 0.000 0.000 0.193 613 G HA3 -0.145 3.815 3.960 0.000 0.000 0.193 613 G C -0.409 174.534 174.900 0.072 0.000 0.998 613 G CA -0.377 44.765 45.100 0.069 0.000 0.668 613 G HN 0.324 nan 8.290 nan 0.000 0.516 614 L N -0.291 120.982 121.223 0.083 0.000 2.271 614 L HA 0.733 5.073 4.340 0.000 0.000 0.265 614 L C 0.558 177.477 176.870 0.082 0.000 1.013 614 L CA -1.275 53.616 54.840 0.085 0.000 0.820 614 L CB 1.108 43.230 42.059 0.104 0.000 1.352 614 L HN 0.173 nan 8.230 nan 0.000 0.443 615 K N -0.172 120.278 120.400 0.083 0.000 2.218 615 K HA 0.631 4.951 4.320 0.000 0.000 0.276 615 K C -0.402 176.253 176.600 0.092 0.000 1.022 615 K CA -0.260 56.075 56.287 0.080 0.000 0.946 615 K CB 0.824 33.372 32.500 0.079 0.000 1.000 615 K HN 0.804 nan 8.250 nan 0.000 0.468 616 G N 4.280 113.127 108.800 0.079 0.000 2.544 616 G HA2 0.569 4.529 3.960 0.000 0.000 0.313 616 G HA3 0.569 4.529 3.960 0.000 0.000 0.313 616 G C -1.269 173.664 174.900 0.055 0.000 1.316 616 G CA -0.722 44.422 45.100 0.073 0.000 0.944 616 G HN 0.525 nan 8.290 nan 0.000 0.489 617 L N 1.426 122.670 121.223 0.034 0.000 2.370 617 L HA 0.727 5.067 4.340 0.000 0.000 0.266 617 L C 0.027 176.880 176.870 -0.028 0.000 1.002 617 L CA -1.049 53.797 54.840 0.009 0.000 0.818 617 L CB 2.839 44.907 42.059 0.015 0.000 1.325 617 L HN 0.531 nan 8.230 nan 0.000 0.418 618 R N 1.359 121.847 120.500 -0.020 0.000 2.744 618 R HA 0.868 5.208 4.340 0.000 0.000 0.279 618 R C -1.989 174.291 176.300 -0.032 0.000 0.977 618 R CA -0.543 55.541 56.100 -0.026 0.000 0.906 618 R CB 2.521 32.826 30.300 0.007 0.000 1.197 618 R HN 0.427 nan 8.270 nan 0.000 0.463 619 V N 3.657 123.545 119.914 -0.043 0.000 2.686 619 V HA 0.379 4.499 4.120 0.000 0.000 0.306 619 V C -0.102 175.975 176.094 -0.028 0.000 1.065 619 V CA -0.758 61.518 62.300 -0.039 0.000 0.894 619 V CB 1.974 33.762 31.823 -0.059 0.000 1.004 619 V HN 0.918 nan 8.190 nan 0.000 0.424 620 K N 1.362 121.751 120.400 -0.018 0.000 2.412 620 K HA 0.331 4.651 4.320 0.000 0.000 0.201 620 K C 0.156 176.748 176.600 -0.013 0.000 1.275 620 K CA -0.140 56.140 56.287 -0.011 0.000 0.910 620 K CB 0.659 33.157 32.500 -0.003 0.000 1.346 620 K HN 0.472 nan 8.250 nan 0.000 0.490 621 K N 2.133 122.525 120.400 -0.013 0.000 2.249 621 K HA 0.135 4.456 4.320 0.000 0.000 0.280 621 K C 0.700 177.289 176.600 -0.019 0.000 1.033 621 K CA -0.089 56.191 56.287 -0.013 0.000 0.946 621 K CB 1.152 33.646 32.500 -0.010 0.000 1.005 621 K HN 0.104 nan 8.250 nan 0.000 0.469 622 Q N 1.700 121.488 119.800 -0.019 0.000 2.112 622 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 622 Q C 1.159 177.146 176.000 -0.022 0.000 0.987 622 Q CA 1.866 57.654 55.803 -0.023 0.000 0.858 622 Q CB -0.028 28.698 28.738 -0.021 0.000 0.905 622 Q HN 0.517 nan 8.270 nan 0.000 0.420 623 E N 0.889 121.078 120.200 -0.017 0.000 2.171 623 E HA -0.194 4.156 4.350 0.000 0.000 0.197 623 E C 1.302 177.893 176.600 -0.015 0.000 0.997 623 E CA 1.268 57.658 56.400 -0.015 0.000 0.810 623 E CB -0.035 29.658 29.700 -0.011 0.000 0.738 623 E HN 0.424 nan 8.360 nan 0.000 0.467 624 E N -0.324 119.866 120.200 -0.015 0.000 2.447 624 E HA 0.013 4.363 4.350 0.000 0.000 0.195 624 E C 1.538 178.127 176.600 -0.018 0.000 1.028 624 E CA -0.204 56.188 56.400 -0.014 0.000 0.876 624 E CB 0.102 29.795 29.700 -0.012 0.000 0.885 624 E HN 0.085 nan 8.360 nan 0.000 0.500 625 L N 1.985 123.193 121.223 -0.026 0.000 1.990 625 L HA -0.261 4.079 4.340 0.000 0.000 0.213 625 L C 1.555 178.411 176.870 -0.023 0.000 1.072 625 L CA 2.009 56.829 54.840 -0.033 0.000 0.755 625 L CB -0.413 41.622 42.059 -0.041 0.000 0.889 625 L HN 0.056 nan 8.230 nan 0.000 0.432 626 D N -0.323 120.065 120.400 -0.019 0.000 2.104 626 D HA -0.207 4.433 4.640 0.000 0.000 0.194 626 D C 2.115 178.416 176.300 0.002 0.000 0.994 626 D CA 1.695 55.688 54.000 -0.012 0.000 0.830 626 D CB -0.189 40.601 40.800 -0.016 0.000 0.959 626 D HN 0.532 nan 8.370 nan 0.000 0.452 627 A N 1.617 124.438 122.820 0.002 0.000 1.883 627 A HA -0.198 4.122 4.320 0.000 0.000 0.217 627 A C 2.114 179.713 177.584 0.026 0.000 1.186 627 A CA 1.434 53.478 52.037 0.012 0.000 0.624 627 A CB -0.265 18.740 19.000 0.007 0.000 0.822 627 A HN 0.020 nan 8.150 nan 0.000 0.444 628 K N -0.153 120.257 120.400 0.017 0.000 2.057 628 K HA -0.038 4.283 4.320 0.000 0.000 0.207 628 K C 1.940 178.582 176.600 0.071 0.000 1.049 628 K CA 1.129 57.431 56.287 0.026 0.000 0.931 628 K CB -0.727 31.762 32.500 -0.017 0.000 0.714 628 K HN 0.562 nan 8.250 nan 0.000 0.440 629 L N 0.928 122.186 121.223 0.058 0.000 2.046 629 L HA -0.202 4.138 4.340 0.000 0.000 0.208 629 L C 2.431 179.404 176.870 0.172 0.000 1.077 629 L CA 1.424 56.343 54.840 0.130 0.000 0.747 629 L CB -0.338 41.764 42.059 0.071 0.000 0.896 629 L HN 0.186 nan 8.230 nan 0.000 0.432 630 K N -0.174 120.282 120.400 0.094 0.000 2.057 630 K HA -0.218 4.102 4.320 0.000 0.000 0.206 630 K C 2.041 178.690 176.600 0.081 0.000 1.050 630 K CA 1.390 57.719 56.287 0.070 0.000 0.935 630 K CB -0.083 32.438 32.500 0.036 0.000 0.715 630 K HN 0.298 nan 8.250 nan 0.000 0.439 631 E N 0.513 120.770 120.200 0.095 0.000 2.110 631 E HA -0.212 4.138 4.350 0.000 0.000 0.193 631 E C 1.854 178.541 176.600 0.144 0.000 0.988 631 E CA 0.806 57.263 56.400 0.094 0.000 0.804 631 E CB -0.100 29.650 29.700 0.083 0.000 0.745 631 E HN 0.193 nan 8.360 nan 0.000 0.458 632 F N 1.240 121.195 119.950 0.008 0.000 2.046 632 F HA -0.222 4.305 4.527 0.000 0.000 0.297 632 F C 2.057 177.868 175.800 0.018 0.000 1.123 632 F CA 1.559 59.565 58.000 0.010 0.000 1.199 632 F CB -0.734 38.270 39.000 0.006 0.000 0.972 632 F HN -0.097 nan 8.300 nan 0.000 0.474 633 V N -0.472 119.395 119.914 -0.078 0.000 2.515 633 V HA -0.246 3.874 4.120 0.000 0.000 0.250 633 V C 2.432 178.459 176.094 -0.113 0.000 1.058 633 V CA 1.992 64.175 62.300 -0.194 0.000 1.064 633 V CB -0.859 30.933 31.823 -0.052 0.000 0.675 633 V HN 0.373 nan 8.190 nan 0.000 0.461 634 S N -1.086 114.592 115.700 -0.037 0.000 2.406 634 S HA -0.063 4.407 4.470 0.000 0.000 0.228 634 S C 1.110 175.698 174.600 -0.019 0.000 1.020 634 S CA 0.471 58.661 58.200 -0.018 0.000 0.965 634 S CB -0.239 62.966 63.200 0.008 0.000 0.798 634 S HN 0.630 nan 8.310 nan 0.000 0.488 635 T N 3.622 118.166 114.554 -0.017 0.000 2.905 635 T HA 0.030 4.380 4.350 0.000 0.000 0.299 635 T C 0.081 174.769 174.700 -0.020 0.000 1.024 635 T CA 0.694 62.792 62.100 -0.004 0.000 1.151 635 T CB 0.159 69.038 68.868 0.020 0.000 0.987 635 T HN 0.238 nan 8.240 nan 0.000 0.535 636 K N 2.385 122.785 120.400 -0.001 0.000 2.172 636 K HA 0.562 4.882 4.320 0.000 0.000 0.276 636 K C 0.739 177.344 176.600 0.008 0.000 1.013 636 K CA -0.377 55.910 56.287 -0.000 0.000 0.913 636 K CB 1.380 33.885 32.500 0.008 0.000 1.055 636 K HN 0.935 nan 8.250 nan 0.000 0.461 637 G N 3.111 111.915 108.800 0.008 0.000 2.663 637 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 637 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 637 G C -2.945 171.967 174.900 0.020 0.000 1.288 637 G CA -1.272 43.840 45.100 0.021 0.000 0.836 637 G HN 0.431 nan 8.290 nan 0.000 0.584 638 P HA 0.451 nan 4.420 nan 0.000 0.268 638 P C -0.313 177.026 177.300 0.066 0.000 1.205 638 P CA 0.111 63.240 63.100 0.049 0.000 0.771 638 P CB 1.788 33.529 31.700 0.068 0.000 0.858 639 V N 4.351 124.317 119.914 0.087 0.000 3.048 639 V HA 0.514 4.634 4.120 0.000 0.000 0.303 639 V C -1.507 174.737 176.094 0.249 0.000 1.214 639 V CA -1.086 61.305 62.300 0.151 0.000 0.984 639 V CB 2.279 34.195 31.823 0.155 0.000 1.054 639 V HN 0.494 nan 8.190 nan 0.000 0.430 640 L N 6.165 127.504 121.223 0.192 0.000 2.341 640 L HA 0.783 5.123 4.340 0.000 0.000 0.278 640 L C -1.589 175.277 176.870 -0.008 0.000 1.005 640 L CA -0.779 54.118 54.840 0.097 0.000 0.818 640 L CB 1.644 43.709 42.059 0.009 0.000 1.259 640 L HN 0.766 nan 8.230 nan 0.000 0.418 641 L N 4.806 125.882 121.223 -0.244 0.000 2.343 641 L HA 0.485 4.825 4.340 0.000 0.000 0.278 641 L C -0.640 175.997 176.870 -0.388 0.000 0.996 641 L CA 0.031 54.617 54.840 -0.424 0.000 0.831 641 L CB 1.648 43.097 42.059 -1.017 0.000 1.232 641 L HN 0.689 nan 8.230 nan 0.000 0.413 642 E N 4.070 124.132 120.200 -0.229 0.000 2.197 642 E HA 0.522 4.872 4.350 0.000 0.000 0.281 642 E C -1.582 174.932 176.600 -0.144 0.000 0.995 642 E CA -0.642 55.648 56.400 -0.182 0.000 0.808 642 E CB 1.498 31.192 29.700 -0.011 0.000 1.093 642 E HN 0.553 nan 8.360 nan 0.000 0.394 643 V N 4.797 124.625 119.914 -0.143 0.000 2.407 643 V HA 0.188 4.308 4.120 0.000 0.000 0.291 643 V C -0.342 175.722 176.094 -0.050 0.000 1.018 643 V CA -0.759 61.479 62.300 -0.103 0.000 0.842 643 V CB 1.439 33.186 31.823 -0.127 0.000 0.996 643 V HN 0.732 nan 8.190 nan 0.000 0.426 644 E N 3.249 123.437 120.200 -0.021 0.000 2.217 644 E HA 0.369 4.719 4.350 0.000 0.000 0.279 644 E C -0.224 176.374 176.600 -0.003 0.000 1.068 644 E CA -0.104 56.301 56.400 0.008 0.000 0.882 644 E CB 1.475 31.185 29.700 0.017 0.000 1.039 644 E HN 0.664 nan 8.360 nan 0.000 0.418 645 V N 0.533 120.452 119.914 0.008 0.000 3.019 645 V HA 0.409 4.529 4.120 0.000 0.000 0.317 645 V C 0.048 176.155 176.094 0.021 0.000 1.094 645 V CA -1.215 61.081 62.300 -0.006 0.000 1.000 645 V CB 1.953 33.761 31.823 -0.025 0.000 1.060 645 V HN 0.434 nan 8.190 nan 0.000 0.443 646 D N 1.575 121.979 120.400 0.006 0.000 2.419 646 D HA 0.212 4.852 4.640 0.000 0.000 0.236 646 D C -0.019 176.325 176.300 0.074 0.000 1.165 646 D CA 0.407 54.429 54.000 0.038 0.000 0.882 646 D CB 0.656 41.472 40.800 0.027 0.000 1.201 646 D HN 0.714 nan 8.370 nan 0.000 0.443 647 K N 1.987 122.447 120.400 0.100 0.000 2.139 647 K HA 0.323 4.643 4.320 0.000 0.000 0.243 647 K C 0.172 176.853 176.600 0.136 0.000 0.983 647 K CA -0.955 55.407 56.287 0.124 0.000 0.890 647 K CB 1.011 33.589 32.500 0.129 0.000 1.090 647 K HN 0.211 nan 8.250 nan 0.000 0.445 648 K N -0.469 120.011 120.400 0.133 0.000 3.035 648 K HA -0.141 4.180 4.320 0.000 0.000 0.262 648 K C -0.799 175.913 176.600 0.187 0.000 1.024 648 K CA 0.364 56.733 56.287 0.136 0.000 0.748 648 K CB -2.216 30.355 32.500 0.118 0.000 1.247 648 K HN 0.399 nan 8.250 nan 0.000 0.482 649 V N 2.494 122.549 119.914 0.235 0.000 2.406 649 V HA 0.217 4.337 4.120 0.000 0.000 0.272 649 V C -1.222 175.107 176.094 0.391 0.000 1.043 649 V CA -1.266 61.203 62.300 0.282 0.000 0.915 649 V CB 1.254 33.205 31.823 0.212 0.000 0.988 649 V HN 0.099 nan 8.190 nan 0.000 0.466 650 P HA 0.281 nan 4.420 nan 0.000 0.281 650 P C -0.683 176.842 177.300 0.375 0.000 1.249 650 P CA -0.286 62.993 63.100 0.298 0.000 0.810 650 P CB 1.668 33.514 31.700 0.244 0.000 1.008 651 V N 3.929 123.942 119.914 0.166 0.000 2.461 651 V HA 0.289 4.409 4.120 0.000 0.000 0.275 651 V C 0.643 176.849 176.094 0.188 0.000 1.047 651 V CA 0.016 62.347 62.300 0.051 0.000 0.955 651 V CB 0.203 31.632 31.823 -0.657 0.000 0.988 651 V HN 0.402 nan 8.190 nan 0.000 0.471 652 L N 6.050 127.457 121.223 0.306 0.000 2.415 652 L HA 0.591 4.931 4.340 0.000 0.000 0.256 652 L C -2.542 174.540 176.870 0.353 0.000 1.010 652 L CA -2.014 53.038 54.840 0.355 0.000 0.826 652 L CB 2.650 44.944 42.059 0.392 0.000 1.405 652 L HN 0.393 nan 8.230 nan 0.000 0.410 653 P HA 0.239 nan 4.420 nan 0.000 0.272 653 P C -1.195 176.280 177.300 0.291 0.000 1.254 653 P CA -0.379 62.875 63.100 0.256 0.000 0.795 653 P CB 0.530 32.235 31.700 0.008 0.000 1.022 654 M N 0.264 120.013 119.600 0.249 0.000 2.277 654 M HA 0.377 4.857 4.480 0.000 0.000 0.282 654 M C -2.110 174.253 176.300 0.105 0.000 1.074 654 M CA -0.722 54.667 55.300 0.148 0.000 0.954 654 M CB 1.693 34.422 32.600 0.214 0.000 1.672 654 M HN -0.094 nan 8.290 nan 0.000 0.471 655 V N 4.270 124.194 119.914 0.018 0.000 2.350 655 V HA 0.948 5.068 4.120 0.000 0.000 0.285 655 V C -0.312 175.803 176.094 0.035 0.000 1.014 655 V CA -0.326 62.003 62.300 0.049 0.000 0.831 655 V CB 0.923 32.774 31.823 0.048 0.000 1.000 655 V HN 0.929 nan 8.190 nan 0.000 0.433 656 A N 3.492 126.361 122.820 0.081 0.000 2.566 656 A HA 1.004 5.324 4.320 0.000 0.000 0.292 656 A C 0.454 178.116 177.584 0.130 0.000 1.112 656 A CA 0.084 52.207 52.037 0.144 0.000 0.707 656 A CB 1.504 20.642 19.000 0.230 0.000 1.302 656 A HN 1.999 nan 8.150 nan 0.000 0.409 657 G N 0.264 109.140 108.800 0.128 0.000 2.531 657 G HA2 0.121 4.081 3.960 0.000 0.000 0.274 657 G HA3 0.121 4.081 3.960 0.000 0.000 0.274 657 G C 1.042 175.974 174.900 0.054 0.000 1.159 657 G CA 0.672 45.819 45.100 0.078 0.000 0.969 657 G HN 2.226 nan 8.290 nan 0.000 0.554 658 G N 0.225 109.051 108.800 0.043 0.000 3.448 658 G HA2 0.483 4.443 3.960 0.000 0.000 0.261 658 G HA3 0.483 4.443 3.960 0.000 0.000 0.261 658 G C 0.565 175.481 174.900 0.026 0.000 1.173 658 G CA 1.288 46.405 45.100 0.030 0.000 0.835 658 G HN 0.999 nan 8.290 nan 0.000 0.534 659 S N -0.070 115.650 115.700 0.032 0.000 2.580 659 S HA 0.543 5.013 4.470 0.000 0.000 0.274 659 S C 0.869 175.488 174.600 0.031 0.000 1.329 659 S CA -0.223 57.990 58.200 0.021 0.000 1.036 659 S CB 1.608 64.821 63.200 0.021 0.000 0.919 659 S HN 0.392 nan 8.310 nan 0.000 0.515 660 G N 0.670 109.483 108.800 0.021 0.000 2.504 660 G HA2 0.405 4.365 3.960 0.000 0.000 0.288 660 G HA3 0.405 4.365 3.960 0.000 0.000 0.288 660 G C 0.797 175.727 174.900 0.050 0.000 1.182 660 G CA -0.772 44.352 45.100 0.040 0.000 0.894 660 G HN 0.731 nan 8.290 nan 0.000 0.521 661 L N 0.229 121.496 121.223 0.073 0.000 2.261 661 L HA -0.089 4.251 4.340 0.000 0.000 0.216 661 L C 2.096 179.027 176.870 0.101 0.000 1.114 661 L CA 1.460 56.344 54.840 0.074 0.000 0.777 661 L CB -0.131 41.966 42.059 0.064 0.000 0.910 661 L HN 0.705 nan 8.230 nan 0.000 0.440 662 D N -0.831 119.598 120.400 0.049 0.000 2.339 662 D HA -0.082 4.558 4.640 0.000 0.000 0.217 662 D C 0.439 176.660 176.300 -0.133 0.000 1.050 662 D CA 0.151 54.171 54.000 0.032 0.000 0.856 662 D CB 0.038 40.808 40.800 -0.051 0.000 0.922 662 D HN 0.368 nan 8.370 nan 0.000 0.518 663 E N 0.768 120.909 120.200 -0.099 0.000 2.989 663 E HA 0.203 4.554 4.350 0.000 0.000 0.224 663 E C -0.655 175.844 176.600 -0.168 0.000 1.175 663 E CA -0.664 55.605 56.400 -0.217 0.000 1.300 663 E CB 0.031 29.669 29.700 -0.104 0.000 1.422 663 E HN 0.279 nan 8.360 nan 0.000 0.439 664 F N -1.019 118.883 119.950 -0.081 0.000 2.399 664 F HA 0.557 5.084 4.527 0.000 0.000 0.328 664 F C 0.107 175.893 175.800 -0.023 0.000 1.084 664 F CA -1.494 56.472 58.000 -0.056 0.000 1.053 664 F CB 0.463 39.412 39.000 -0.085 0.000 1.209 664 F HN -0.122 nan 8.300 nan 0.000 0.502 665 I N 2.181 122.885 120.570 0.224 0.000 2.395 665 I HA 0.148 4.319 4.170 0.000 0.000 0.289 665 I C 0.030 176.353 176.117 0.343 0.000 1.023 665 I CA -0.047 61.355 61.300 0.171 0.000 1.350 665 I CB 0.708 38.778 38.000 0.118 0.000 1.409 665 I HN 0.750 nan 8.210 nan 0.000 0.507 666 N N 4.476 123.367 118.700 0.318 0.000 2.430 666 N HA 0.319 5.059 4.740 0.000 0.000 0.298 666 N C -0.780 174.927 175.510 0.328 0.000 1.130 666 N CA -0.762 52.530 53.050 0.404 0.000 0.894 666 N CB 1.376 40.139 38.487 0.459 0.000 1.209 666 N HN 0.341 nan 8.380 nan 0.000 0.503 667 F N 2.054 122.147 119.950 0.238 0.000 2.529 667 F HA 0.157 4.684 4.527 0.000 0.000 0.365 667 F C -0.276 175.615 175.800 0.153 0.000 1.102 667 F CA 0.163 58.282 58.000 0.198 0.000 1.271 667 F CB 0.483 39.615 39.000 0.220 0.000 1.120 667 F HN 0.335 nan 8.300 nan 0.000 0.579 668 D N 8.380 128.286 120.400 -0.824 0.000 2.478 668 D HA 0.214 4.854 4.640 0.000 0.000 0.240 668 D C -2.036 173.759 176.300 -0.840 0.000 1.364 668 D CA -1.706 51.871 54.000 -0.705 0.000 0.987 668 D CB 2.155 42.801 40.800 -0.256 0.000 1.328 668 D HN 0.244 nan 8.370 nan 0.000 0.584 669 P HA -0.180 nan 4.420 nan 0.000 0.216 669 P C 1.156 178.355 177.300 -0.169 0.000 1.150 669 P CA 1.011 63.878 63.100 -0.387 0.000 0.843 669 P CB 0.783 32.395 31.700 -0.147 0.000 0.787 670 E N -0.142 119.964 120.200 -0.157 0.000 2.047 670 E HA -0.105 4.245 4.350 0.000 0.000 0.191 670 E C 2.052 178.612 176.600 -0.067 0.000 0.987 670 E CA 1.003 57.354 56.400 -0.081 0.000 0.799 670 E CB -0.261 29.397 29.700 -0.069 0.000 0.752 670 E HN -0.058 nan 8.360 nan 0.000 0.449 671 V N 1.276 121.134 119.914 -0.094 0.000 2.407 671 V HA -0.242 3.878 4.120 0.000 0.000 0.248 671 V C 2.353 178.434 176.094 -0.021 0.000 1.055 671 V CA 2.139 64.406 62.300 -0.055 0.000 1.049 671 V CB -0.573 31.215 31.823 -0.059 0.000 0.662 671 V HN 0.364 nan 8.190 nan 0.000 0.455 672 E N 0.433 120.615 120.200 -0.030 0.000 2.051 672 E HA -0.273 4.077 4.350 0.000 0.000 0.192 672 E C 2.527 179.160 176.600 0.056 0.000 0.991 672 E CA 1.252 57.685 56.400 0.057 0.000 0.799 672 E CB -0.178 29.601 29.700 0.130 0.000 0.748 672 E HN 0.351 nan 8.360 nan 0.000 0.449 673 R N 0.620 121.141 120.500 0.035 0.000 2.096 673 R HA -0.181 4.159 4.340 0.000 0.000 0.235 673 R C 2.120 178.437 176.300 0.028 0.000 1.127 673 R CA 1.879 58.003 56.100 0.041 0.000 0.968 673 R CB -0.212 30.106 30.300 0.030 0.000 0.861 673 R HN 0.335 nan 8.270 nan 0.000 0.440 674 Q N -0.327 119.480 119.800 0.012 0.000 2.046 674 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 674 Q C 2.235 178.233 176.000 -0.003 0.000 0.975 674 Q CA 1.468 57.273 55.803 0.004 0.000 0.836 674 Q CB 0.024 28.759 28.738 -0.004 0.000 0.896 674 Q HN 0.270 nan 8.270 nan 0.000 0.428 675 Q N -0.329 119.479 119.800 0.014 0.000 2.124 675 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 675 Q C 2.120 178.096 176.000 -0.039 0.000 0.977 675 Q CA 1.656 57.476 55.803 0.028 0.000 0.850 675 Q CB -0.536 28.263 28.738 0.102 0.000 0.901 675 Q HN 0.408 nan 8.270 nan 0.000 0.429 676 T N 1.441 115.978 114.554 -0.028 0.000 2.652 676 T HA -0.166 4.184 4.350 0.000 0.000 0.267 676 T C 1.712 176.280 174.700 -0.221 0.000 1.039 676 T CA 1.576 63.601 62.100 -0.125 0.000 1.153 676 T CB -0.148 68.723 68.868 0.005 0.000 0.863 676 T HN 0.397 nan 8.240 nan 0.000 0.428 677 E N 0.576 120.760 120.200 -0.028 0.000 2.038 677 E HA -0.143 4.207 4.350 0.000 0.000 0.195 677 E C 2.167 178.742 176.600 -0.042 0.000 1.000 677 E CA 1.054 57.482 56.400 0.047 0.000 0.803 677 E CB -0.343 29.382 29.700 0.041 0.000 0.750 677 E HN 0.190 nan 8.360 nan 0.000 0.448 678 L N 1.443 122.600 121.223 -0.111 0.000 2.127 678 L HA -0.209 4.131 4.340 0.000 0.000 0.211 678 L C 2.301 178.960 176.870 -0.353 0.000 1.089 678 L CA 1.760 56.490 54.840 -0.184 0.000 0.757 678 L CB -0.338 41.614 42.059 -0.177 0.000 0.899 678 L HN -0.024 nan 8.230 nan 0.000 0.434 679 R N -1.862 118.359 120.500 -0.464 0.000 2.062 679 R HA -0.164 4.176 4.340 0.000 0.000 0.231 679 R C 2.363 178.569 176.300 -0.157 0.000 1.136 679 R CA 1.379 57.200 56.100 -0.465 0.000 0.948 679 R CB -0.372 29.769 30.300 -0.265 0.000 0.845 679 R HN 0.497 nan 8.270 nan 0.000 0.430 680 H N 0.759 119.823 119.070 -0.009 0.000 2.390 680 H HA -0.117 4.439 4.556 0.000 0.000 0.298 680 H C 1.938 177.264 175.328 -0.003 0.000 1.106 680 H CA 1.700 57.758 56.048 0.017 0.000 1.297 680 H CB -0.045 29.723 29.762 0.011 0.000 1.375 680 H HN 0.293 nan 8.280 nan 0.000 0.509 681 K N 0.611 121.058 120.400 0.078 0.000 2.001 681 K HA -0.067 4.253 4.320 0.000 0.000 0.208 681 K C 2.487 179.098 176.600 0.019 0.000 1.048 681 K CA 0.891 57.199 56.287 0.035 0.000 0.932 681 K CB -0.034 32.469 32.500 0.005 0.000 0.715 681 K HN 0.156 nan 8.250 nan 0.000 0.437 682 R N 0.439 120.927 120.500 -0.019 0.000 2.105 682 R HA -0.097 4.243 4.340 0.000 0.000 0.239 682 R C 2.170 178.495 176.300 0.042 0.000 1.135 682 R CA 1.797 57.896 56.100 -0.002 0.000 0.967 682 R CB -0.461 29.820 30.300 -0.032 0.000 0.861 682 R HN 0.366 nan 8.270 nan 0.000 0.442 683 T N -2.542 112.062 114.554 0.083 0.000 3.219 683 T HA 0.167 4.517 4.350 0.000 0.000 0.249 683 T C 1.123 175.875 174.700 0.087 0.000 1.099 683 T CA 0.314 62.496 62.100 0.137 0.000 0.988 683 T CB 0.464 69.504 68.868 0.288 0.000 0.999 683 T HN 0.387 nan 8.240 nan 0.000 0.550 684 G N 0.834 109.670 108.800 0.059 0.000 2.305 684 G HA2 0.058 4.018 3.960 0.000 0.000 0.287 684 G HA3 0.058 4.018 3.960 0.000 0.000 0.287 684 G C 1.105 176.019 174.900 0.025 0.000 1.036 684 G CA 0.325 45.446 45.100 0.035 0.000 0.887 684 G HN 1.799 nan 8.290 nan 0.000 0.505 685 G N -1.193 107.639 108.800 0.054 0.000 2.184 685 G HA2 -0.334 3.626 3.960 0.000 0.000 0.264 685 G HA3 -0.334 3.626 3.960 0.000 0.000 0.264 685 G C 1.358 176.245 174.900 -0.023 0.000 0.975 685 G CA 1.370 46.490 45.100 0.033 0.000 0.642 685 G HN 0.760 nan 8.290 nan 0.000 0.536 686 K N -0.118 120.241 120.400 -0.068 0.000 2.103 686 K HA 0.055 4.375 4.320 0.000 0.000 0.204 686 K C 1.045 177.267 176.600 -0.630 0.000 1.052 686 K CA 1.317 57.412 56.287 -0.321 0.000 0.945 686 K CB -0.064 32.251 32.500 -0.308 0.000 0.722 686 K HN 0.711 nan 8.250 nan 0.000 0.443 687 H N 0.000 119.142 119.070 0.120 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.117 56.048 0.115 0.000 1.023 687 H CB 0.000 29.782 29.762 0.032 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496