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 3lq4_1_B DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDA PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.131 176.117 0.024 0.000 1.063 56 I CA 0.000 61.312 61.300 0.020 0.000 1.566 56 I CB 0.000 38.018 38.000 0.030 0.000 1.214 57 S N 0.588 116.305 115.700 0.028 0.000 2.806 57 S HA 0.572 5.045 4.470 0.005 0.000 0.315 57 S C -0.466 174.172 174.600 0.063 0.000 1.127 57 S CA -0.937 57.283 58.200 0.033 0.000 0.918 57 S CB 1.163 64.371 63.200 0.014 0.000 1.240 57 S HN 0.717 nan 8.310 nan 0.000 0.552 58 N N 0.590 119.331 118.700 0.069 0.000 2.395 58 N HA 0.029 4.772 4.740 0.005 0.000 0.246 58 N C -0.778 174.826 175.510 0.158 0.000 1.246 58 N CA 0.229 53.349 53.050 0.116 0.000 0.879 58 N CB -0.225 38.323 38.487 0.101 0.000 1.098 58 N HN 0.689 nan 8.380 nan 0.000 0.444 59 Y N 2.361 122.702 120.300 0.069 0.000 3.103 59 Y HA 0.160 4.713 4.550 0.005 0.000 0.389 59 Y C 0.447 176.448 175.900 0.170 0.000 1.082 59 Y CA -0.158 57.984 58.100 0.070 0.000 1.987 59 Y CB -0.808 37.736 38.460 0.141 0.000 2.096 59 Y HN 0.350 nan 8.280 nan 0.000 0.423 60 I N -2.933 117.672 120.570 0.059 0.000 3.343 60 I HA 0.530 4.703 4.170 0.005 0.000 0.315 60 I C -0.603 175.480 176.117 -0.057 0.000 1.153 60 I CA -1.635 59.733 61.300 0.113 0.000 0.952 60 I CB 1.317 39.429 38.000 0.186 0.000 1.287 60 I HN -0.231 nan 8.210 nan 0.000 0.472 61 N N 1.624 120.323 118.700 -0.001 0.000 2.454 61 N HA 0.112 4.855 4.740 0.005 0.000 0.254 61 N C 0.739 176.224 175.510 -0.041 0.000 1.228 61 N CA 0.064 53.079 53.050 -0.059 0.000 0.900 61 N CB 0.932 39.421 38.487 0.004 0.000 1.089 61 N HN 0.672 nan 8.380 nan 0.000 0.449 62 T N 1.183 115.691 114.554 -0.076 0.000 2.904 62 T HA 0.075 4.428 4.350 0.005 0.000 0.267 62 T C 0.989 175.672 174.700 -0.028 0.000 1.059 62 T CA 0.788 62.853 62.100 -0.057 0.000 1.137 62 T CB 0.021 68.837 68.868 -0.086 0.000 0.879 62 T HN 0.413 nan 8.240 nan 0.000 0.467 63 I N 3.931 124.487 120.570 -0.023 0.000 2.306 63 I HA 0.258 4.431 4.170 0.005 0.000 0.288 63 I C -2.139 173.997 176.117 0.032 0.000 1.036 63 I CA -2.459 58.842 61.300 0.003 0.000 1.221 63 I CB 1.229 39.229 38.000 0.000 0.000 1.385 63 I HN 0.002 nan 8.210 nan 0.000 0.472 64 P HA 0.067 nan 4.420 nan 0.000 0.272 64 P C 1.096 178.436 177.300 0.067 0.000 1.230 64 P CA -0.289 62.846 63.100 0.058 0.000 0.788 64 P CB 1.530 33.261 31.700 0.052 0.000 0.949 65 V N 1.287 121.250 119.914 0.081 0.000 2.453 65 V HA -0.251 3.872 4.120 0.005 0.000 0.252 65 V C 2.285 178.423 176.094 0.074 0.000 1.068 65 V CA 2.094 64.445 62.300 0.086 0.000 1.070 65 V CB -1.376 30.503 31.823 0.093 0.000 0.664 65 V HN 0.516 nan 8.190 nan 0.000 0.461 66 E N 0.301 120.539 120.200 0.064 0.000 2.153 66 E HA -0.172 4.181 4.350 0.005 0.000 0.194 66 E C 2.053 178.684 176.600 0.053 0.000 0.988 66 E CA 1.146 57.579 56.400 0.055 0.000 0.811 66 E CB -0.218 29.511 29.700 0.047 0.000 0.746 66 E HN 0.703 nan 8.360 nan 0.000 0.466 67 E N 0.058 120.289 120.200 0.052 0.000 2.474 67 E HA 0.024 4.377 4.350 0.005 0.000 0.195 67 E C 0.175 176.813 176.600 0.063 0.000 1.039 67 E CA -0.207 56.223 56.400 0.049 0.000 0.881 67 E CB 0.304 30.026 29.700 0.037 0.000 0.970 67 E HN 0.200 nan 8.360 nan 0.000 0.486 68 Q N 2.715 122.562 119.800 0.078 0.000 2.304 68 Q HA 0.115 4.458 4.340 0.005 0.000 0.260 68 Q C -2.139 173.936 176.000 0.124 0.000 0.965 68 Q CA -1.825 54.042 55.803 0.107 0.000 0.898 68 Q CB 0.677 29.482 28.738 0.112 0.000 1.196 68 Q HN -0.062 nan 8.270 nan 0.000 0.402 69 P HA 0.114 nan 4.420 nan 0.000 0.276 69 P C -1.090 176.313 177.300 0.172 0.000 1.252 69 P CA -0.280 62.927 63.100 0.177 0.000 0.802 69 P CB 0.869 32.717 31.700 0.246 0.000 1.035 70 E N 0.208 120.469 120.200 0.101 0.000 2.360 70 E HA 0.020 4.373 4.350 0.005 0.000 0.269 70 E C -0.504 176.068 176.600 -0.047 0.000 1.022 70 E CA -0.216 56.215 56.400 0.052 0.000 0.887 70 E CB 0.152 29.865 29.700 0.023 0.000 0.990 70 E HN 0.373 nan 8.360 nan 0.000 0.426 71 Y N 5.488 125.669 120.300 -0.198 0.000 2.544 71 Y HA 0.022 4.575 4.550 0.005 0.000 0.330 71 Y C -1.285 174.372 175.900 -0.405 0.000 1.136 71 Y CA -1.720 56.115 58.100 -0.441 0.000 1.417 71 Y CB 0.746 39.052 38.460 -0.257 0.000 1.229 71 Y HN 0.453 nan 8.280 nan 0.000 0.532 72 P HA 0.116 nan 4.420 nan 0.000 0.240 72 P C 0.368 177.402 177.300 -0.443 0.000 1.190 72 P CA 0.546 63.263 63.100 -0.638 0.000 0.781 72 P CB 0.481 31.796 31.700 -0.642 0.000 0.931 73 G N 0.580 108.981 108.800 -0.665 0.000 2.531 73 G HA2 0.178 4.141 3.960 0.005 0.000 0.313 73 G HA3 0.178 4.141 3.960 0.005 0.000 0.313 73 G C -0.576 174.481 174.900 0.262 0.000 1.238 73 G CA -0.434 44.702 45.100 0.060 0.000 0.994 73 G HN 0.022 nan 8.290 nan 0.000 0.493 74 N N 0.710 119.571 118.700 0.268 0.000 2.719 74 N HA 0.114 4.857 4.740 0.005 0.000 0.243 74 N C 1.685 177.217 175.510 0.037 0.000 1.104 74 N CA -0.284 52.809 53.050 0.072 0.000 0.981 74 N CB 0.548 38.964 38.487 -0.119 0.000 1.290 74 N HN 0.405 nan 8.380 nan 0.000 0.513 75 L N 1.968 123.262 121.223 0.119 0.000 2.021 75 L HA -0.248 4.095 4.340 0.005 0.000 0.215 75 L C 1.928 178.784 176.870 -0.023 0.000 1.074 75 L CA 1.621 56.478 54.840 0.029 0.000 0.760 75 L CB -0.121 41.906 42.059 -0.054 0.000 0.889 75 L HN 0.542 nan 8.230 nan 0.000 0.433 76 E N -0.231 119.945 120.200 -0.040 0.000 2.072 76 E HA -0.218 4.135 4.350 0.005 0.000 0.191 76 E C 2.352 178.893 176.600 -0.098 0.000 0.985 76 E CA 0.911 57.281 56.400 -0.050 0.000 0.801 76 E CB -0.109 29.566 29.700 -0.042 0.000 0.750 76 E HN 0.451 nan 8.360 nan 0.000 0.452 77 L N 1.097 122.204 121.223 -0.193 0.000 2.027 77 L HA -0.201 4.142 4.340 0.005 0.000 0.206 77 L C 2.268 178.958 176.870 -0.300 0.000 1.074 77 L CA 1.342 55.989 54.840 -0.320 0.000 0.745 77 L CB -0.163 41.542 42.059 -0.590 0.000 0.898 77 L HN 0.155 nan 8.230 nan 0.000 0.433 78 E N -0.617 119.423 120.200 -0.268 0.000 2.160 78 E HA -0.291 4.062 4.350 0.005 0.000 0.195 78 E C 2.193 178.798 176.600 0.008 0.000 0.991 78 E CA 0.964 57.315 56.400 -0.081 0.000 0.810 78 E CB -0.108 29.641 29.700 0.081 0.000 0.742 78 E HN 0.351 nan 8.360 nan 0.000 0.466 79 R N 1.043 121.548 120.500 0.008 0.000 2.092 79 R HA -0.078 4.265 4.340 0.005 0.000 0.231 79 R C 2.244 178.591 176.300 0.079 0.000 1.119 79 R CA 0.944 57.081 56.100 0.063 0.000 0.970 79 R CB 0.084 30.424 30.300 0.067 0.000 0.864 79 R HN 0.052 nan 8.270 nan 0.000 0.440 80 R N 0.205 120.727 120.500 0.035 0.000 2.081 80 R HA -0.097 4.246 4.340 0.005 0.000 0.235 80 R C 2.345 178.746 176.300 0.169 0.000 1.131 80 R CA 1.615 57.765 56.100 0.083 0.000 0.960 80 R CB -0.345 29.958 30.300 0.006 0.000 0.856 80 R HN 0.299 nan 8.270 nan 0.000 0.436 81 I N 0.136 120.746 120.570 0.067 0.000 2.179 81 I HA -0.287 3.886 4.170 0.005 0.000 0.242 81 I C 2.783 179.034 176.117 0.223 0.000 1.088 81 I CA 1.210 62.611 61.300 0.169 0.000 1.357 81 I CB -0.316 37.711 38.000 0.045 0.000 1.051 81 I HN 0.150 nan 8.210 nan 0.000 0.409 82 R N 0.784 121.377 120.500 0.154 0.000 2.081 82 R HA -0.152 4.191 4.340 0.005 0.000 0.235 82 R C 2.399 178.775 176.300 0.127 0.000 1.131 82 R CA 1.825 58.011 56.100 0.144 0.000 0.960 82 R CB -0.091 30.279 30.300 0.116 0.000 0.856 82 R HN 0.199 nan 8.270 nan 0.000 0.436 83 S N 0.231 116.014 115.700 0.138 0.000 2.382 83 S HA -0.116 4.357 4.470 0.005 0.000 0.228 83 S C 1.899 176.617 174.600 0.197 0.000 1.027 83 S CA 1.110 59.389 58.200 0.130 0.000 0.991 83 S CB -0.119 63.196 63.200 0.192 0.000 0.823 83 S HN 0.573 nan 8.310 nan 0.000 0.469 84 A N 1.239 124.204 122.820 0.241 0.000 1.930 84 A HA 0.012 4.335 4.320 0.005 0.000 0.217 84 A C 2.024 179.777 177.584 0.281 0.000 1.175 84 A CA 0.992 53.172 52.037 0.239 0.000 0.627 84 A CB -0.577 18.542 19.000 0.198 0.000 0.815 84 A HN 0.494 nan 8.150 nan 0.000 0.443 85 I N -1.048 119.674 120.570 0.252 0.000 2.233 85 I HA -0.229 3.944 4.170 0.005 0.000 0.243 85 I C 2.733 179.019 176.117 0.282 0.000 1.093 85 I CA 1.162 62.607 61.300 0.242 0.000 1.380 85 I CB -0.359 37.783 38.000 0.237 0.000 1.067 85 I HN 0.265 nan 8.210 nan 0.000 0.413 86 R N 0.085 120.732 120.500 0.246 0.000 2.091 86 R HA -0.236 4.107 4.340 0.005 0.000 0.238 86 R C 2.249 178.670 176.300 0.202 0.000 1.136 86 R CA 1.977 58.189 56.100 0.187 0.000 0.959 86 R CB -0.527 29.679 30.300 -0.157 0.000 0.856 86 R HN 0.557 nan 8.270 nan 0.000 0.437 87 W N 2.107 123.441 121.300 0.056 0.000 2.354 87 W HA -0.195 4.468 4.660 0.005 0.000 0.315 87 W C 1.225 177.788 176.519 0.073 0.000 1.206 87 W CA 1.426 58.809 57.345 0.065 0.000 1.290 87 W CB -0.324 29.174 29.460 0.063 0.000 1.152 87 W HN 0.122 nan 8.180 nan 0.000 0.489 88 N N 0.824 119.652 118.700 0.212 0.000 2.223 88 N HA -0.146 4.597 4.740 0.005 0.000 0.185 88 N C 1.787 177.284 175.510 -0.021 0.000 1.016 88 N CA 1.847 54.977 53.050 0.134 0.000 0.863 88 N CB -0.914 37.698 38.487 0.208 0.000 0.983 88 N HN 0.197 nan 8.380 nan 0.000 0.429 89 A N 1.301 124.108 122.820 -0.020 0.000 1.877 89 A HA -0.056 4.267 4.320 0.005 0.000 0.216 89 A C 2.340 179.842 177.584 -0.136 0.000 1.186 89 A CA 0.885 52.862 52.037 -0.099 0.000 0.620 89 A CB -0.656 18.342 19.000 -0.005 0.000 0.822 89 A HN 0.184 nan 8.150 nan 0.000 0.443 90 I N -0.519 119.975 120.570 -0.128 0.000 2.179 90 I HA -0.288 3.885 4.170 0.005 0.000 0.242 90 I C 2.626 178.564 176.117 -0.297 0.000 1.088 90 I CA 1.248 62.433 61.300 -0.191 0.000 1.357 90 I CB -0.324 37.542 38.000 -0.224 0.000 1.051 90 I HN 0.278 nan 8.210 nan 0.000 0.409 91 M N -0.037 119.298 119.600 -0.442 0.000 2.108 91 M HA -0.176 4.307 4.480 0.005 0.000 0.261 91 M C 2.432 178.576 176.300 -0.260 0.000 1.066 91 M CA 1.922 56.947 55.300 -0.459 0.000 1.107 91 M CB -1.744 30.480 32.600 -0.627 0.000 1.356 91 M HN 0.247 nan 8.290 nan 0.000 0.406 92 T N 1.020 115.493 114.554 -0.135 0.000 2.652 92 T HA -0.100 4.253 4.350 0.005 0.000 0.267 92 T C 2.092 176.676 174.700 -0.193 0.000 1.039 92 T CA 1.612 63.632 62.100 -0.133 0.000 1.153 92 T CB -0.437 68.232 68.868 -0.332 0.000 0.863 92 T HN 0.166 nan 8.240 nan 0.000 0.428 93 V N 1.432 121.201 119.914 -0.243 0.000 2.358 93 V HA -0.086 4.037 4.120 0.005 0.000 0.246 93 V C 2.494 178.577 176.094 -0.018 0.000 1.047 93 V CA 1.388 63.635 62.300 -0.089 0.000 1.035 93 V CB -0.692 31.093 31.823 -0.063 0.000 0.658 93 V HN 0.431 nan 8.190 nan 0.000 0.452 94 L N -0.718 120.454 121.223 -0.086 0.000 2.093 94 L HA -0.128 4.215 4.340 0.005 0.000 0.208 94 L C 2.799 179.629 176.870 -0.066 0.000 1.085 94 L CA 1.452 56.244 54.840 -0.080 0.000 0.755 94 L CB -0.593 41.383 42.059 -0.137 0.000 0.904 94 L HN 0.229 nan 8.230 nan 0.000 0.435 95 R N -0.005 120.443 120.500 -0.086 0.000 2.096 95 R HA -0.129 4.214 4.340 0.005 0.000 0.235 95 R C 2.409 178.709 176.300 -0.001 0.000 1.127 95 R CA 1.328 57.391 56.100 -0.062 0.000 0.968 95 R CB -0.401 29.853 30.300 -0.076 0.000 0.861 95 R HN 0.349 nan 8.270 nan 0.000 0.440 96 A N 0.509 123.363 122.820 0.056 0.000 1.898 96 A HA -0.123 4.200 4.320 0.005 0.000 0.216 96 A C 2.220 179.832 177.584 0.046 0.000 1.181 96 A CA 1.586 53.681 52.037 0.097 0.000 0.620 96 A CB -0.331 18.822 19.000 0.255 0.000 0.819 96 A HN 0.206 nan 8.150 nan 0.000 0.442 97 S N -0.546 115.174 115.700 0.034 0.000 2.382 97 S HA -0.146 4.327 4.470 0.005 0.000 0.228 97 S C 1.960 176.559 174.600 -0.001 0.000 1.027 97 S CA 1.523 59.731 58.200 0.013 0.000 0.991 97 S CB -0.222 62.982 63.200 0.006 0.000 0.823 97 S HN 0.674 nan 8.310 nan 0.000 0.469 98 K N 1.458 121.852 120.400 -0.010 0.000 2.152 98 K HA -0.099 4.224 4.320 0.005 0.000 0.206 98 K C 1.709 178.301 176.600 -0.014 0.000 1.048 98 K CA 1.141 57.418 56.287 -0.017 0.000 0.933 98 K CB -0.051 32.431 32.500 -0.029 0.000 0.721 98 K HN 0.222 nan 8.250 nan 0.000 0.447 99 K N 0.428 120.822 120.400 -0.010 0.000 2.360 99 K HA -0.148 4.175 4.320 0.005 0.000 0.201 99 K C 0.173 176.766 176.600 -0.012 0.000 1.046 99 K CA 1.033 57.313 56.287 -0.012 0.000 0.945 99 K CB -0.168 32.325 32.500 -0.012 0.000 0.750 99 K HN 0.235 nan 8.250 nan 0.000 0.464 100 D N 0.121 120.516 120.400 -0.009 0.000 2.689 100 D HA -0.171 4.472 4.640 0.005 0.000 0.237 100 D C -0.481 175.813 176.300 -0.010 0.000 1.148 100 D CA 0.463 54.458 54.000 -0.008 0.000 0.656 100 D CB -1.004 39.791 40.800 -0.008 0.000 1.050 100 D HN 0.212 nan 8.370 nan 0.000 0.426 101 L N 0.480 121.696 121.223 -0.011 0.000 3.066 101 L HA 0.218 4.561 4.340 0.005 0.000 0.265 101 L C 0.670 177.531 176.870 -0.015 0.000 1.232 101 L CA -0.426 54.406 54.840 -0.014 0.000 1.031 101 L CB 0.324 42.372 42.059 -0.018 0.000 1.379 101 L HN 0.006 nan 8.230 nan 0.000 0.563 102 E N -0.193 119.999 120.200 -0.013 0.000 2.722 102 E HA -0.245 4.108 4.350 0.005 0.000 0.265 102 E C 1.140 177.727 176.600 -0.022 0.000 1.081 102 E CA 0.525 56.917 56.400 -0.013 0.000 0.781 102 E CB -1.821 27.873 29.700 -0.009 0.000 1.372 102 E HN 0.516 nan 8.360 nan 0.000 0.423 103 L N -0.770 120.435 121.223 -0.030 0.000 2.017 103 L HA -0.110 4.233 4.340 0.005 0.000 0.208 103 L C 1.630 178.461 176.870 -0.066 0.000 1.073 103 L CA 1.600 56.403 54.840 -0.062 0.000 0.745 103 L CB -0.590 41.428 42.059 -0.068 0.000 0.894 103 L HN 0.513 nan 8.230 nan 0.000 0.432 104 G N -1.112 107.671 108.800 -0.028 0.000 2.627 104 G HA2 0.232 4.195 3.960 0.005 0.000 0.214 104 G HA3 0.232 4.195 3.960 0.005 0.000 0.214 104 G C -0.089 174.828 174.900 0.027 0.000 1.331 104 G CA -0.422 44.660 45.100 -0.029 0.000 0.891 104 G HN 0.920 nan 8.290 nan 0.000 0.539 105 G N -1.975 106.815 108.800 -0.017 0.000 2.453 105 G HA2 0.586 4.549 3.960 0.005 0.000 0.665 105 G HA3 0.586 4.549 3.960 0.005 0.000 0.665 105 G C -0.984 173.909 174.900 -0.013 0.000 1.411 105 G CA 0.374 45.570 45.100 0.160 0.000 0.889 105 G HN 1.802 nan 8.290 nan 0.000 0.651 106 H N 0.585 119.804 119.070 0.249 0.000 2.616 106 H HA 0.822 5.381 4.556 0.005 0.000 0.353 106 H C 1.229 176.675 175.328 0.196 0.000 1.170 106 H CA -0.843 55.341 56.048 0.227 0.000 1.212 106 H CB 1.884 31.827 29.762 0.301 0.000 1.653 106 H HN 0.470 nan 8.280 nan 0.000 0.537 107 M N -0.079 119.708 119.600 0.311 0.000 2.227 107 M HA 0.224 4.707 4.480 0.005 0.000 0.226 107 M C 1.995 178.463 176.300 0.280 0.000 1.423 107 M CA 0.600 56.050 55.300 0.251 0.000 1.055 107 M CB 0.429 33.126 32.600 0.161 0.000 1.572 107 M HN 0.653 nan 8.290 nan 0.000 0.567 108 A N 0.240 123.220 122.820 0.267 0.000 1.908 108 A HA -0.173 4.150 4.320 0.005 0.000 0.218 108 A C 2.196 179.943 177.584 0.271 0.000 1.181 108 A CA 2.491 54.679 52.037 0.251 0.000 0.627 108 A CB -0.841 18.294 19.000 0.224 0.000 0.818 108 A HN 0.442 nan 8.150 nan 0.000 0.445 109 S N -1.614 114.278 115.700 0.321 0.000 2.356 109 S HA -0.149 4.324 4.470 0.005 0.000 0.223 109 S C 1.751 176.529 174.600 0.296 0.000 1.032 109 S CA 1.584 59.973 58.200 0.314 0.000 1.005 109 S CB -0.490 62.959 63.200 0.416 0.000 0.867 109 S HN 0.609 nan 8.310 nan 0.000 0.449 110 F N 2.365 122.419 119.950 0.173 0.000 2.216 110 F HA 0.015 4.545 4.527 0.005 0.000 0.300 110 F C 2.425 178.334 175.800 0.181 0.000 1.085 110 F CA 1.418 59.511 58.000 0.154 0.000 1.326 110 F CB -0.578 38.477 39.000 0.091 0.000 1.027 110 F HN 0.215 nan 8.300 nan 0.000 0.497 111 Q N 0.141 119.972 119.800 0.053 0.000 2.124 111 Q HA -0.160 4.183 4.340 0.005 0.000 0.202 111 Q C 2.564 178.632 176.000 0.114 0.000 0.977 111 Q CA 1.810 57.626 55.803 0.022 0.000 0.850 111 Q CB -0.741 28.119 28.738 0.203 0.000 0.901 111 Q HN 0.584 nan 8.270 nan 0.000 0.429 112 S N -0.388 115.404 115.700 0.153 0.000 2.461 112 S HA -0.039 4.434 4.470 0.005 0.000 0.228 112 S C 1.810 176.389 174.600 -0.035 0.000 1.005 112 S CA 1.038 59.328 58.200 0.150 0.000 0.942 112 S CB -0.030 63.260 63.200 0.150 0.000 0.776 112 S HN 0.300 nan 8.310 nan 0.000 0.514 113 S N 0.027 115.717 115.700 -0.017 0.000 2.559 113 S HA 0.622 5.095 4.470 0.005 0.000 0.226 113 S C 1.697 176.305 174.600 0.013 0.000 1.000 113 S CA 0.118 58.316 58.200 -0.003 0.000 0.948 113 S CB 0.140 63.438 63.200 0.165 0.000 0.870 113 S HN 0.601 nan 8.310 nan 0.000 0.497 114 A N 2.505 125.165 122.820 -0.267 0.000 1.917 114 A HA -0.090 4.233 4.320 0.005 0.000 0.219 114 A C 2.272 179.858 177.584 0.002 0.000 1.182 114 A CA 2.393 54.193 52.037 -0.395 0.000 0.633 114 A CB -1.714 16.822 19.000 -0.772 0.000 0.819 114 A HN 0.566 nan 8.150 nan 0.000 0.448 115 T N 0.058 114.604 114.554 -0.013 0.000 2.867 115 T HA -0.025 4.328 4.350 0.005 0.000 0.268 115 T C 1.758 176.507 174.700 0.080 0.000 1.057 115 T CA 1.324 63.456 62.100 0.054 0.000 1.136 115 T CB -0.364 68.521 68.868 0.028 0.000 0.874 115 T HN 0.447 nan 8.240 nan 0.000 0.466 116 I N -0.182 120.408 120.570 0.032 0.000 2.202 116 I HA -0.160 4.013 4.170 0.005 0.000 0.242 116 I C 2.115 178.237 176.117 0.008 0.000 1.091 116 I CA 1.480 62.805 61.300 0.042 0.000 1.368 116 I CB -0.343 37.658 38.000 0.001 0.000 1.058 116 I HN 0.196 nan 8.210 nan 0.000 0.410 117 Y N 0.531 120.905 120.300 0.123 0.000 2.242 117 Y HA -0.253 4.300 4.550 0.005 0.000 0.291 117 Y C 2.278 178.282 175.900 0.173 0.000 1.137 117 Y CA 1.558 59.721 58.100 0.105 0.000 1.181 117 Y CB -0.593 38.071 38.460 0.340 0.000 0.989 117 Y HN 0.195 nan 8.280 nan 0.000 0.527 118 D N -0.432 120.192 120.400 0.372 0.000 2.117 118 D HA -0.160 4.483 4.640 0.005 0.000 0.197 118 D C 2.164 178.604 176.300 0.233 0.000 0.987 118 D CA 1.214 55.408 54.000 0.323 0.000 0.829 118 D CB -0.103 40.844 40.800 0.244 0.000 0.961 118 D HN 0.081 nan 8.370 nan 0.000 0.460 119 V N -0.294 119.735 119.914 0.192 0.000 2.407 119 V HA -0.278 3.845 4.120 0.005 0.000 0.248 119 V C 2.649 178.807 176.094 0.106 0.000 1.055 119 V CA 1.443 63.914 62.300 0.284 0.000 1.049 119 V CB -0.389 31.636 31.823 0.336 0.000 0.662 119 V HN 0.452 nan 8.190 nan 0.000 0.455 120 C N -0.817 118.292 119.300 -0.319 0.000 2.446 120 C HA -0.096 4.367 4.460 0.005 0.000 0.277 120 C C 2.488 177.004 174.990 -0.791 0.000 1.275 120 C CA 0.566 59.047 59.018 -0.894 0.000 1.727 120 C CB -1.185 25.386 27.740 -1.948 0.000 2.010 120 C HN 0.530 nan 8.230 nan 0.000 0.486 121 F N 1.697 121.438 119.950 -0.348 0.000 2.234 121 F HA -0.068 4.461 4.527 0.005 0.000 0.299 121 F C 2.299 178.022 175.800 -0.129 0.000 1.087 121 F CA 1.278 59.238 58.000 -0.067 0.000 1.340 121 F CB -0.512 38.540 39.000 0.087 0.000 1.031 121 F HN 0.305 nan 8.300 nan 0.000 0.500 122 N N -1.534 117.143 118.700 -0.037 0.000 2.395 122 N HA -0.058 4.685 4.740 0.005 0.000 0.175 122 N C 1.021 176.076 175.510 -0.758 0.000 1.029 122 N CA 1.001 53.830 53.050 -0.368 0.000 0.897 122 N CB -0.063 38.179 38.487 -0.408 0.000 0.991 122 N HN 0.385 nan 8.380 nan 0.000 0.441 123 H N -2.753 116.213 119.070 -0.172 0.000 3.540 123 H HA 0.225 4.783 4.556 0.005 0.000 0.259 123 H C 0.319 175.166 175.328 -0.801 0.000 1.197 123 H CA -0.066 55.713 56.048 -0.450 0.000 1.136 123 H CB 0.523 29.989 29.762 -0.492 0.000 1.605 123 H HN 0.083 nan 8.280 nan 0.000 0.657 124 F N -0.441 119.444 119.950 -0.109 0.000 2.334 124 F HA 0.192 4.722 4.527 0.005 0.000 0.269 124 F C 0.402 176.226 175.800 0.041 0.000 0.879 124 F CA -0.413 57.532 58.000 -0.093 0.000 1.102 124 F CB -0.011 38.822 39.000 -0.279 0.000 1.032 124 F HN -0.183 nan 8.300 nan 0.000 0.782 125 F N 3.918 123.878 119.950 0.017 0.000 2.546 125 F HA 0.141 4.671 4.527 0.005 0.000 0.388 125 F C 0.737 176.571 175.800 0.056 0.000 1.051 125 F CA -0.456 57.530 58.000 -0.023 0.000 1.130 125 F CB -0.615 38.252 39.000 -0.222 0.000 1.044 125 F HN -0.209 nan 8.300 nan 0.000 0.553 126 R N 2.345 123.028 120.500 0.306 0.000 2.297 126 R HA 0.658 5.001 4.340 0.005 0.000 0.308 126 R C 0.114 176.511 176.300 0.162 0.000 1.029 126 R CA -0.682 55.549 56.100 0.218 0.000 0.929 126 R CB 1.026 31.455 30.300 0.214 0.000 1.046 126 R HN 0.673 nan 8.270 nan 0.000 0.461 127 A N 2.679 125.582 122.820 0.139 0.000 2.257 127 A HA 0.282 4.605 4.320 0.005 0.000 0.289 127 A C 0.095 177.710 177.584 0.052 0.000 1.095 127 A CA -0.619 51.472 52.037 0.090 0.000 0.836 127 A CB 0.422 19.463 19.000 0.067 0.000 1.111 127 A HN 0.827 nan 8.150 nan 0.000 0.497 128 R N 0.312 120.829 120.500 0.028 0.000 2.583 128 R HA 0.116 4.459 4.340 0.005 0.000 0.274 128 R C -0.119 176.164 176.300 -0.027 0.000 0.998 128 R CA 1.150 57.249 56.100 -0.001 0.000 1.081 128 R CB -0.090 30.211 30.300 0.001 0.000 0.940 128 R HN 0.984 nan 8.270 nan 0.000 0.413 129 N N -0.123 118.526 118.700 -0.086 0.000 3.157 129 N HA 0.045 4.788 4.740 0.005 0.000 0.291 129 N C -0.225 175.229 175.510 -0.094 0.000 1.515 129 N CA -0.907 52.059 53.050 -0.140 0.000 0.807 129 N CB 0.678 38.888 38.487 -0.462 0.000 1.672 129 N HN 0.620 nan 8.380 nan 0.000 0.592 130 E N -1.222 118.929 120.200 -0.082 0.000 2.204 130 E HA -0.193 4.160 4.350 0.005 0.000 0.195 130 E C 0.723 177.298 176.600 -0.042 0.000 0.990 130 E CA 1.284 57.662 56.400 -0.037 0.000 0.821 130 E CB 0.117 29.810 29.700 -0.012 0.000 0.750 130 E HN 0.486 nan 8.360 nan 0.000 0.477 131 Q N 0.506 120.259 119.800 -0.079 0.000 2.204 131 Q HA 0.069 4.412 4.340 0.005 0.000 0.198 131 Q C 0.130 176.101 176.000 -0.047 0.000 0.946 131 Q CA 1.221 56.990 55.803 -0.057 0.000 0.859 131 Q CB 0.326 29.024 28.738 -0.066 0.000 0.946 131 Q HN 0.452 nan 8.270 nan 0.000 0.474 132 D N -3.292 117.071 120.400 -0.063 0.000 2.677 132 D HA 0.322 4.965 4.640 0.005 0.000 0.298 132 D C 0.512 176.797 176.300 -0.025 0.000 1.250 132 D CA -0.385 53.596 54.000 -0.032 0.000 0.888 132 D CB 0.050 40.835 40.800 -0.025 0.000 1.397 132 D HN -0.086 nan 8.370 nan 0.000 0.461 133 G N -1.294 107.510 108.800 0.006 0.000 2.776 133 G HA2 0.425 4.388 3.960 0.005 0.000 0.209 133 G HA3 0.425 4.388 3.960 0.005 0.000 0.209 133 G C 0.988 175.904 174.900 0.026 0.000 1.145 133 G CA 0.459 45.570 45.100 0.019 0.000 0.791 133 G HN 1.130 nan 8.290 nan 0.000 0.530 134 G N -0.025 108.787 108.800 0.020 0.000 2.693 134 G HA2 -0.205 3.757 3.960 0.005 0.000 0.226 134 G HA3 -0.205 3.757 3.960 0.005 0.000 0.226 134 G C -0.802 174.152 174.900 0.089 0.000 1.354 134 G CA -0.269 44.860 45.100 0.047 0.000 0.873 134 G HN 0.244 nan 8.290 nan 0.000 0.562 135 D N 0.443 120.919 120.400 0.126 0.000 2.345 135 D HA 0.449 5.092 4.640 0.005 0.000 0.247 135 D C 0.671 177.045 176.300 0.124 0.000 1.108 135 D CA 0.137 54.237 54.000 0.167 0.000 0.894 135 D CB 0.942 41.933 40.800 0.317 0.000 1.203 135 D HN 0.461 nan 8.370 nan 0.000 0.430 136 L N 2.074 123.393 121.223 0.159 0.000 2.272 136 L HA 0.283 4.625 4.340 0.005 0.000 0.284 136 L C -0.406 176.554 176.870 0.150 0.000 1.045 136 L CA -0.830 54.136 54.840 0.210 0.000 0.842 136 L CB 0.956 43.140 42.059 0.207 0.000 1.224 136 L HN -0.052 nan 8.230 nan 0.000 0.430 137 V N 3.249 123.171 119.914 0.013 0.000 2.350 137 V HA 0.189 4.312 4.120 0.005 0.000 0.276 137 V C -0.486 175.518 176.094 -0.150 0.000 1.028 137 V CA -0.476 61.689 62.300 -0.226 0.000 0.860 137 V CB 0.873 32.059 31.823 -1.061 0.000 0.990 137 V HN 0.394 nan 8.190 nan 0.000 0.453 138 Y N 4.869 125.123 120.300 -0.076 0.000 2.714 138 Y HA 0.442 4.995 4.550 0.005 0.000 0.333 138 Y C 0.286 176.256 175.900 0.116 0.000 1.220 138 Y CA -1.048 57.081 58.100 0.049 0.000 1.513 138 Y CB -0.232 38.204 38.460 -0.041 0.000 1.435 138 Y HN 0.501 nan 8.280 nan 0.000 0.489 139 F N 1.020 121.131 119.950 0.270 0.000 2.572 139 F HA 0.002 4.532 4.527 0.005 0.000 0.370 139 F C 1.061 176.953 175.800 0.153 0.000 1.103 139 F CA -0.172 57.938 58.000 0.183 0.000 1.286 139 F CB 0.474 39.518 39.000 0.073 0.000 1.105 139 F HN 0.341 nan 8.300 nan 0.000 0.583 140 Q N 2.458 122.495 119.800 0.395 0.000 2.255 140 Q HA 0.104 4.447 4.340 0.005 0.000 0.280 140 Q C 1.388 177.402 176.000 0.023 0.000 1.068 140 Q CA 0.354 56.269 55.803 0.186 0.000 0.911 140 Q CB 0.992 29.826 28.738 0.160 0.000 1.157 140 Q HN 0.954 nan 8.270 nan 0.000 0.380 141 G N 3.935 112.734 108.800 -0.000 0.000 2.599 141 G HA2 -0.344 3.619 3.960 0.005 0.000 0.219 141 G HA3 -0.344 3.619 3.960 0.005 0.000 0.219 141 G C 0.907 175.838 174.900 0.051 0.000 1.193 141 G CA 1.243 46.310 45.100 -0.056 0.000 0.778 141 G HN 0.984 nan 8.290 nan 0.000 0.589 142 H N 0.637 119.703 119.070 -0.006 0.000 2.553 142 H HA 0.124 4.683 4.556 0.005 0.000 0.269 142 H C 1.872 177.275 175.328 0.126 0.000 1.011 142 H CA 0.753 56.856 56.048 0.091 0.000 1.150 142 H CB -0.507 29.052 29.762 -0.338 0.000 1.339 142 H HN 0.594 nan 8.280 nan 0.000 0.604 143 I N -0.911 119.598 120.570 -0.102 0.000 3.904 143 I HA 0.150 4.323 4.170 0.005 0.000 0.333 143 I C 1.910 177.891 176.117 -0.226 0.000 1.361 143 I CA 0.007 61.275 61.300 -0.054 0.000 1.116 143 I CB 0.145 38.187 38.000 0.069 0.000 1.028 143 I HN 0.048 nan 8.210 nan 0.000 0.398 144 S N 1.455 117.066 115.700 -0.149 0.000 2.392 144 S HA -0.080 4.393 4.470 0.005 0.000 0.232 144 S C -0.356 174.002 174.600 -0.402 0.000 1.041 144 S CA 1.319 59.357 58.200 -0.270 0.000 1.026 144 S CB -2.189 60.903 63.200 -0.179 0.000 0.845 144 S HN 0.385 nan 8.310 nan 0.000 0.465 145 P HA 0.046 nan 4.420 nan 0.000 0.218 145 P C 1.790 178.786 177.300 -0.505 0.000 1.148 145 P CA 1.547 64.461 63.100 -0.311 0.000 0.822 145 P CB -0.669 30.843 31.700 -0.313 0.000 0.784 146 G N -0.661 107.566 108.800 -0.955 0.000 2.421 146 G HA2 -0.162 3.801 3.960 0.005 0.000 0.217 146 G HA3 -0.162 3.801 3.960 0.005 0.000 0.217 146 G C 1.518 175.912 174.900 -0.842 0.000 1.143 146 G CA 0.413 44.512 45.100 -1.670 0.000 0.784 146 G HN 0.157 nan 8.290 nan 0.000 0.541 147 V N -0.069 119.447 119.914 -0.663 0.000 2.379 147 V HA -0.100 4.023 4.120 0.005 0.000 0.245 147 V C 2.378 178.305 176.094 -0.279 0.000 1.044 147 V CA 1.028 63.026 62.300 -0.503 0.000 1.036 147 V CB -0.679 30.806 31.823 -0.564 0.000 0.664 147 V HN 0.351 nan 8.190 nan 0.000 0.453 148 Y N 0.962 121.145 120.300 -0.195 0.000 2.224 148 Y HA -0.101 4.452 4.550 0.005 0.000 0.289 148 Y C 2.567 178.358 175.900 -0.183 0.000 1.146 148 Y CA 0.745 58.727 58.100 -0.197 0.000 1.182 148 Y CB -1.314 37.024 38.460 -0.203 0.000 0.983 148 Y HN 0.193 nan 8.280 nan 0.000 0.524 149 A N 0.264 123.048 122.820 -0.060 0.000 1.902 149 A HA -0.227 4.096 4.320 0.005 0.000 0.217 149 A C 2.407 180.015 177.584 0.041 0.000 1.181 149 A CA 1.897 53.922 52.037 -0.021 0.000 0.623 149 A CB -0.723 18.246 19.000 -0.053 0.000 0.818 149 A HN 0.434 nan 8.150 nan 0.000 0.443 150 R N -0.344 120.110 120.500 -0.076 0.000 2.075 150 R HA -0.041 4.302 4.340 0.005 0.000 0.232 150 R C 2.238 178.478 176.300 -0.100 0.000 1.126 150 R CA 1.456 57.483 56.100 -0.122 0.000 0.963 150 R CB -0.448 29.652 30.300 -0.333 0.000 0.858 150 R HN 0.390 nan 8.270 nan 0.000 0.435 151 A N 0.677 123.461 122.820 -0.060 0.000 1.902 151 A HA -0.194 4.129 4.320 0.005 0.000 0.217 151 A C 1.973 179.547 177.584 -0.017 0.000 1.181 151 A CA 1.349 53.382 52.037 -0.007 0.000 0.623 151 A CB -0.829 18.246 19.000 0.125 0.000 0.818 151 A HN 0.568 nan 8.150 nan 0.000 0.443 152 F N 0.590 120.460 119.950 -0.133 0.000 2.075 152 F HA -0.142 4.388 4.527 0.005 0.000 0.297 152 F C 1.839 177.580 175.800 -0.099 0.000 1.113 152 F CA 1.792 59.699 58.000 -0.154 0.000 1.218 152 F CB -0.476 38.395 39.000 -0.215 0.000 0.984 152 F HN 0.132 nan 8.300 nan 0.000 0.472 153 L N 0.128 121.220 121.223 -0.219 0.000 2.191 153 L HA -0.192 4.151 4.340 0.005 0.000 0.212 153 L C 2.057 178.810 176.870 -0.194 0.000 1.103 153 L CA 1.512 56.206 54.840 -0.243 0.000 0.769 153 L CB -0.637 41.422 42.059 0.001 0.000 0.908 153 L HN 0.234 nan 8.230 nan 0.000 0.438 154 E N -0.408 119.677 120.200 -0.193 0.000 2.481 154 E HA 0.020 4.373 4.350 0.005 0.000 0.195 154 E C 1.343 177.863 176.600 -0.133 0.000 1.047 154 E CA 0.489 56.766 56.400 -0.205 0.000 0.867 154 E CB 0.145 29.697 29.700 -0.245 0.000 0.858 154 E HN 0.520 nan 8.360 nan 0.000 0.513 155 G N 1.908 110.591 108.800 -0.195 0.000 2.136 155 G HA2 -0.335 3.628 3.960 0.005 0.000 0.242 155 G HA3 -0.335 3.628 3.960 0.005 0.000 0.242 155 G C 0.818 175.620 174.900 -0.162 0.000 0.989 155 G CA 0.354 45.346 45.100 -0.180 0.000 0.682 155 G HN 0.246 nan 8.290 nan 0.000 0.522 156 R N -1.021 119.383 120.500 -0.161 0.000 2.254 156 R HA 0.388 4.731 4.340 0.005 0.000 0.195 156 R C 0.915 177.163 176.300 -0.087 0.000 0.957 156 R CA 0.487 56.517 56.100 -0.118 0.000 1.024 156 R CB 0.320 30.568 30.300 -0.087 0.000 0.952 156 R HN 0.436 nan 8.270 nan 0.000 0.484 157 L N 0.165 121.343 121.223 -0.075 0.000 2.354 157 L HA 0.373 4.716 4.340 0.005 0.000 0.264 157 L C 0.262 177.154 176.870 0.037 0.000 1.008 157 L CA -0.952 53.844 54.840 -0.074 0.000 0.819 157 L CB 2.209 44.190 42.059 -0.130 0.000 1.339 157 L HN -0.021 nan 8.230 nan 0.000 0.420 158 T N -3.159 111.397 114.554 0.003 0.000 2.923 158 T HA 0.176 4.529 4.350 0.005 0.000 0.281 158 T C 0.522 175.233 174.700 0.018 0.000 0.995 158 T CA -0.481 61.657 62.100 0.063 0.000 0.985 158 T CB 1.755 70.621 68.868 -0.004 0.000 1.114 158 T HN 0.705 nan 8.240 nan 0.000 0.548 159 Q N -0.233 119.588 119.800 0.034 0.000 2.119 159 Q HA -0.144 4.199 4.340 0.005 0.000 0.201 159 Q C 2.080 177.978 176.000 -0.171 0.000 0.972 159 Q CA 1.607 57.279 55.803 -0.217 0.000 0.847 159 Q CB -0.137 28.587 28.738 -0.023 0.000 0.903 159 Q HN 0.918 nan 8.270 nan 0.000 0.433 160 E N -0.036 120.118 120.200 -0.075 0.000 2.153 160 E HA -0.242 4.111 4.350 0.005 0.000 0.194 160 E C 1.852 178.391 176.600 -0.100 0.000 0.988 160 E CA 1.192 57.554 56.400 -0.063 0.000 0.811 160 E CB 0.113 29.788 29.700 -0.041 0.000 0.746 160 E HN 0.478 nan 8.360 nan 0.000 0.466 161 Q N -0.052 119.661 119.800 -0.145 0.000 2.137 161 Q HA -0.052 4.291 4.340 0.005 0.000 0.198 161 Q C 2.380 178.239 176.000 -0.236 0.000 0.960 161 Q CA 0.923 56.613 55.803 -0.189 0.000 0.847 161 Q CB 0.091 28.695 28.738 -0.224 0.000 0.915 161 Q HN 0.367 nan 8.270 nan 0.000 0.448 162 L N 0.797 121.827 121.223 -0.321 0.000 2.141 162 L HA -0.172 4.171 4.340 0.005 0.000 0.209 162 L C 1.462 178.261 176.870 -0.118 0.000 1.094 162 L CA 0.726 55.352 54.840 -0.358 0.000 0.763 162 L CB -0.245 41.337 42.059 -0.795 0.000 0.908 162 L HN 0.189 nan 8.230 nan 0.000 0.437 163 D N 0.021 120.378 120.400 -0.071 0.000 2.312 163 D HA -0.104 4.539 4.640 0.005 0.000 0.211 163 D C 0.842 177.148 176.300 0.010 0.000 0.964 163 D CA 0.928 54.943 54.000 0.025 0.000 0.877 163 D CB -0.181 40.635 40.800 0.026 0.000 0.924 163 D HN 0.430 nan 8.370 nan 0.000 0.515 164 N N -0.160 118.526 118.700 -0.024 0.000 2.380 164 N HA 0.057 4.800 4.740 0.005 0.000 0.255 164 N C -0.347 175.149 175.510 -0.023 0.000 1.158 164 N CA -0.430 52.602 53.050 -0.031 0.000 0.878 164 N CB 0.252 38.705 38.487 -0.058 0.000 1.138 164 N HN -0.043 nan 8.380 nan 0.000 0.509 165 F N 2.119 121.986 119.950 -0.138 0.000 2.578 165 F HA 0.072 4.602 4.527 0.005 0.000 0.381 165 F C 1.053 176.803 175.800 -0.083 0.000 1.069 165 F CA 0.049 57.963 58.000 -0.143 0.000 1.231 165 F CB 0.114 39.051 39.000 -0.106 0.000 1.086 165 F HN 0.177 nan 8.300 nan 0.000 0.564 166 R N 3.041 123.139 120.500 -0.670 0.000 3.776 166 R HA -0.216 4.127 4.340 0.005 0.000 0.312 166 R C -0.708 175.442 176.300 -0.249 0.000 1.181 166 R CA 0.974 56.737 56.100 -0.562 0.000 0.836 166 R CB -1.875 27.973 30.300 -0.754 0.000 1.324 166 R HN 0.808 nan 8.270 nan 0.000 0.501 167 Q N 0.242 119.949 119.800 -0.156 0.000 3.255 167 Q HA 0.074 4.417 4.340 0.005 0.000 0.231 167 Q C 0.279 176.259 176.000 -0.033 0.000 0.935 167 Q CA -0.225 55.539 55.803 -0.066 0.000 0.714 167 Q CB 1.129 29.839 28.738 -0.046 0.000 1.345 167 Q HN 0.419 nan 8.270 nan 0.000 0.463 168 E N -0.307 119.878 120.200 -0.024 0.000 2.498 168 E HA 0.043 4.396 4.350 0.005 0.000 0.203 168 E C 0.947 177.552 176.600 0.008 0.000 1.013 168 E CA 0.069 56.464 56.400 -0.008 0.000 0.927 168 E CB 0.414 30.106 29.700 -0.012 0.000 1.012 168 E HN 0.181 nan 8.360 nan 0.000 0.482 169 V N 1.391 121.315 119.914 0.016 0.000 2.392 169 V HA -0.241 3.882 4.120 0.005 0.000 0.249 169 V C 1.290 177.301 176.094 -0.138 0.000 1.059 169 V CA 2.068 64.335 62.300 -0.055 0.000 1.051 169 V CB -0.750 31.026 31.823 -0.078 0.000 0.658 169 V HN 0.404 nan 8.190 nan 0.000 0.455 170 H N -0.305 118.750 119.070 -0.025 0.000 2.536 170 H HA 0.369 4.928 4.556 0.005 0.000 0.276 170 H C 1.685 176.999 175.328 -0.024 0.000 1.019 170 H CA 0.665 56.700 56.048 -0.023 0.000 1.159 170 H CB -0.028 29.720 29.762 -0.024 0.000 1.373 170 H HN 0.462 nan 8.280 nan 0.000 0.584 171 G N 1.093 109.916 108.800 0.037 0.000 2.268 171 G HA2 -0.355 3.607 3.960 0.005 0.000 0.240 171 G HA3 -0.355 3.607 3.960 0.005 0.000 0.240 171 G C 0.595 175.495 174.900 0.000 0.000 1.010 171 G CA 0.329 45.437 45.100 0.013 0.000 0.618 171 G HN 0.585 nan 8.290 nan 0.000 0.516 172 N N 0.341 119.042 118.700 0.001 0.000 2.541 172 N HA 0.556 5.299 4.740 0.005 0.000 0.297 172 N C 0.515 175.988 175.510 -0.063 0.000 1.503 172 N CA 0.519 53.548 53.050 -0.034 0.000 0.919 172 N CB 0.977 39.446 38.487 -0.030 0.000 1.305 172 N HN 0.707 nan 8.380 nan 0.000 0.501 173 G N -0.226 108.535 108.800 -0.066 0.000 3.016 173 G HA2 0.771 4.734 3.960 0.005 0.000 0.270 173 G HA3 0.771 4.734 3.960 0.005 0.000 0.270 173 G C -1.249 173.561 174.900 -0.150 0.000 1.352 173 G CA -0.913 44.128 45.100 -0.099 0.000 1.060 173 G HN 0.167 nan 8.290 nan 0.000 0.538 174 L N 0.428 121.541 121.223 -0.183 0.000 2.365 174 L HA 0.426 4.769 4.340 0.005 0.000 0.273 174 L C 0.132 176.958 176.870 -0.073 0.000 1.000 174 L CA -0.778 53.915 54.840 -0.246 0.000 0.819 174 L CB 2.269 43.943 42.059 -0.641 0.000 1.284 174 L HN 0.405 nan 8.230 nan 0.000 0.418 175 S N 0.079 115.866 115.700 0.144 0.000 2.585 175 S HA 0.031 4.503 4.470 0.005 0.000 0.273 175 S C 1.237 175.914 174.600 0.128 0.000 1.339 175 S CA -0.169 58.136 58.200 0.175 0.000 1.028 175 S CB 1.488 64.889 63.200 0.335 0.000 0.906 175 S HN 0.846 nan 8.310 nan 0.000 0.528 176 S N 1.359 116.974 115.700 -0.141 0.000 2.370 176 S HA -0.098 4.375 4.470 0.005 0.000 0.226 176 S C 0.133 174.425 174.600 -0.513 0.000 1.033 176 S CA 1.061 58.974 58.200 -0.478 0.000 1.011 176 S CB -0.514 62.228 63.200 -0.764 0.000 0.852 176 S HN 0.682 nan 8.310 nan 0.000 0.457 177 Y N 0.736 121.005 120.300 -0.050 0.000 2.693 177 Y HA 0.610 5.163 4.550 0.005 0.000 0.331 177 Y C -2.956 172.351 175.900 -0.989 0.000 1.092 177 Y CA -3.154 54.688 58.100 -0.430 0.000 1.131 177 Y CB 0.033 38.269 38.460 -0.373 0.000 1.318 177 Y HN -0.147 nan 8.280 nan 0.000 0.510 178 P HA 0.136 nan 4.420 nan 0.000 0.269 178 P C -1.137 175.665 177.300 -0.829 0.000 1.263 178 P CA 0.570 62.674 63.100 -1.660 0.000 0.813 178 P CB -0.029 30.945 31.700 -1.210 0.000 0.868 179 H N 4.531 123.487 119.070 -0.191 0.000 2.953 179 H HA 0.199 4.758 4.556 0.005 0.000 0.290 179 H C -1.968 173.476 175.328 0.194 0.000 1.113 179 H CA -2.008 54.078 56.048 0.062 0.000 1.454 179 H CB 1.329 31.144 29.762 0.089 0.000 1.525 179 H HN 0.218 nan 8.280 nan 0.000 0.505 180 P HA -0.204 nan 4.420 nan 0.000 0.216 180 P C 1.838 179.241 177.300 0.172 0.000 1.150 180 P CA 1.326 64.555 63.100 0.214 0.000 0.843 180 P CB 0.652 32.410 31.700 0.096 0.000 0.787 181 K N 0.110 120.594 120.400 0.139 0.000 2.074 181 K HA -0.137 4.186 4.320 0.005 0.000 0.209 181 K C 1.839 178.496 176.600 0.096 0.000 1.048 181 K CA 1.618 57.955 56.287 0.083 0.000 0.926 181 K CB -1.130 31.384 32.500 0.022 0.000 0.713 181 K HN 0.098 nan 8.250 nan 0.000 0.444 182 L N -0.970 120.343 121.223 0.150 0.000 2.162 182 L HA 0.136 4.479 4.340 0.005 0.000 0.205 182 L C 0.996 177.964 176.870 0.164 0.000 1.086 182 L CA 0.548 55.474 54.840 0.143 0.000 0.778 182 L CB -0.043 42.120 42.059 0.174 0.000 0.928 182 L HN 0.125 nan 8.230 nan 0.000 0.446 183 M N 0.826 120.574 119.600 0.246 0.000 2.746 183 M HA 0.210 4.693 4.480 0.005 0.000 0.209 183 M C -1.734 174.699 176.300 0.220 0.000 1.077 183 M CA -1.292 54.152 55.300 0.240 0.000 0.695 183 M CB 1.451 34.272 32.600 0.368 0.000 1.416 183 M HN -0.216 nan 8.290 nan 0.000 0.459 184 P HA -0.185 nan 4.420 nan 0.000 0.220 184 P C 0.276 177.622 177.300 0.077 0.000 1.144 184 P CA 1.551 64.711 63.100 0.100 0.000 0.800 184 P CB 0.248 31.991 31.700 0.071 0.000 0.772 185 E N -3.325 116.930 120.200 0.091 0.000 2.538 185 E HA 0.136 4.489 4.350 0.005 0.000 0.207 185 E C 0.880 177.534 176.600 0.089 0.000 1.002 185 E CA -0.281 56.160 56.400 0.067 0.000 0.952 185 E CB 0.113 29.848 29.700 0.058 0.000 1.031 185 E HN 0.212 nan 8.360 nan 0.000 0.476 186 F N -0.446 119.453 119.950 -0.086 0.000 2.444 186 F HA 0.256 4.786 4.527 0.005 0.000 0.263 186 F C -0.137 175.523 175.800 -0.235 0.000 0.912 186 F CA -0.153 57.711 58.000 -0.228 0.000 1.122 186 F CB 0.256 39.038 39.000 -0.363 0.000 1.246 186 F HN -0.140 nan 8.300 nan 0.000 0.752 187 W N 1.994 123.367 121.300 0.121 0.000 2.161 187 W HA 0.343 5.006 4.660 0.005 0.000 0.344 187 W C 1.048 177.463 176.519 -0.174 0.000 1.262 187 W CA -0.146 57.178 57.345 -0.034 0.000 1.270 187 W CB 0.700 30.217 29.460 0.095 0.000 1.126 187 W HN 0.145 nan 8.180 nan 0.000 0.598 188 Q N 0.359 120.148 119.800 -0.018 0.000 2.534 188 Q HA 0.177 4.520 4.340 0.005 0.000 0.252 188 Q C -0.633 174.896 176.000 -0.785 0.000 0.850 188 Q CA 0.270 55.729 55.803 -0.572 0.000 0.974 188 Q CB 0.691 28.794 28.738 -1.059 0.000 1.205 188 Q HN 0.304 nan 8.270 nan 0.000 0.593 189 F N 1.405 121.331 119.950 -0.040 0.000 2.507 189 F HA 0.423 4.953 4.527 0.005 0.000 0.328 189 F C -2.464 173.308 175.800 -0.047 0.000 1.136 189 F CA -3.077 54.839 58.000 -0.140 0.000 0.930 189 F CB 1.271 39.932 39.000 -0.565 0.000 1.166 189 F HN -0.213 nan 8.300 nan 0.000 0.436 190 P HA 0.197 nan 4.420 nan 0.000 0.276 190 P C 0.511 177.906 177.300 0.158 0.000 1.264 190 P CA -0.042 63.140 63.100 0.137 0.000 0.769 190 P CB 0.771 32.601 31.700 0.216 0.000 0.840 191 T N -1.643 112.958 114.554 0.077 0.000 3.058 191 T HA 0.021 4.374 4.350 0.005 0.000 0.278 191 T C 1.288 176.004 174.700 0.027 0.000 0.974 191 T CA 0.036 62.197 62.100 0.103 0.000 0.893 191 T CB -0.505 68.452 68.868 0.148 0.000 1.138 191 T HN 0.099 nan 8.240 nan 0.000 0.529 192 V N 1.980 121.859 119.914 -0.059 0.000 2.720 192 V HA 0.098 4.221 4.120 0.005 0.000 0.256 192 V C 1.227 177.269 176.094 -0.087 0.000 1.082 192 V CA 1.546 63.739 62.300 -0.178 0.000 1.101 192 V CB -0.392 31.137 31.823 -0.490 0.000 0.693 192 V HN 0.597 nan 8.190 nan 0.000 0.479 193 S N 2.719 118.427 115.700 0.013 0.000 2.494 193 S HA 0.272 4.745 4.470 0.005 0.000 0.312 193 S C 0.308 174.926 174.600 0.029 0.000 1.121 193 S CA -0.630 57.589 58.200 0.032 0.000 1.068 193 S CB -0.425 62.826 63.200 0.086 0.000 1.141 193 S HN 0.440 nan 8.310 nan 0.000 0.527 194 M N 3.827 123.430 119.600 0.006 0.000 2.226 194 M HA 0.035 4.518 4.480 0.005 0.000 0.352 194 M C 1.732 178.044 176.300 0.021 0.000 1.226 194 M CA 1.641 56.949 55.300 0.013 0.000 0.943 194 M CB -1.145 31.456 32.600 0.001 0.000 1.805 194 M HN 0.989 nan 8.290 nan 0.000 0.465 195 G N 1.842 110.654 108.800 0.019 0.000 2.420 195 G HA2 -0.272 3.691 3.960 0.005 0.000 0.221 195 G HA3 -0.272 3.691 3.960 0.005 0.000 0.221 195 G C 0.564 175.484 174.900 0.033 0.000 1.117 195 G CA 0.189 45.302 45.100 0.021 0.000 0.657 195 G HN 0.537 nan 8.290 nan 0.000 0.512 196 L N 2.215 123.469 121.223 0.052 0.000 2.046 196 L HA 0.231 4.574 4.340 0.005 0.000 0.208 196 L C 3.112 180.026 176.870 0.073 0.000 1.077 196 L CA 2.827 57.712 54.840 0.074 0.000 0.747 196 L CB -1.214 40.908 42.059 0.106 0.000 0.896 196 L HN 0.474 nan 8.230 nan 0.000 0.432 197 G N 0.544 109.387 108.800 0.072 0.000 2.491 197 G HA2 -0.235 3.728 3.960 0.005 0.000 0.218 197 G HA3 -0.235 3.728 3.960 0.005 0.000 0.218 197 G C -0.498 174.307 174.900 -0.158 0.000 1.180 197 G CA 1.080 46.211 45.100 0.052 0.000 0.774 197 G HN 0.366 nan 8.290 nan 0.000 0.562 198 P HA -0.100 nan 4.420 nan 0.000 0.215 198 P C 2.051 179.402 177.300 0.086 0.000 1.157 198 P CA 0.999 63.961 63.100 -0.230 0.000 0.868 198 P CB -0.045 31.518 31.700 -0.228 0.000 0.788 199 I N -0.425 120.208 120.570 0.105 0.000 2.439 199 I HA -0.058 4.114 4.170 0.005 0.000 0.251 199 I C 2.294 178.524 176.117 0.188 0.000 1.139 199 I CA 1.343 62.761 61.300 0.197 0.000 1.438 199 I CB -0.624 37.480 38.000 0.172 0.000 1.085 199 I HN -0.091 nan 8.210 nan 0.000 0.427 200 G N 0.226 109.058 108.800 0.054 0.000 2.408 200 G HA2 -0.241 3.722 3.960 0.005 0.000 0.217 200 G HA3 -0.241 3.722 3.960 0.005 0.000 0.217 200 G C 1.732 176.536 174.900 -0.160 0.000 1.150 200 G CA 0.677 45.799 45.100 0.037 0.000 0.776 200 G HN 0.525 nan 8.290 nan 0.000 0.542 201 A N 0.794 123.301 122.820 -0.522 0.000 1.898 201 A HA 0.072 4.395 4.320 0.005 0.000 0.216 201 A C 2.386 179.857 177.584 -0.189 0.000 1.181 201 A CA 1.180 52.790 52.037 -0.712 0.000 0.620 201 A CB -0.361 18.180 19.000 -0.765 0.000 0.819 201 A HN 0.361 nan 8.150 nan 0.000 0.442 202 I N -1.868 118.692 120.570 -0.016 0.000 2.163 202 I HA -0.316 3.857 4.170 0.005 0.000 0.243 202 I C 2.282 178.245 176.117 -0.256 0.000 1.085 202 I CA 1.673 62.909 61.300 -0.107 0.000 1.347 202 I CB -0.404 37.537 38.000 -0.097 0.000 1.044 202 I HN 0.423 nan 8.210 nan 0.000 0.408 203 Y N 0.064 120.358 120.300 -0.011 0.000 2.457 203 Y HA -0.206 4.347 4.550 0.005 0.000 0.292 203 Y C 2.596 178.521 175.900 0.041 0.000 1.125 203 Y CA 0.942 59.048 58.100 0.010 0.000 1.254 203 Y CB -0.270 38.187 38.460 -0.005 0.000 1.012 203 Y HN 0.208 nan 8.280 nan 0.000 0.555 204 Q N 0.651 120.515 119.800 0.107 0.000 2.083 204 Q HA -0.097 4.246 4.340 0.005 0.000 0.198 204 Q C 2.330 178.403 176.000 0.121 0.000 0.969 204 Q CA 1.695 57.578 55.803 0.134 0.000 0.838 204 Q CB -0.423 28.372 28.738 0.095 0.000 0.900 204 Q HN 0.345 nan 8.270 nan 0.000 0.436 205 A N 0.880 123.705 122.820 0.008 0.000 1.902 205 A HA -0.224 4.099 4.320 0.005 0.000 0.217 205 A C 2.092 179.663 177.584 -0.022 0.000 1.181 205 A CA 1.841 53.856 52.037 -0.037 0.000 0.623 205 A CB -0.690 18.239 19.000 -0.118 0.000 0.818 205 A HN 0.436 nan 8.150 nan 0.000 0.443 206 K N -1.722 118.665 120.400 -0.022 0.000 2.097 206 K HA -0.153 4.170 4.320 0.005 0.000 0.206 206 K C 1.792 178.460 176.600 0.114 0.000 1.049 206 K CA 1.555 57.858 56.287 0.027 0.000 0.933 206 K CB -0.311 32.176 32.500 -0.021 0.000 0.717 206 K HN 0.387 nan 8.250 nan 0.000 0.442 207 F N 1.776 121.731 119.950 0.008 0.000 2.134 207 F HA -0.117 4.412 4.527 0.005 0.000 0.299 207 F C 1.655 177.491 175.800 0.060 0.000 1.097 207 F CA 1.212 59.221 58.000 0.015 0.000 1.264 207 F CB -0.120 38.885 39.000 0.008 0.000 1.001 207 F HN -0.040 nan 8.300 nan 0.000 0.479 208 L N -0.011 121.223 121.223 0.020 0.000 2.083 208 L HA -0.250 4.093 4.340 0.005 0.000 0.209 208 L C 2.422 179.185 176.870 -0.178 0.000 1.083 208 L CA 1.558 56.346 54.840 -0.087 0.000 0.752 208 L CB -0.746 41.308 42.059 -0.008 0.000 0.899 208 L HN 0.095 nan 8.230 nan 0.000 0.433 209 K N -0.851 119.464 120.400 -0.142 0.000 2.097 209 K HA -0.213 4.110 4.320 0.005 0.000 0.205 209 K C 2.113 178.559 176.600 -0.257 0.000 1.050 209 K CA 1.339 57.480 56.287 -0.242 0.000 0.938 209 K CB -0.267 32.138 32.500 -0.159 0.000 0.718 209 K HN 0.176 nan 8.250 nan 0.000 0.442 210 Y N 2.012 122.114 120.300 -0.331 0.000 2.128 210 Y HA -0.233 4.320 4.550 0.005 0.000 0.284 210 Y C 1.791 177.413 175.900 -0.463 0.000 1.154 210 Y CA 1.419 59.192 58.100 -0.545 0.000 1.149 210 Y CB -0.341 37.642 38.460 -0.794 0.000 0.976 210 Y HN -0.072 nan 8.280 nan 0.000 0.505 211 L N 0.144 121.053 121.223 -0.524 0.000 2.079 211 L HA -0.230 4.113 4.340 0.005 0.000 0.210 211 L C 2.579 179.251 176.870 -0.331 0.000 1.081 211 L CA 2.041 56.587 54.840 -0.489 0.000 0.752 211 L CB -0.598 41.224 42.059 -0.395 0.000 0.896 211 L HN 0.359 nan 8.230 nan 0.000 0.433 212 E N -0.380 119.652 120.200 -0.279 0.000 2.046 212 E HA -0.216 4.137 4.350 0.005 0.000 0.190 212 E C 2.076 178.601 176.600 -0.124 0.000 0.982 212 E CA 1.088 57.367 56.400 -0.201 0.000 0.800 212 E CB -0.054 29.512 29.700 -0.224 0.000 0.756 212 E HN 0.555 nan 8.360 nan 0.000 0.449 213 H N -0.659 118.340 119.070 -0.120 0.000 2.421 213 H HA 0.018 4.577 4.556 0.005 0.000 0.298 213 H C 1.884 177.131 175.328 -0.134 0.000 1.087 213 H CA 0.723 56.734 56.048 -0.062 0.000 1.330 213 H CB 0.296 30.120 29.762 0.104 0.000 1.388 213 H HN -0.020 nan 8.280 nan 0.000 0.526 214 R N 0.003 120.398 120.500 -0.174 0.000 2.275 214 R HA 0.028 4.371 4.340 0.005 0.000 0.199 214 R C 1.107 177.302 176.300 -0.175 0.000 0.989 214 R CA 0.744 56.682 56.100 -0.270 0.000 1.016 214 R CB 0.176 30.121 30.300 -0.593 0.000 0.918 214 R HN 0.524 nan 8.270 nan 0.000 0.473 215 G N 1.183 109.901 108.800 -0.138 0.000 2.160 215 G HA2 -0.253 3.710 3.960 0.005 0.000 0.251 215 G HA3 -0.253 3.710 3.960 0.005 0.000 0.251 215 G C 0.684 175.520 174.900 -0.106 0.000 1.008 215 G CA 0.320 45.362 45.100 -0.097 0.000 0.724 215 G HN 0.320 nan 8.290 nan 0.000 0.514 216 L N -1.208 119.927 121.223 -0.148 0.000 2.249 216 L HA 0.394 4.737 4.340 0.005 0.000 0.207 216 L C 1.280 178.095 176.870 -0.091 0.000 1.090 216 L CA 1.354 56.120 54.840 -0.123 0.000 0.802 216 L CB 0.221 42.183 42.059 -0.161 0.000 0.947 216 L HN 0.293 nan 8.230 nan 0.000 0.453 217 K N -0.151 120.186 120.400 -0.105 0.000 2.583 217 K HA 0.081 4.404 4.320 0.005 0.000 0.260 217 K C -1.714 174.836 176.600 -0.082 0.000 0.931 217 K CA -0.652 55.590 56.287 -0.075 0.000 0.849 217 K CB 1.866 34.332 32.500 -0.057 0.000 1.347 217 K HN -0.272 nan 8.250 nan 0.000 0.425 218 D N 2.606 122.970 120.400 -0.059 0.000 2.344 218 D HA 0.044 4.687 4.640 0.005 0.000 0.253 218 D C 0.539 176.806 176.300 -0.055 0.000 1.255 218 D CA 0.207 54.172 54.000 -0.059 0.000 0.894 218 D CB 1.050 41.826 40.800 -0.040 0.000 1.067 218 D HN 0.558 nan 8.370 nan 0.000 0.492 219 T N -0.654 113.856 114.554 -0.073 0.000 3.092 219 T HA -0.002 4.351 4.350 0.005 0.000 0.258 219 T C 1.678 176.345 174.700 -0.054 0.000 1.031 219 T CA 0.263 62.328 62.100 -0.058 0.000 0.925 219 T CB -0.219 68.606 68.868 -0.071 0.000 1.036 219 T HN 0.215 nan 8.240 nan 0.000 0.544 220 S N 2.110 117.775 115.700 -0.058 0.000 2.440 220 S HA -0.108 4.365 4.470 0.005 0.000 0.240 220 S C 1.632 176.216 174.600 -0.025 0.000 1.014 220 S CA 0.623 58.793 58.200 -0.051 0.000 0.980 220 S CB -0.556 62.617 63.200 -0.045 0.000 0.775 220 S HN 0.619 nan 8.310 nan 0.000 0.499 221 K N 0.741 121.134 120.400 -0.011 0.000 2.404 221 K HA 0.212 4.535 4.320 0.005 0.000 0.194 221 K C 0.236 176.855 176.600 0.032 0.000 1.023 221 K CA 0.068 56.364 56.287 0.015 0.000 1.094 221 K CB 0.200 32.712 32.500 0.020 0.000 0.841 221 K HN 0.555 nan 8.250 nan 0.000 0.523 222 Q N 0.617 120.426 119.800 0.014 0.000 2.245 222 Q HA 0.247 4.590 4.340 0.005 0.000 0.256 222 Q C -0.742 175.259 176.000 0.002 0.000 0.942 222 Q CA -0.193 55.629 55.803 0.031 0.000 0.896 222 Q CB 2.078 30.833 28.738 0.029 0.000 1.272 222 Q HN -0.102 nan 8.270 nan 0.000 0.442 223 T N 1.007 115.566 114.554 0.010 0.000 2.863 223 T HA 0.432 4.785 4.350 0.005 0.000 0.285 223 T C -0.714 173.905 174.700 -0.134 0.000 1.009 223 T CA -0.578 61.448 62.100 -0.123 0.000 0.989 223 T CB 1.460 70.192 68.868 -0.227 0.000 1.004 223 T HN 0.250 nan 8.240 nan 0.000 0.455 224 V N 3.517 123.315 119.914 -0.194 0.000 2.370 224 V HA 0.407 4.530 4.120 0.005 0.000 0.279 224 V C -1.160 174.841 176.094 -0.155 0.000 1.029 224 V CA -0.747 61.507 62.300 -0.077 0.000 0.870 224 V CB 0.308 32.103 31.823 -0.046 0.000 0.984 224 V HN 0.783 nan 8.190 nan 0.000 0.451 225 Y N 2.732 123.106 120.300 0.124 0.000 2.341 225 Y HA 0.707 5.260 4.550 0.005 0.000 0.337 225 Y C 0.406 176.382 175.900 0.127 0.000 1.014 225 Y CA -0.594 57.592 58.100 0.143 0.000 1.111 225 Y CB 1.962 40.619 38.460 0.328 0.000 1.194 225 Y HN 0.668 nan 8.280 nan 0.000 0.462 226 A N 4.369 127.254 122.820 0.109 0.000 2.310 226 A HA 0.682 5.005 4.320 0.005 0.000 0.304 226 A C -1.592 175.883 177.584 -0.182 0.000 1.231 226 A CA -0.539 51.468 52.037 -0.049 0.000 0.799 226 A CB -0.043 18.713 19.000 -0.406 0.000 1.162 226 A HN 0.590 nan 8.150 nan 0.000 0.486 227 F N 2.872 122.826 119.950 0.007 0.000 2.391 227 F HA 0.559 5.089 4.527 0.005 0.000 0.359 227 F C 0.138 175.920 175.800 -0.030 0.000 1.122 227 F CA -0.123 57.885 58.000 0.014 0.000 1.120 227 F CB 1.082 40.173 39.000 0.152 0.000 1.142 227 F HN 0.382 nan 8.300 nan 0.000 0.483 228 L N 2.272 123.479 121.223 -0.025 0.000 2.323 228 L HA 0.836 5.179 4.340 0.005 0.000 0.265 228 L C 0.463 177.336 176.870 0.004 0.000 1.012 228 L CA -1.169 53.643 54.840 -0.046 0.000 0.820 228 L CB 1.831 43.771 42.059 -0.199 0.000 1.334 228 L HN 0.615 nan 8.230 nan 0.000 0.427 229 G N -0.788 108.036 108.800 0.041 0.000 2.462 229 G HA2 0.351 4.314 3.960 0.005 0.000 0.319 229 G HA3 0.351 4.314 3.960 0.005 0.000 0.319 229 G C 0.032 174.942 174.900 0.016 0.000 1.171 229 G CA -0.258 44.880 45.100 0.063 0.000 0.920 229 G HN 0.802 nan 8.290 nan 0.000 0.499 230 D N -0.346 120.063 120.400 0.014 0.000 2.234 230 D HA -0.027 4.616 4.640 0.005 0.000 0.205 230 D C 2.112 178.421 176.300 0.014 0.000 0.962 230 D CA 1.059 55.058 54.000 -0.002 0.000 0.855 230 D CB -0.536 40.259 40.800 -0.008 0.000 0.951 230 D HN 0.473 nan 8.370 nan 0.000 0.500 231 G N 0.492 109.309 108.800 0.028 0.000 2.422 231 G HA2 -0.288 3.675 3.960 0.005 0.000 0.218 231 G HA3 -0.288 3.675 3.960 0.005 0.000 0.218 231 G C 1.443 176.354 174.900 0.019 0.000 1.140 231 G CA 0.608 45.723 45.100 0.024 0.000 0.775 231 G HN 0.469 nan 8.290 nan 0.000 0.545 232 E N -0.106 120.107 120.200 0.022 0.000 2.204 232 E HA -0.112 4.241 4.350 0.005 0.000 0.195 232 E C 2.152 178.759 176.600 0.011 0.000 0.990 232 E CA 0.604 57.014 56.400 0.017 0.000 0.821 232 E CB -0.115 29.600 29.700 0.024 0.000 0.750 232 E HN 0.246 nan 8.360 nan 0.000 0.477 233 M N 0.973 120.581 119.600 0.013 0.000 2.539 233 M HA -0.081 4.402 4.480 0.005 0.000 0.261 233 M C 0.733 177.045 176.300 0.020 0.000 1.069 233 M CA 1.033 56.349 55.300 0.027 0.000 1.081 233 M CB -0.559 32.067 32.600 0.043 0.000 1.412 233 M HN 0.053 nan 8.290 nan 0.000 0.482 234 D N 0.860 121.267 120.400 0.013 0.000 2.317 234 D HA 0.116 4.759 4.640 0.005 0.000 0.211 234 D C 0.655 176.958 176.300 0.004 0.000 0.966 234 D CA 0.313 54.318 54.000 0.007 0.000 0.876 234 D CB 0.147 40.951 40.800 0.007 0.000 0.927 234 D HN 0.264 nan 8.370 nan 0.000 0.519 235 A N 1.101 123.925 122.820 0.007 0.000 2.492 235 A HA 0.218 4.541 4.320 0.005 0.000 0.254 235 A C -1.360 176.227 177.584 0.005 0.000 1.091 235 A CA -0.919 51.122 52.037 0.006 0.000 0.768 235 A CB 0.428 19.434 19.000 0.010 0.000 1.028 235 A HN -0.029 nan 8.150 nan 0.000 0.498 236 P HA -0.189 nan 4.420 nan 0.000 0.216 236 P C 0.778 178.079 177.300 0.001 0.000 1.150 236 P CA 1.559 64.657 63.100 -0.005 0.000 0.843 236 P CB 0.213 31.910 31.700 -0.006 0.000 0.787 237 E N -1.019 119.189 120.200 0.013 0.000 2.204 237 E HA -0.093 4.260 4.350 0.005 0.000 0.194 237 E C 2.026 178.653 176.600 0.045 0.000 0.989 237 E CA 1.034 57.451 56.400 0.028 0.000 0.824 237 E CB -1.016 28.703 29.700 0.031 0.000 0.756 237 E HN 0.196 nan 8.360 nan 0.000 0.477 238 S N 0.292 116.013 115.700 0.035 0.000 2.383 238 S HA -0.071 4.402 4.470 0.005 0.000 0.227 238 S C 1.456 176.102 174.600 0.077 0.000 1.026 238 S CA 1.172 59.406 58.200 0.056 0.000 0.981 238 S CB 0.023 63.244 63.200 0.035 0.000 0.818 238 S HN 0.225 nan 8.310 nan 0.000 0.472 239 K N -0.130 120.267 120.400 -0.005 0.000 2.412 239 K HA 0.202 4.525 4.320 0.005 0.000 0.202 239 K C 1.997 178.520 176.600 -0.128 0.000 1.102 239 K CA 0.412 56.622 56.287 -0.129 0.000 1.027 239 K CB 0.169 32.561 32.500 -0.181 0.000 0.931 239 K HN 0.301 nan 8.250 nan 0.000 0.557 240 G N 1.433 110.203 108.800 -0.050 0.000 2.501 240 G HA2 -0.205 3.758 3.960 0.005 0.000 0.220 240 G HA3 -0.205 3.758 3.960 0.005 0.000 0.220 240 G C 1.148 176.042 174.900 -0.010 0.000 1.114 240 G CA 1.055 46.134 45.100 -0.034 0.000 0.757 240 G HN 0.306 nan 8.290 nan 0.000 0.559 241 A N 0.195 123.026 122.820 0.019 0.000 2.571 241 A HA 0.412 4.734 4.320 0.005 0.000 0.274 241 A C 1.845 179.451 177.584 0.038 0.000 1.196 241 A CA 0.166 52.242 52.037 0.065 0.000 0.957 241 A CB -0.076 19.034 19.000 0.183 0.000 1.150 241 A HN 0.493 nan 8.150 nan 0.000 0.539 242 I N -1.778 118.764 120.570 -0.046 0.000 2.567 242 I HA -0.139 4.034 4.170 0.005 0.000 0.257 242 I C 2.021 178.251 176.117 0.189 0.000 1.184 242 I CA 1.907 63.201 61.300 -0.010 0.000 1.451 242 I CB -0.878 36.736 38.000 -0.643 0.000 1.089 242 I HN 0.244 nan 8.210 nan 0.000 0.441 243 T N -0.409 114.166 114.554 0.035 0.000 2.995 243 T HA -0.008 4.345 4.350 0.005 0.000 0.269 243 T C 1.661 176.367 174.700 0.011 0.000 1.091 243 T CA 0.862 62.987 62.100 0.041 0.000 1.128 243 T CB -0.521 68.342 68.868 -0.009 0.000 0.891 243 T HN 0.310 nan 8.240 nan 0.000 0.492 244 I N 2.641 123.205 120.570 -0.010 0.000 2.286 244 I HA 0.022 4.195 4.170 0.005 0.000 0.248 244 I C 3.013 179.039 176.117 -0.151 0.000 1.115 244 I CA 0.970 62.223 61.300 -0.077 0.000 1.392 244 I CB -0.989 36.933 38.000 -0.131 0.000 1.065 244 I HN 0.368 nan 8.210 nan 0.000 0.418 245 A N -0.598 122.121 122.820 -0.169 0.000 1.978 245 A HA -0.212 4.111 4.320 0.005 0.000 0.220 245 A C 2.419 179.760 177.584 -0.405 0.000 1.170 245 A CA 2.446 54.259 52.037 -0.373 0.000 0.636 245 A CB -1.092 17.528 19.000 -0.634 0.000 0.810 245 A HN 0.434 nan 8.150 nan 0.000 0.448 246 T N -0.969 113.424 114.554 -0.268 0.000 2.937 246 T HA -0.020 4.333 4.350 0.005 0.000 0.260 246 T C 2.054 176.666 174.700 -0.146 0.000 1.051 246 T CA 1.034 63.004 62.100 -0.216 0.000 1.141 246 T CB -0.130 68.684 68.868 -0.090 0.000 0.879 246 T HN 0.500 nan 8.240 nan 0.000 0.459 247 R N 1.061 121.495 120.500 -0.110 0.000 2.096 247 R HA -0.006 4.337 4.340 0.005 0.000 0.235 247 R C 1.905 178.146 176.300 -0.100 0.000 1.127 247 R CA 0.961 57.009 56.100 -0.086 0.000 0.968 247 R CB -0.014 30.250 30.300 -0.061 0.000 0.861 247 R HN 0.304 nan 8.270 nan 0.000 0.440 248 E N 0.614 120.741 120.200 -0.121 0.000 2.479 248 E HA 0.015 4.368 4.350 0.005 0.000 0.193 248 E C -0.268 176.261 176.600 -0.119 0.000 1.049 248 E CA 0.058 56.396 56.400 -0.103 0.000 0.870 248 E CB 0.300 29.944 29.700 -0.092 0.000 0.944 248 E HN 0.184 nan 8.360 nan 0.000 0.492 249 K N 0.915 121.217 120.400 -0.164 0.000 3.419 249 K HA -0.170 4.153 4.320 0.005 0.000 0.272 249 K C -0.363 176.115 176.600 -0.203 0.000 0.973 249 K CA 0.172 56.352 56.287 -0.178 0.000 0.749 249 K CB -1.795 30.636 32.500 -0.115 0.000 1.403 249 K HN 0.179 nan 8.250 nan 0.000 0.456 250 L N 2.096 123.145 121.223 -0.289 0.000 2.384 250 L HA 0.046 4.389 4.340 0.005 0.000 0.258 250 L C 0.970 177.643 176.870 -0.329 0.000 1.266 250 L CA -0.272 54.392 54.840 -0.294 0.000 1.162 250 L CB -0.249 41.605 42.059 -0.342 0.000 1.375 250 L HN 0.272 nan 8.230 nan 0.000 0.420 251 D N -0.765 119.488 120.400 -0.245 0.000 2.324 251 D HA -0.104 4.539 4.640 0.005 0.000 0.235 251 D C 0.959 177.141 176.300 -0.197 0.000 1.095 251 D CA 0.028 53.893 54.000 -0.225 0.000 0.871 251 D CB -0.107 40.593 40.800 -0.166 0.000 0.906 251 D HN 0.417 nan 8.370 nan 0.000 0.522 252 N N 0.246 118.825 118.700 -0.201 0.000 2.234 252 N HA 0.106 4.849 4.740 0.005 0.000 0.227 252 N C -0.447 174.934 175.510 -0.215 0.000 1.151 252 N CA -0.484 52.460 53.050 -0.176 0.000 0.865 252 N CB 0.311 38.718 38.487 -0.135 0.000 1.066 252 N HN 0.206 nan 8.380 nan 0.000 0.515 253 L N 0.215 121.281 121.223 -0.261 0.000 2.385 253 L HA 0.649 4.992 4.340 0.005 0.000 0.273 253 L C -1.485 175.240 176.870 -0.241 0.000 0.990 253 L CA -0.822 53.866 54.840 -0.253 0.000 0.821 253 L CB 2.256 44.140 42.059 -0.291 0.000 1.279 253 L HN -0.127 nan 8.230 nan 0.000 0.412 254 V N 5.394 125.217 119.914 -0.152 0.000 2.482 254 V HA 0.446 4.569 4.120 0.005 0.000 0.295 254 V C -0.866 175.343 176.094 0.191 0.000 1.026 254 V CA -0.426 61.842 62.300 -0.054 0.000 0.856 254 V CB 1.448 33.180 31.823 -0.152 0.000 1.001 254 V HN 0.500 nan 8.190 nan 0.000 0.424 255 F N 4.026 123.953 119.950 -0.037 0.000 2.410 255 F HA 0.568 5.098 4.527 0.005 0.000 0.349 255 F C 0.234 175.858 175.800 -0.294 0.000 1.117 255 F CA -0.998 56.935 58.000 -0.112 0.000 1.104 255 F CB 1.864 40.829 39.000 -0.060 0.000 1.122 255 F HN 0.186 nan 8.300 nan 0.000 0.483 256 V N 6.541 126.263 119.914 -0.321 0.000 2.313 256 V HA 0.344 4.467 4.120 0.005 0.000 0.278 256 V C 0.106 175.986 176.094 -0.357 0.000 1.017 256 V CA -0.612 61.410 62.300 -0.464 0.000 0.823 256 V CB 1.079 32.388 31.823 -0.858 0.000 1.010 256 V HN 0.450 nan 8.190 nan 0.000 0.443 257 I N 4.158 124.556 120.570 -0.287 0.000 2.297 257 I HA 0.293 4.466 4.170 0.005 0.000 0.291 257 I C 0.362 176.381 176.117 -0.163 0.000 1.033 257 I CA -0.363 60.808 61.300 -0.215 0.000 1.253 257 I CB 1.085 38.941 38.000 -0.240 0.000 1.396 257 I HN 0.500 nan 8.210 nan 0.000 0.476 258 N N 6.491 125.139 118.700 -0.087 0.000 2.402 258 N HA 0.087 4.830 4.740 0.005 0.000 0.259 258 N C -0.816 174.666 175.510 -0.046 0.000 1.167 258 N CA -0.207 52.809 53.050 -0.056 0.000 0.949 258 N CB 0.300 38.797 38.487 0.017 0.000 1.212 258 N HN 0.519 nan 8.380 nan 0.000 0.493 259 C N 4.191 123.446 119.300 -0.076 0.000 2.116 259 C HA 0.227 4.690 4.460 0.005 0.000 0.367 259 C C 1.190 176.191 174.990 0.019 0.000 1.039 259 C CA -0.923 58.067 59.018 -0.045 0.000 1.465 259 C CB -1.718 25.958 27.740 -0.106 0.000 1.783 259 C HN 0.740 nan 8.230 nan 0.000 0.470 260 N N 1.498 120.220 118.700 0.037 0.000 2.270 260 N HA 0.102 4.845 4.740 0.005 0.000 0.198 260 N C 0.754 176.315 175.510 0.085 0.000 1.117 260 N CA -0.239 52.848 53.050 0.062 0.000 0.845 260 N CB -0.386 38.147 38.487 0.076 0.000 0.980 260 N HN 0.673 nan 8.380 nan 0.000 0.486 261 L N -2.419 118.849 121.223 0.074 0.000 4.884 261 L HA -0.296 4.047 4.340 0.005 0.000 0.430 261 L C -0.102 176.811 176.870 0.071 0.000 1.087 261 L CA 0.899 55.785 54.840 0.076 0.000 1.033 261 L CB -1.837 40.289 42.059 0.112 0.000 2.030 261 L HN 0.524 nan 8.230 nan 0.000 0.762 262 Q N 0.043 119.885 119.800 0.071 0.000 2.359 262 Q HA 0.528 4.871 4.340 0.005 0.000 0.274 262 Q C 0.251 176.289 176.000 0.063 0.000 1.074 262 Q CA -0.837 55.007 55.803 0.068 0.000 0.810 262 Q CB 2.177 30.963 28.738 0.080 0.000 1.342 262 Q HN 0.168 nan 8.270 nan 0.000 0.427 263 R N 1.534 122.065 120.500 0.051 0.000 1.575 263 R HA 0.251 4.594 4.340 0.005 0.000 0.094 263 R C 1.284 177.611 176.300 0.045 0.000 0.590 263 R CA -0.127 55.997 56.100 0.041 0.000 1.957 263 R CB -0.185 30.132 30.300 0.029 0.000 0.778 263 R HN 0.647 nan 8.270 nan 0.000 0.730 264 L N -0.228 121.014 121.223 0.033 0.000 2.388 264 L HA 0.060 4.403 4.340 0.005 0.000 0.209 264 L C 1.310 178.210 176.870 0.050 0.000 1.061 264 L CA 1.009 55.875 54.840 0.043 0.000 0.834 264 L CB 0.154 42.228 42.059 0.026 0.000 1.029 264 L HN 0.461 nan 8.230 nan 0.000 0.473 265 D N -0.639 119.784 120.400 0.039 0.000 2.346 265 D HA 0.214 4.857 4.640 0.005 0.000 0.206 265 D C 0.600 176.922 176.300 0.037 0.000 1.001 265 D CA 0.855 54.877 54.000 0.037 0.000 0.871 265 D CB 0.675 41.492 40.800 0.029 0.000 0.943 265 D HN 0.397 nan 8.370 nan 0.000 0.518 266 G N -1.047 107.776 108.800 0.039 0.000 2.341 266 G HA2 0.319 4.282 3.960 0.005 0.000 0.299 266 G HA3 0.319 4.282 3.960 0.005 0.000 0.299 266 G C -2.922 172.002 174.900 0.041 0.000 1.274 266 G CA -0.983 44.140 45.100 0.039 0.000 0.853 266 G HN -0.191 nan 8.290 nan 0.000 0.493 267 P HA 0.288 nan 4.420 nan 0.000 0.269 267 P C 1.109 178.431 177.300 0.036 0.000 1.215 267 P CA -0.367 62.760 63.100 0.044 0.000 0.780 267 P CB 1.296 33.022 31.700 0.042 0.000 0.898 268 V N 0.720 120.657 119.914 0.038 0.000 2.358 268 V HA -0.096 4.027 4.120 0.005 0.000 0.246 268 V C 1.096 177.205 176.094 0.025 0.000 1.047 268 V CA 2.406 64.723 62.300 0.029 0.000 1.035 268 V CB -1.103 30.736 31.823 0.027 0.000 0.658 268 V HN 0.797 nan 8.190 nan 0.000 0.452 269 T N -3.186 111.385 114.554 0.028 0.000 3.233 269 T HA 0.429 4.782 4.350 0.005 0.000 0.324 269 T C 0.878 175.595 174.700 0.028 0.000 0.992 269 T CA 0.104 62.218 62.100 0.023 0.000 1.414 269 T CB 0.661 69.541 68.868 0.020 0.000 0.935 269 T HN 0.243 nan 8.240 nan 0.000 0.544 270 G N 2.433 111.248 108.800 0.024 0.000 2.476 270 G HA2 -0.223 3.740 3.960 0.005 0.000 0.218 270 G HA3 -0.223 3.740 3.960 0.005 0.000 0.218 270 G C 1.256 176.166 174.900 0.017 0.000 1.164 270 G CA 0.478 45.592 45.100 0.023 0.000 0.768 270 G HN 0.630 nan 8.290 nan 0.000 0.560 271 N N 1.209 119.916 118.700 0.012 0.000 2.313 271 N HA 0.179 4.922 4.740 0.005 0.000 0.207 271 N C 0.746 176.260 175.510 0.008 0.000 1.141 271 N CA 0.567 53.621 53.050 0.006 0.000 0.830 271 N CB 0.833 39.322 38.487 0.003 0.000 1.008 271 N HN 0.370 nan 8.380 nan 0.000 0.481 272 G N -0.291 108.517 108.800 0.014 0.000 3.222 272 G HA2 0.538 4.501 3.960 0.005 0.000 0.263 272 G HA3 0.538 4.501 3.960 0.005 0.000 0.263 272 G C -1.081 173.829 174.900 0.017 0.000 1.312 272 G CA -0.464 44.642 45.100 0.011 0.000 0.934 272 G HN -0.033 nan 8.290 nan 0.000 0.577 273 K N 0.475 120.882 120.400 0.011 0.000 2.621 273 K HA 0.252 4.575 4.320 0.005 0.000 0.233 273 K C 0.387 177.005 176.600 0.029 0.000 0.972 273 K CA -0.638 55.658 56.287 0.016 0.000 0.988 273 K CB 2.155 34.634 32.500 -0.036 0.000 1.187 273 K HN 0.275 nan 8.250 nan 0.000 0.471 274 I N 2.863 123.451 120.570 0.030 0.000 2.335 274 I HA -0.244 3.929 4.170 0.005 0.000 0.251 274 I C 1.436 177.554 176.117 0.001 0.000 1.129 274 I CA 1.583 62.892 61.300 0.015 0.000 1.402 274 I CB -0.006 38.001 38.000 0.012 0.000 1.069 274 I HN 0.655 nan 8.210 nan 0.000 0.424 275 I N 0.335 120.907 120.570 0.003 0.000 2.315 275 I HA -0.273 3.900 4.170 0.005 0.000 0.248 275 I C 1.937 178.051 176.117 -0.006 0.000 1.117 275 I CA 1.024 62.297 61.300 -0.044 0.000 1.404 275 I CB -0.591 37.338 38.000 -0.118 0.000 1.071 275 I HN 0.284 nan 8.210 nan 0.000 0.419 276 N N 0.539 119.273 118.700 0.056 0.000 2.216 276 N HA -0.179 4.564 4.740 0.005 0.000 0.183 276 N C 1.721 177.245 175.510 0.022 0.000 1.017 276 N CA 0.936 54.015 53.050 0.047 0.000 0.861 276 N CB -0.205 38.317 38.487 0.058 0.000 0.986 276 N HN 0.423 nan 8.380 nan 0.000 0.428 277 E N 0.972 121.183 120.200 0.019 0.000 2.051 277 E HA -0.119 4.234 4.350 0.005 0.000 0.192 277 E C 1.885 178.501 176.600 0.027 0.000 0.991 277 E CA 0.789 57.198 56.400 0.015 0.000 0.799 277 E CB -0.066 29.642 29.700 0.012 0.000 0.748 277 E HN 0.239 nan 8.360 nan 0.000 0.449 278 L N 0.709 121.950 121.223 0.030 0.000 2.046 278 L HA -0.188 4.155 4.340 0.005 0.000 0.208 278 L C 2.804 179.732 176.870 0.096 0.000 1.077 278 L CA 1.700 56.587 54.840 0.079 0.000 0.747 278 L CB -0.526 41.524 42.059 -0.014 0.000 0.896 278 L HN 0.325 nan 8.230 nan 0.000 0.432 279 E N 0.274 120.478 120.200 0.008 0.000 2.077 279 E HA -0.196 4.157 4.350 0.005 0.000 0.193 279 E C 2.154 178.776 176.600 0.037 0.000 0.989 279 E CA 1.297 57.697 56.400 -0.000 0.000 0.800 279 E CB -0.190 29.493 29.700 -0.029 0.000 0.746 279 E HN 0.431 nan 8.360 nan 0.000 0.452 280 G N 1.623 110.439 108.800 0.026 0.000 2.459 280 G HA2 -0.286 3.677 3.960 0.005 0.000 0.217 280 G HA3 -0.286 3.677 3.960 0.005 0.000 0.217 280 G C 1.632 176.533 174.900 0.002 0.000 1.183 280 G CA 0.865 45.974 45.100 0.014 0.000 0.776 280 G HN 0.398 nan 8.290 nan 0.000 0.552 281 I N -1.030 119.535 120.570 -0.009 0.000 2.315 281 I HA -0.011 4.162 4.170 0.005 0.000 0.248 281 I C 2.378 178.388 176.117 -0.178 0.000 1.117 281 I CA 0.909 62.151 61.300 -0.097 0.000 1.404 281 I CB 0.006 37.918 38.000 -0.146 0.000 1.071 281 I HN 0.153 nan 8.210 nan 0.000 0.419 282 F N 1.204 121.026 119.950 -0.213 0.000 2.186 282 F HA -0.198 4.332 4.527 0.005 0.000 0.299 282 F C 2.469 178.192 175.800 -0.129 0.000 1.090 282 F CA 1.594 59.401 58.000 -0.323 0.000 1.307 282 F CB -0.367 38.383 39.000 -0.417 0.000 1.019 282 F HN 0.119 nan 8.300 nan 0.000 0.489 283 E N 0.303 120.564 120.200 0.101 0.000 2.051 283 E HA -0.114 4.239 4.350 0.005 0.000 0.192 283 E C 2.457 179.084 176.600 0.045 0.000 0.991 283 E CA 1.533 57.979 56.400 0.076 0.000 0.799 283 E CB -0.911 28.814 29.700 0.042 0.000 0.748 283 E HN 0.237 nan 8.360 nan 0.000 0.449 284 G N -0.323 108.480 108.800 0.005 0.000 2.509 284 G HA2 -0.137 3.826 3.960 0.005 0.000 0.218 284 G HA3 -0.137 3.826 3.960 0.005 0.000 0.218 284 G C 1.406 176.298 174.900 -0.014 0.000 1.124 284 G CA 0.687 45.780 45.100 -0.012 0.000 0.776 284 G HN 0.406 nan 8.290 nan 0.000 0.547 285 A N -0.546 122.263 122.820 -0.019 0.000 2.275 285 A HA 0.498 4.821 4.320 0.005 0.000 0.212 285 A C 1.930 179.606 177.584 0.153 0.000 1.201 285 A CA 1.171 53.217 52.037 0.015 0.000 0.843 285 A CB -0.277 18.654 19.000 -0.115 0.000 0.873 285 A HN 1.474 nan 8.150 nan 0.000 0.492 286 G N -2.600 106.285 108.800 0.142 0.000 2.157 286 G HA2 -0.250 3.712 3.960 0.005 0.000 0.239 286 G HA3 -0.250 3.712 3.960 0.005 0.000 0.239 286 G C -0.125 174.877 174.900 0.171 0.000 0.982 286 G CA 0.080 45.249 45.100 0.116 0.000 0.650 286 G HN 0.358 nan 8.290 nan 0.000 0.527 287 W N 0.431 121.709 121.300 -0.037 0.000 2.183 287 W HA 0.628 5.291 4.660 0.006 0.000 0.348 287 W C 0.551 177.045 176.519 -0.041 0.000 1.257 287 W CA -0.705 56.623 57.345 -0.030 0.000 1.324 287 W CB 0.425 29.928 29.460 0.072 0.000 1.144 287 W HN 0.168 nan 8.180 nan 0.000 0.622 288 N N 0.804 119.604 118.700 0.168 0.000 2.420 288 N HA 0.328 5.071 4.740 0.005 0.000 0.249 288 N C -1.638 173.901 175.510 0.048 0.000 1.033 288 N CA -0.157 52.924 53.050 0.051 0.000 0.944 288 N CB 0.633 39.100 38.487 -0.033 0.000 1.113 288 N HN 0.115 nan 8.380 nan 0.000 0.502 289 V N 5.308 125.229 119.914 0.011 0.000 2.370 289 V HA 0.413 4.536 4.120 0.005 0.000 0.279 289 V C 0.314 176.344 176.094 -0.107 0.000 1.029 289 V CA -0.605 61.658 62.300 -0.061 0.000 0.870 289 V CB 0.787 32.577 31.823 -0.056 0.000 0.984 289 V HN 0.570 nan 8.190 nan 0.000 0.451 290 I N 5.491 125.963 120.570 -0.163 0.000 2.390 290 I HA 0.397 4.570 4.170 0.005 0.000 0.283 290 I C 0.084 176.066 176.117 -0.224 0.000 1.016 290 I CA -0.513 60.678 61.300 -0.181 0.000 1.151 290 I CB 1.203 39.077 38.000 -0.211 0.000 1.293 290 I HN 0.491 nan 8.210 nan 0.000 0.458 291 K N 5.555 125.828 120.400 -0.211 0.000 2.201 291 K HA 0.498 4.821 4.320 0.005 0.000 0.278 291 K C -0.696 175.743 176.600 -0.268 0.000 1.027 291 K CA -0.600 55.525 56.287 -0.270 0.000 0.909 291 K CB 2.421 34.746 32.500 -0.291 0.000 1.062 291 K HN 0.293 nan 8.250 nan 0.000 0.465 292 V N 5.613 125.347 119.914 -0.301 0.000 2.250 292 V HA 0.066 4.189 4.120 0.005 0.000 0.268 292 V C 0.712 176.590 176.094 -0.359 0.000 1.043 292 V CA -0.334 61.811 62.300 -0.259 0.000 0.814 292 V CB 0.737 32.433 31.823 -0.211 0.000 1.072 292 V HN 0.799 nan 8.190 nan 0.000 0.451 293 M N 1.456 120.757 119.600 -0.499 0.000 2.276 293 M HA 0.216 4.699 4.480 0.005 0.000 0.262 293 M C 0.274 175.970 176.300 -1.007 0.000 1.098 293 M CA 1.209 55.935 55.300 -0.956 0.000 1.167 293 M CB -0.120 31.663 32.600 -1.362 0.000 1.337 293 M HN 0.514 nan 8.290 nan 0.000 0.446 294 W N -0.113 121.073 121.300 -0.189 0.000 2.819 294 W HA 0.636 5.299 4.660 0.004 0.000 0.337 294 W C 0.625 177.170 176.519 0.044 0.000 1.077 294 W CA -1.225 55.996 57.345 -0.207 0.000 1.226 294 W CB 0.592 29.710 29.460 -0.570 0.000 1.419 294 W HN 0.130 nan 8.180 nan 0.000 0.502 295 G N 0.304 109.393 108.800 0.482 0.000 2.683 295 G HA2 0.144 4.107 3.960 0.005 0.000 0.260 295 G HA3 0.144 4.107 3.960 0.005 0.000 0.260 295 G C 0.683 175.835 174.900 0.419 0.000 1.238 295 G CA -0.393 44.941 45.100 0.390 0.000 0.934 295 G HN 0.530 nan 8.290 nan 0.000 0.534 296 S N -0.631 115.236 115.700 0.278 0.000 2.442 296 S HA -0.091 4.382 4.470 0.005 0.000 0.236 296 S C 2.332 177.079 174.600 0.244 0.000 1.007 296 S CA 0.775 59.114 58.200 0.230 0.000 0.965 296 S CB -0.140 63.148 63.200 0.145 0.000 0.773 296 S HN 0.541 nan 8.310 nan 0.000 0.504 297 R N -0.367 120.282 120.500 0.249 0.000 2.189 297 R HA -0.058 4.285 4.340 0.005 0.000 0.223 297 R C 1.489 177.907 176.300 0.196 0.000 1.092 297 R CA 1.072 57.278 56.100 0.176 0.000 0.989 297 R CB -0.208 30.151 30.300 0.098 0.000 0.876 297 R HN 0.490 nan 8.270 nan 0.000 0.457 298 W N 1.150 122.569 121.300 0.199 0.000 2.584 298 W HA -0.017 4.645 4.660 0.004 0.000 0.264 298 W C 1.523 178.116 176.519 0.124 0.000 1.264 298 W CA 0.207 57.634 57.345 0.137 0.000 1.306 298 W CB -0.011 29.498 29.460 0.081 0.000 1.110 298 W HN 0.017 nan 8.180 nan 0.000 0.606 299 D N 0.751 121.360 120.400 0.349 0.000 2.133 299 D HA -0.227 4.416 4.640 0.005 0.000 0.192 299 D C 1.649 178.067 176.300 0.196 0.000 1.001 299 D CA 1.816 55.961 54.000 0.242 0.000 0.844 299 D CB -0.529 40.386 40.800 0.192 0.000 0.944 299 D HN 0.346 nan 8.370 nan 0.000 0.447 300 E N -0.128 120.188 120.200 0.193 0.000 2.085 300 E HA -0.174 4.179 4.350 0.005 0.000 0.194 300 E C 2.162 178.856 176.600 0.157 0.000 0.994 300 E CA 0.495 56.998 56.400 0.171 0.000 0.801 300 E CB -0.033 29.790 29.700 0.204 0.000 0.743 300 E HN 0.115 nan 8.360 nan 0.000 0.453 301 L N 0.457 121.776 121.223 0.159 0.000 2.017 301 L HA -0.176 4.167 4.340 0.005 0.000 0.208 301 L C 2.286 179.228 176.870 0.121 0.000 1.073 301 L CA 1.526 56.419 54.840 0.088 0.000 0.745 301 L CB -0.676 41.397 42.059 0.023 0.000 0.894 301 L HN 0.159 nan 8.230 nan 0.000 0.432 302 L N -1.092 120.233 121.223 0.172 0.000 2.141 302 L HA -0.185 4.158 4.340 0.005 0.000 0.209 302 L C 2.713 179.647 176.870 0.106 0.000 1.094 302 L CA 0.960 55.885 54.840 0.142 0.000 0.763 302 L CB -0.417 41.737 42.059 0.159 0.000 0.908 302 L HN 0.296 nan 8.230 nan 0.000 0.437 303 R N 1.502 122.066 120.500 0.108 0.000 2.073 303 R HA -0.170 4.173 4.340 0.005 0.000 0.229 303 R C 2.259 178.599 176.300 0.067 0.000 1.120 303 R CA 1.618 57.770 56.100 0.085 0.000 0.967 303 R CB -0.026 30.328 30.300 0.089 0.000 0.862 303 R HN 0.400 nan 8.270 nan 0.000 0.436 304 K N -0.375 120.065 120.400 0.067 0.000 2.365 304 K HA -0.037 4.286 4.320 0.005 0.000 0.197 304 K C 0.048 176.670 176.600 0.037 0.000 1.042 304 K CA 0.803 57.120 56.287 0.050 0.000 0.987 304 K CB 0.040 32.572 32.500 0.052 0.000 0.779 304 K HN -0.038 nan 8.250 nan 0.000 0.484 305 D N 2.824 123.249 120.400 0.041 0.000 2.455 305 D HA -0.020 4.622 4.640 0.005 0.000 0.234 305 D C 0.541 176.855 176.300 0.024 0.000 1.224 305 D CA 0.058 54.075 54.000 0.029 0.000 0.999 305 D CB 0.861 41.683 40.800 0.037 0.000 1.072 305 D HN 0.324 nan 8.370 nan 0.000 0.514 306 T N -0.931 113.633 114.554 0.017 0.000 3.160 306 T HA -0.056 4.296 4.350 0.005 0.000 0.257 306 T C 1.639 176.340 174.700 0.002 0.000 1.147 306 T CA 0.329 62.437 62.100 0.013 0.000 1.064 306 T CB 0.111 68.987 68.868 0.013 0.000 0.949 306 T HN 0.148 nan 8.240 nan 0.000 0.526 307 S N 0.213 115.909 115.700 -0.006 0.000 2.486 307 S HA 0.371 4.844 4.470 0.005 0.000 0.220 307 S C 1.970 176.549 174.600 -0.035 0.000 1.011 307 S CA 0.845 59.031 58.200 -0.023 0.000 0.921 307 S CB -0.793 62.388 63.200 -0.033 0.000 0.785 307 S HN 1.027 nan 8.310 nan 0.000 0.517 308 G N 1.403 110.190 108.800 -0.022 0.000 2.179 308 G HA2 -0.246 3.717 3.960 0.005 0.000 0.260 308 G HA3 -0.246 3.717 3.960 0.005 0.000 0.260 308 G C 1.021 175.887 174.900 -0.058 0.000 0.977 308 G CA 0.703 45.789 45.100 -0.024 0.000 0.641 308 G HN 0.399 nan 8.290 nan 0.000 0.533 309 K N -0.349 119.996 120.400 -0.092 0.000 2.097 309 K HA 0.120 4.443 4.320 0.005 0.000 0.205 309 K C 2.491 179.026 176.600 -0.107 0.000 1.050 309 K CA 1.456 57.635 56.287 -0.181 0.000 0.938 309 K CB -0.432 31.939 32.500 -0.215 0.000 0.718 309 K HN 0.521 nan 8.250 nan 0.000 0.442 310 L N 1.526 122.738 121.223 -0.019 0.000 2.012 310 L HA -0.118 4.225 4.340 0.005 0.000 0.210 310 L C 2.051 178.944 176.870 0.039 0.000 1.073 310 L CA 1.473 56.330 54.840 0.029 0.000 0.748 310 L CB -0.472 41.651 42.059 0.106 0.000 0.891 310 L HN 0.082 nan 8.230 nan 0.000 0.431 311 I N -0.819 119.779 120.570 0.046 0.000 2.179 311 I HA -0.347 3.826 4.170 0.005 0.000 0.242 311 I C 2.607 178.768 176.117 0.073 0.000 1.088 311 I CA 1.718 63.068 61.300 0.083 0.000 1.357 311 I CB -0.399 37.644 38.000 0.071 0.000 1.051 311 I HN 0.489 nan 8.210 nan 0.000 0.409 312 Q N 0.841 120.643 119.800 0.003 0.000 2.112 312 Q HA -0.279 4.064 4.340 0.005 0.000 0.206 312 Q C 2.316 178.332 176.000 0.027 0.000 0.987 312 Q CA 1.935 57.725 55.803 -0.020 0.000 0.858 312 Q CB -0.133 28.525 28.738 -0.134 0.000 0.905 312 Q HN 0.431 nan 8.270 nan 0.000 0.420 313 L N 0.229 121.466 121.223 0.024 0.000 2.017 313 L HA -0.153 4.189 4.340 0.005 0.000 0.208 313 L C 2.186 179.126 176.870 0.117 0.000 1.073 313 L CA 1.811 56.682 54.840 0.052 0.000 0.745 313 L CB -0.351 41.634 42.059 -0.122 0.000 0.894 313 L HN 0.307 nan 8.230 nan 0.000 0.432 314 M N -0.581 119.150 119.600 0.219 0.000 2.159 314 M HA -0.176 4.307 4.480 0.005 0.000 0.263 314 M C 1.848 178.324 176.300 0.294 0.000 1.063 314 M CA 1.415 57.004 55.300 0.481 0.000 1.110 314 M CB -0.591 32.334 32.600 0.542 0.000 1.374 314 M HN 0.325 nan 8.290 nan 0.000 0.411 315 N N 0.773 119.577 118.700 0.172 0.000 2.142 315 N HA -0.159 4.584 4.740 0.005 0.000 0.186 315 N C 1.583 177.088 175.510 -0.008 0.000 1.023 315 N CA 1.597 54.682 53.050 0.058 0.000 0.852 315 N CB -0.375 38.158 38.487 0.078 0.000 0.998 315 N HN 0.592 nan 8.380 nan 0.000 0.424 316 E N -0.135 120.088 120.200 0.037 0.000 2.299 316 E HA -0.013 4.340 4.350 0.005 0.000 0.193 316 E C -0.184 176.422 176.600 0.010 0.000 0.998 316 E CA 0.459 56.874 56.400 0.026 0.000 0.851 316 E CB -0.268 29.467 29.700 0.058 0.000 0.795 316 E HN -0.049 nan 8.360 nan 0.000 0.492 317 T N 2.941 117.506 114.554 0.019 0.000 2.870 317 T HA 0.237 4.590 4.350 0.005 0.000 0.300 317 T C 0.262 174.934 174.700 -0.047 0.000 0.989 317 T CA -0.188 61.877 62.100 -0.058 0.000 1.139 317 T CB 1.347 70.101 68.868 -0.190 0.000 0.920 317 T HN 0.209 nan 8.240 nan 0.000 0.537 318 V N 1.010 120.896 119.914 -0.047 0.000 2.997 318 V HA 0.368 4.491 4.120 0.005 0.000 0.311 318 V C 1.048 177.217 176.094 0.125 0.000 1.066 318 V CA -0.784 61.532 62.300 0.026 0.000 1.039 318 V CB 0.904 32.728 31.823 0.002 0.000 1.081 318 V HN 0.628 nan 8.190 nan 0.000 0.467 319 D N 2.699 123.194 120.400 0.158 0.000 2.172 319 D HA -0.138 4.505 4.640 0.005 0.000 0.196 319 D C 2.052 178.433 176.300 0.134 0.000 0.999 319 D CA 2.166 56.287 54.000 0.202 0.000 0.856 319 D CB -0.551 40.319 40.800 0.117 0.000 0.934 319 D HN 0.883 nan 8.370 nan 0.000 0.453 320 G N 0.724 109.551 108.800 0.045 0.000 2.418 320 G HA2 -0.239 3.724 3.960 0.005 0.000 0.217 320 G HA3 -0.239 3.724 3.960 0.005 0.000 0.217 320 G C 1.352 176.194 174.900 -0.097 0.000 1.158 320 G CA 0.774 45.867 45.100 -0.011 0.000 0.771 320 G HN 0.168 nan 8.290 nan 0.000 0.545 321 D N -0.424 119.872 120.400 -0.172 0.000 2.183 321 D HA -0.043 4.599 4.640 0.005 0.000 0.203 321 D C 2.051 177.895 176.300 -0.760 0.000 0.969 321 D CA 0.553 54.284 54.000 -0.447 0.000 0.842 321 D CB -0.163 40.408 40.800 -0.382 0.000 0.957 321 D HN 0.352 nan 8.370 nan 0.000 0.484 322 Y N 1.524 121.680 120.300 -0.239 0.000 2.242 322 Y HA -0.131 4.423 4.550 0.006 0.000 0.291 322 Y C 2.560 178.448 175.900 -0.020 0.000 1.137 322 Y CA 0.883 58.985 58.100 0.004 0.000 1.181 322 Y CB -0.179 38.418 38.460 0.229 0.000 0.989 322 Y HN -0.074 nan 8.280 nan 0.000 0.527 323 Q N -0.694 119.169 119.800 0.106 0.000 2.119 323 Q HA -0.137 4.206 4.340 0.005 0.000 0.201 323 Q C 2.252 178.250 176.000 -0.004 0.000 0.972 323 Q CA 1.793 57.641 55.803 0.075 0.000 0.847 323 Q CB -0.957 27.815 28.738 0.057 0.000 0.903 323 Q HN 0.410 nan 8.270 nan 0.000 0.433 324 T N 1.250 115.709 114.554 -0.159 0.000 2.759 324 T HA -0.118 4.235 4.350 0.005 0.000 0.269 324 T C 1.476 176.089 174.700 -0.144 0.000 1.042 324 T CA 1.052 63.028 62.100 -0.207 0.000 1.140 324 T CB -0.257 68.424 68.868 -0.313 0.000 0.864 324 T HN 0.130 nan 8.240 nan 0.000 0.455 325 F N 1.582 121.561 119.950 0.049 0.000 2.134 325 F HA 0.035 4.564 4.527 0.004 0.000 0.299 325 F C 1.964 177.880 175.800 0.193 0.000 1.097 325 F CA 0.606 58.669 58.000 0.105 0.000 1.264 325 F CB -0.542 38.568 39.000 0.183 0.000 1.001 325 F HN -0.065 nan 8.300 nan 0.000 0.479 326 K N 0.896 121.495 120.400 0.332 0.000 2.836 326 K HA 0.081 4.404 4.320 0.005 0.000 0.236 326 K C 0.932 177.684 176.600 0.255 0.000 1.015 326 K CA 0.711 57.147 56.287 0.249 0.000 1.194 326 K CB -0.843 31.750 32.500 0.154 0.000 1.002 326 K HN 0.402 nan 8.250 nan 0.000 0.479 327 S N -2.305 113.543 115.700 0.246 0.000 2.800 327 S HA 0.227 4.700 4.470 0.005 0.000 0.266 327 S C 0.666 175.305 174.600 0.065 0.000 1.029 327 S CA -0.582 57.701 58.200 0.139 0.000 1.302 327 S CB 0.742 63.967 63.200 0.042 0.000 1.212 327 S HN -0.066 nan 8.310 nan 0.000 0.683 328 K N 2.012 122.465 120.400 0.088 0.000 3.705 328 K HA 0.564 4.887 4.320 0.005 0.000 0.259 328 K C -0.463 175.939 176.600 -0.330 0.000 0.995 328 K CA -0.031 56.175 56.287 -0.135 0.000 1.722 328 K CB -0.309 31.919 32.500 -0.455 0.000 3.149 328 K HN 0.497 nan 8.250 nan 0.000 0.897 329 D N -2.543 117.588 120.400 -0.448 0.000 2.768 329 D HA 0.172 4.815 4.640 0.005 0.000 0.327 329 D C 0.939 177.003 176.300 -0.393 0.000 1.302 329 D CA -0.241 53.076 54.000 -1.138 0.000 0.897 329 D CB 0.398 40.793 40.800 -0.675 0.000 1.420 329 D HN 0.321 nan 8.370 nan 0.000 0.494 330 G N 0.212 108.828 108.800 -0.306 0.000 2.491 330 G HA2 -0.189 3.774 3.960 0.005 0.000 0.218 330 G HA3 -0.189 3.774 3.960 0.005 0.000 0.218 330 G C 1.493 176.504 174.900 0.186 0.000 1.180 330 G CA 2.321 47.536 45.100 0.191 0.000 0.774 330 G HN 0.719 nan 8.290 nan 0.000 0.562 331 A N -0.132 122.744 122.820 0.094 0.000 1.917 331 A HA -0.122 4.201 4.320 0.005 0.000 0.219 331 A C 2.257 179.956 177.584 0.191 0.000 1.182 331 A CA 1.922 54.026 52.037 0.112 0.000 0.633 331 A CB -0.740 18.298 19.000 0.062 0.000 0.819 331 A HN 0.502 nan 8.150 nan 0.000 0.448 332 Y N 0.525 120.901 120.300 0.126 0.000 2.181 332 Y HA -0.161 4.390 4.550 0.003 0.000 0.288 332 Y C 2.397 178.490 175.900 0.322 0.000 1.146 332 Y CA 1.784 60.044 58.100 0.266 0.000 1.164 332 Y CB -0.342 38.270 38.460 0.254 0.000 0.982 332 Y HN 0.069 nan 8.280 nan 0.000 0.515 333 V N 0.952 121.182 119.914 0.527 0.000 2.407 333 V HA -0.292 3.831 4.120 0.005 0.000 0.248 333 V C 2.552 178.826 176.094 0.300 0.000 1.055 333 V CA 2.196 64.679 62.300 0.305 0.000 1.049 333 V CB -0.722 31.264 31.823 0.271 0.000 0.662 333 V HN 0.354 nan 8.190 nan 0.000 0.455 334 R N 0.014 120.695 120.500 0.302 0.000 2.096 334 R HA -0.224 4.119 4.340 0.005 0.000 0.235 334 R C 2.337 178.712 176.300 0.124 0.000 1.127 334 R CA 2.136 58.389 56.100 0.255 0.000 0.968 334 R CB -0.110 30.271 30.300 0.134 0.000 0.861 334 R HN 0.715 nan 8.270 nan 0.000 0.440 335 E N -1.012 119.193 120.200 0.008 0.000 2.060 335 E HA -0.151 4.202 4.350 0.005 0.000 0.189 335 E C 1.464 177.884 176.600 -0.301 0.000 0.974 335 E CA 0.994 57.271 56.400 -0.206 0.000 0.808 335 E CB 0.045 29.509 29.700 -0.393 0.000 0.768 335 E HN 0.531 nan 8.360 nan 0.000 0.453 336 H N -1.560 117.474 119.070 -0.060 0.000 2.497 336 H HA 0.084 4.643 4.556 0.004 0.000 0.282 336 H C 1.124 176.535 175.328 0.139 0.000 1.003 336 H CA 1.109 57.174 56.048 0.030 0.000 1.307 336 H CB 0.204 30.017 29.762 0.086 0.000 1.437 336 H HN 0.171 nan 8.280 nan 0.000 0.544 337 F N -0.386 119.536 119.950 -0.046 0.000 2.293 337 F HA 0.074 4.603 4.527 0.004 0.000 0.272 337 F C 1.377 177.038 175.800 -0.233 0.000 1.053 337 F CA 0.410 58.249 58.000 -0.269 0.000 1.152 337 F CB -0.604 37.916 39.000 -0.801 0.000 1.119 337 F HN -0.068 nan 8.300 nan 0.000 0.564 338 F N 1.033 120.935 119.950 -0.080 0.000 2.269 338 F HA 0.033 4.563 4.527 0.005 0.000 0.301 338 F C 2.571 178.278 175.800 -0.154 0.000 1.082 338 F CA 1.272 59.171 58.000 -0.169 0.000 1.360 338 F CB -1.347 37.611 39.000 -0.070 0.000 1.041 338 F HN 0.158 nan 8.300 nan 0.000 0.512 339 G N -0.618 108.194 108.800 0.020 0.000 2.776 339 G HA2 -0.125 3.838 3.960 0.005 0.000 0.209 339 G HA3 -0.125 3.838 3.960 0.005 0.000 0.209 339 G C 1.787 176.596 174.900 -0.152 0.000 1.145 339 G CA 0.133 45.198 45.100 -0.059 0.000 0.791 339 G HN 0.080 nan 8.290 nan 0.000 0.530 340 K N -0.350 119.902 120.400 -0.248 0.000 2.211 340 K HA 0.012 4.335 4.320 0.005 0.000 0.203 340 K C -0.343 175.831 176.600 -0.710 0.000 1.050 340 K CA 0.660 56.648 56.287 -0.497 0.000 0.945 340 K CB -0.070 32.046 32.500 -0.641 0.000 0.732 340 K HN 0.427 nan 8.250 nan 0.000 0.451 341 Y N -0.644 119.610 120.300 -0.077 0.000 2.492 341 Y HA 0.186 4.740 4.550 0.006 0.000 0.346 341 Y C -1.754 174.121 175.900 -0.041 0.000 0.997 341 Y CA -2.438 55.628 58.100 -0.056 0.000 1.025 341 Y CB 1.891 40.314 38.460 -0.062 0.000 1.263 341 Y HN -0.181 nan 8.280 nan 0.000 0.454 342 P HA -0.149 nan 4.420 nan 0.000 0.218 342 P C 0.348 177.679 177.300 0.053 0.000 1.148 342 P CA 1.696 64.832 63.100 0.059 0.000 0.822 342 P CB 0.569 32.295 31.700 0.043 0.000 0.784 343 E N 0.070 120.310 120.200 0.067 0.000 2.077 343 E HA -0.129 4.224 4.350 0.005 0.000 0.193 343 E C 2.205 178.827 176.600 0.037 0.000 0.989 343 E CA 2.212 58.631 56.400 0.031 0.000 0.800 343 E CB -1.347 28.355 29.700 0.002 0.000 0.746 343 E HN 0.423 nan 8.360 nan 0.000 0.452 344 T N -1.358 113.247 114.554 0.086 0.000 2.904 344 T HA 0.079 4.432 4.350 0.005 0.000 0.267 344 T C 2.054 176.809 174.700 0.093 0.000 1.059 344 T CA 0.781 62.953 62.100 0.120 0.000 1.137 344 T CB -0.208 68.754 68.868 0.157 0.000 0.879 344 T HN 0.161 nan 8.240 nan 0.000 0.467 345 A N 1.641 124.495 122.820 0.057 0.000 1.969 345 A HA 0.438 4.761 4.320 0.005 0.000 0.218 345 A C 2.690 180.235 177.584 -0.065 0.000 1.169 345 A CA 1.452 53.492 52.037 0.006 0.000 0.635 345 A CB -1.137 17.866 19.000 0.005 0.000 0.810 345 A HN 0.702 nan 8.150 nan 0.000 0.445 346 A N -0.359 122.433 122.820 -0.047 0.000 2.016 346 A HA 0.150 4.473 4.320 0.005 0.000 0.217 346 A C 2.004 179.525 177.584 -0.104 0.000 1.162 346 A CA 0.984 52.986 52.037 -0.058 0.000 0.662 346 A CB -0.472 18.513 19.000 -0.025 0.000 0.812 346 A HN 0.460 nan 8.150 nan 0.000 0.450 347 L N -0.246 120.884 121.223 -0.155 0.000 2.141 347 L HA -0.114 4.229 4.340 0.005 0.000 0.209 347 L C 1.939 178.522 176.870 -0.479 0.000 1.094 347 L CA 1.386 56.084 54.840 -0.237 0.000 0.763 347 L CB -0.290 41.638 42.059 -0.219 0.000 0.908 347 L HN 0.428 nan 8.230 nan 0.000 0.437 348 V N -5.337 114.203 119.914 -0.624 0.000 3.427 348 V HA 0.396 4.519 4.120 0.005 0.000 0.305 348 V C 2.139 178.074 176.094 -0.265 0.000 1.412 348 V CA 0.360 62.157 62.300 -0.837 0.000 1.086 348 V CB -0.079 30.984 31.823 -1.267 0.000 0.964 348 V HN 0.144 nan 8.190 nan 0.000 0.439 349 A N 2.660 125.394 122.820 -0.145 0.000 1.927 349 A HA -0.278 4.045 4.320 0.005 0.000 0.220 349 A C 1.898 179.508 177.584 0.044 0.000 1.185 349 A CA 2.427 54.442 52.037 -0.037 0.000 0.639 349 A CB -0.732 18.252 19.000 -0.027 0.000 0.820 349 A HN 0.801 nan 8.150 nan 0.000 0.451 350 D N -2.673 117.795 120.400 0.113 0.000 2.349 350 D HA -0.021 4.622 4.640 0.005 0.000 0.224 350 D C -0.085 176.332 176.300 0.196 0.000 1.029 350 D CA -0.155 53.925 54.000 0.135 0.000 0.879 350 D CB -0.261 40.608 40.800 0.114 0.000 0.906 350 D HN 0.509 nan 8.370 nan 0.000 0.528 351 W N 2.272 123.511 121.300 -0.102 0.000 2.375 351 W HA 0.330 4.993 4.660 0.005 0.000 0.336 351 W C 1.022 177.498 176.519 -0.072 0.000 1.160 351 W CA -0.759 56.524 57.345 -0.103 0.000 1.266 351 W CB 0.952 30.313 29.460 -0.165 0.000 1.195 351 W HN -0.222 nan 8.180 nan 0.000 0.599 352 T N -1.742 112.891 114.554 0.132 0.000 2.874 352 T HA 0.151 4.504 4.350 0.005 0.000 0.281 352 T C 0.801 175.581 174.700 0.132 0.000 0.994 352 T CA -0.568 61.583 62.100 0.085 0.000 1.015 352 T CB 1.210 70.094 68.868 0.027 0.000 1.028 352 T HN 0.421 nan 8.240 nan 0.000 0.523 353 D N 0.111 120.570 120.400 0.099 0.000 2.149 353 D HA -0.141 4.502 4.640 0.005 0.000 0.198 353 D C 1.746 178.145 176.300 0.166 0.000 0.990 353 D CA 1.376 55.446 54.000 0.118 0.000 0.839 353 D CB -0.037 40.797 40.800 0.057 0.000 0.948 353 D HN 0.865 nan 8.370 nan 0.000 0.460 354 E N 0.807 121.082 120.200 0.126 0.000 2.077 354 E HA -0.200 4.153 4.350 0.005 0.000 0.193 354 E C 1.997 178.717 176.600 0.200 0.000 0.989 354 E CA 0.886 57.382 56.400 0.160 0.000 0.800 354 E CB 0.124 29.875 29.700 0.085 0.000 0.746 354 E HN 0.297 nan 8.360 nan 0.000 0.452 355 Q N 0.049 119.933 119.800 0.139 0.000 2.124 355 Q HA -0.139 4.204 4.340 0.005 0.000 0.202 355 Q C 2.301 178.507 176.000 0.344 0.000 0.977 355 Q CA 1.294 57.162 55.803 0.108 0.000 0.850 355 Q CB -0.029 28.642 28.738 -0.112 0.000 0.901 355 Q HN 0.432 nan 8.270 nan 0.000 0.429 356 I N -0.437 120.376 120.570 0.404 0.000 2.315 356 I HA -0.238 3.935 4.170 0.005 0.000 0.248 356 I C 2.076 178.398 176.117 0.341 0.000 1.117 356 I CA 0.873 62.378 61.300 0.341 0.000 1.404 356 I CB -0.325 37.829 38.000 0.258 0.000 1.071 356 I HN 0.460 nan 8.210 nan 0.000 0.419 357 W N 1.642 123.021 121.300 0.133 0.000 2.465 357 W HA -0.123 4.541 4.660 0.006 0.000 0.268 357 W C 2.250 178.835 176.519 0.110 0.000 1.242 357 W CA 0.960 58.375 57.345 0.117 0.000 1.248 357 W CB 0.258 29.775 29.460 0.095 0.000 1.118 357 W HN 0.121 nan 8.180 nan 0.000 0.587 358 A N 0.553 123.467 122.820 0.157 0.000 2.067 358 A HA 0.015 4.338 4.320 0.005 0.000 0.217 358 A C 1.052 178.653 177.584 0.029 0.000 1.156 358 A CA 0.262 52.327 52.037 0.046 0.000 0.683 358 A CB -0.810 18.230 19.000 0.066 0.000 0.808 358 A HN 0.154 nan 8.150 nan 0.000 0.455 359 L N 1.582 122.820 121.223 0.026 0.000 2.601 359 L HA -0.016 4.327 4.340 0.005 0.000 0.277 359 L C 0.250 177.260 176.870 0.233 0.000 1.219 359 L CA -0.019 54.807 54.840 -0.023 0.000 0.915 359 L CB -0.150 41.677 42.059 -0.387 0.000 1.160 359 L HN 0.335 nan 8.230 nan 0.000 0.494 360 N N 2.986 121.938 118.700 0.420 0.000 2.381 360 N HA 0.428 5.171 4.740 0.005 0.000 0.294 360 N C -0.718 175.105 175.510 0.521 0.000 1.216 360 N CA -0.782 52.501 53.050 0.388 0.000 0.803 360 N CB 1.733 40.368 38.487 0.246 0.000 1.372 360 N HN 0.398 nan 8.380 nan 0.000 0.500 361 R N -0.344 120.314 120.500 0.264 0.000 2.539 361 R HA 0.263 4.606 4.340 0.005 0.000 0.275 361 R C 1.358 177.666 176.300 0.013 0.000 1.077 361 R CA -0.145 55.956 56.100 0.002 0.000 1.097 361 R CB 0.357 30.410 30.300 -0.411 0.000 1.018 361 R HN 0.739 nan 8.270 nan 0.000 0.483 362 G N 1.738 110.482 108.800 -0.093 0.000 2.475 362 G HA2 -0.281 3.682 3.960 0.005 0.000 0.220 362 G HA3 -0.281 3.682 3.960 0.005 0.000 0.220 362 G C 1.284 176.116 174.900 -0.113 0.000 1.125 362 G CA 0.907 45.966 45.100 -0.068 0.000 0.755 362 G HN 0.761 nan 8.290 nan 0.000 0.565 363 G N -1.116 107.540 108.800 -0.239 0.000 2.708 363 G HA2 -0.055 3.908 3.960 0.005 0.000 0.210 363 G HA3 -0.055 3.908 3.960 0.005 0.000 0.210 363 G C 1.192 175.809 174.900 -0.472 0.000 1.141 363 G CA 0.489 45.384 45.100 -0.342 0.000 0.788 363 G HN 0.582 nan 8.290 nan 0.000 0.531 364 H N -0.732 118.245 119.070 -0.154 0.000 2.672 364 H HA 0.128 4.687 4.556 0.005 0.000 0.277 364 H C -0.498 174.801 175.328 -0.050 0.000 1.074 364 H CA -0.273 55.663 56.048 -0.186 0.000 1.173 364 H CB 1.089 30.639 29.762 -0.353 0.000 1.558 364 H HN 0.249 nan 8.280 nan 0.000 0.539 365 D N 1.509 121.945 120.400 0.061 0.000 2.427 365 D HA 0.145 4.788 4.640 0.005 0.000 0.226 365 D C -1.926 174.395 176.300 0.035 0.000 1.076 365 D CA -2.142 51.896 54.000 0.064 0.000 0.849 365 D CB 2.311 43.166 40.800 0.093 0.000 1.052 365 D HN -0.021 nan 8.370 nan 0.000 0.515 366 P HA -0.149 nan 4.420 nan 0.000 0.217 366 P C 0.998 178.289 177.300 -0.015 0.000 1.148 366 P CA 1.311 64.379 63.100 -0.053 0.000 0.828 366 P CB 0.417 31.936 31.700 -0.301 0.000 0.783 367 K N -0.513 119.842 120.400 -0.075 0.000 2.097 367 K HA -0.078 4.245 4.320 0.005 0.000 0.205 367 K C 1.876 178.594 176.600 0.195 0.000 1.050 367 K CA 1.006 57.340 56.287 0.077 0.000 0.938 367 K CB -0.155 32.365 32.500 0.033 0.000 0.718 367 K HN 0.079 nan 8.250 nan 0.000 0.442 368 K N 0.844 121.323 120.400 0.132 0.000 2.167 368 K HA 0.014 4.337 4.320 0.005 0.000 0.203 368 K C 2.086 178.753 176.600 0.113 0.000 1.052 368 K CA 0.861 57.214 56.287 0.109 0.000 0.956 368 K CB -0.129 32.410 32.500 0.065 0.000 0.735 368 K HN 0.170 nan 8.250 nan 0.000 0.451 369 I N 0.104 120.768 120.570 0.156 0.000 2.163 369 I HA -0.304 3.869 4.170 0.005 0.000 0.240 369 I C 2.419 178.749 176.117 0.355 0.000 1.081 369 I CA 1.192 62.621 61.300 0.215 0.000 1.353 369 I CB -0.366 37.782 38.000 0.246 0.000 1.054 369 I HN 0.014 nan 8.210 nan 0.000 0.407 370 Y N 1.784 122.281 120.300 0.328 0.000 2.114 370 Y HA -0.352 4.201 4.550 0.005 0.000 0.282 370 Y C 2.522 178.602 175.900 0.300 0.000 1.165 370 Y CA 1.572 59.925 58.100 0.422 0.000 1.148 370 Y CB -0.464 38.274 38.460 0.464 0.000 0.972 370 Y HN 0.146 nan 8.280 nan 0.000 0.504 371 A N 0.399 123.371 122.820 0.254 0.000 1.883 371 A HA -0.192 4.131 4.320 0.005 0.000 0.217 371 A C 2.454 180.011 177.584 -0.045 0.000 1.186 371 A CA 2.261 54.359 52.037 0.102 0.000 0.624 371 A CB -1.593 17.483 19.000 0.127 0.000 0.822 371 A HN 0.631 nan 8.150 nan 0.000 0.444 372 A N -1.192 121.577 122.820 -0.084 0.000 1.858 372 A HA -0.026 4.297 4.320 0.005 0.000 0.216 372 A C 2.005 179.367 177.584 -0.370 0.000 1.190 372 A CA 1.574 53.464 52.037 -0.246 0.000 0.617 372 A CB -0.814 17.977 19.000 -0.348 0.000 0.827 372 A HN 0.484 nan 8.150 nan 0.000 0.443 373 F N -0.208 119.523 119.950 -0.366 0.000 2.186 373 F HA -0.107 4.423 4.527 0.005 0.000 0.299 373 F C 2.315 177.788 175.800 -0.545 0.000 1.090 373 F CA 1.764 59.389 58.000 -0.625 0.000 1.307 373 F CB -0.066 38.166 39.000 -1.279 0.000 1.019 373 F HN 0.112 nan 8.300 nan 0.000 0.489 374 K N 1.019 121.281 120.400 -0.229 0.000 2.057 374 K HA -0.175 4.148 4.320 0.005 0.000 0.206 374 K C 2.004 178.573 176.600 -0.051 0.000 1.050 374 K CA 1.417 57.665 56.287 -0.066 0.000 0.935 374 K CB -0.264 32.129 32.500 -0.179 0.000 0.715 374 K HN 0.062 nan 8.250 nan 0.000 0.439 375 K N -0.521 119.825 120.400 -0.090 0.000 2.097 375 K HA -0.054 4.269 4.320 0.005 0.000 0.205 375 K C 1.868 178.413 176.600 -0.092 0.000 1.050 375 K CA 1.169 57.411 56.287 -0.074 0.000 0.938 375 K CB -0.198 32.253 32.500 -0.080 0.000 0.718 375 K HN 0.186 nan 8.250 nan 0.000 0.442 376 A N 1.088 123.824 122.820 -0.140 0.000 1.902 376 A HA -0.239 4.084 4.320 0.005 0.000 0.217 376 A C 2.032 179.562 177.584 -0.090 0.000 1.181 376 A CA 1.686 53.637 52.037 -0.143 0.000 0.623 376 A CB -0.624 18.252 19.000 -0.208 0.000 0.818 376 A HN 0.571 nan 8.150 nan 0.000 0.443 377 Q N -0.400 119.376 119.800 -0.041 0.000 2.364 377 Q HA -0.165 4.178 4.340 0.005 0.000 0.207 377 Q C 1.262 177.264 176.000 0.004 0.000 0.970 377 Q CA 1.605 57.420 55.803 0.020 0.000 0.888 377 Q CB -0.059 28.758 28.738 0.132 0.000 0.951 377 Q HN 0.803 nan 8.270 nan 0.000 0.469 378 E N -0.535 119.656 120.200 -0.015 0.000 2.460 378 E HA 0.074 4.427 4.350 0.005 0.000 0.200 378 E C -0.283 176.294 176.600 -0.037 0.000 1.011 378 E CA 0.067 56.458 56.400 -0.016 0.000 0.912 378 E CB 0.761 30.457 29.700 -0.006 0.000 0.953 378 E HN 0.103 nan 8.360 nan 0.000 0.494 379 T N 2.038 116.556 114.554 -0.059 0.000 2.832 379 T HA 0.235 4.588 4.350 0.005 0.000 0.296 379 T C -0.022 174.626 174.700 -0.087 0.000 0.968 379 T CA 0.086 62.141 62.100 -0.074 0.000 1.107 379 T CB 1.041 69.854 68.868 -0.092 0.000 0.916 379 T HN -0.067 nan 8.240 nan 0.000 0.517 380 K N 0.756 121.107 120.400 -0.081 0.000 2.350 380 K HA 0.607 4.930 4.320 0.005 0.000 0.241 380 K C 1.019 177.559 176.600 -0.100 0.000 0.994 380 K CA -0.804 55.430 56.287 -0.089 0.000 0.839 380 K CB 1.926 34.388 32.500 -0.064 0.000 1.244 380 K HN 0.713 nan 8.250 nan 0.000 0.443 381 G N 1.212 109.947 108.800 -0.109 0.000 2.179 381 G HA2 -0.309 3.654 3.960 0.005 0.000 0.260 381 G HA3 -0.309 3.654 3.960 0.005 0.000 0.260 381 G C -0.297 174.508 174.900 -0.158 0.000 0.977 381 G CA 1.170 46.202 45.100 -0.113 0.000 0.641 381 G HN 0.611 nan 8.290 nan 0.000 0.533 382 K N -1.584 118.693 120.400 -0.206 0.000 2.642 382 K HA 0.777 5.100 4.320 0.005 0.000 0.290 382 K C -0.266 176.088 176.600 -0.411 0.000 1.006 382 K CA -0.507 55.596 56.287 -0.307 0.000 0.869 382 K CB 0.807 33.164 32.500 -0.238 0.000 1.499 382 K HN 1.211 nan 8.250 nan 0.000 0.403 383 A N 0.909 123.302 122.820 -0.712 0.000 2.304 383 A HA 0.585 4.908 4.320 0.005 0.000 0.271 383 A C -0.527 176.742 177.584 -0.525 0.000 1.091 383 A CA -0.230 51.299 52.037 -0.847 0.000 0.812 383 A CB 0.661 18.647 19.000 -1.690 0.000 1.056 383 A HN 0.593 nan 8.150 nan 0.000 0.489 384 T N 0.501 114.887 114.554 -0.280 0.000 2.841 384 T HA 0.502 4.855 4.350 0.005 0.000 0.283 384 T C -0.947 173.816 174.700 0.104 0.000 1.000 384 T CA -0.327 61.745 62.100 -0.046 0.000 0.977 384 T CB 1.377 70.167 68.868 -0.130 0.000 0.979 384 T HN 0.893 nan 8.240 nan 0.000 0.446 385 V N 5.119 125.094 119.914 0.101 0.000 2.448 385 V HA 0.641 4.764 4.120 0.005 0.000 0.295 385 V C -1.019 174.923 176.094 -0.253 0.000 1.025 385 V CA -0.895 61.343 62.300 -0.104 0.000 0.859 385 V CB 0.930 32.438 31.823 -0.526 0.000 0.988 385 V HN 0.840 nan 8.190 nan 0.000 0.431 386 I N 7.419 127.801 120.570 -0.313 0.000 2.339 386 I HA 0.393 4.566 4.170 0.005 0.000 0.290 386 I C -0.477 175.425 176.117 -0.358 0.000 0.994 386 I CA -0.439 60.634 61.300 -0.378 0.000 1.191 386 I CB 1.583 39.255 38.000 -0.546 0.000 1.343 386 I HN 0.409 nan 8.210 nan 0.000 0.458 387 L N 6.907 127.930 121.223 -0.332 0.000 2.272 387 L HA 0.545 4.888 4.340 0.005 0.000 0.284 387 L C 0.295 176.988 176.870 -0.296 0.000 1.045 387 L CA -0.451 54.203 54.840 -0.311 0.000 0.842 387 L CB 0.985 42.858 42.059 -0.311 0.000 1.224 387 L HN 0.637 nan 8.230 nan 0.000 0.430 388 A N 2.913 125.578 122.820 -0.258 0.000 2.260 388 A HA 0.238 4.560 4.320 0.005 0.000 0.312 388 A C -0.324 177.145 177.584 -0.191 0.000 1.321 388 A CA -0.386 51.513 52.037 -0.230 0.000 0.928 388 A CB -0.121 18.758 19.000 -0.203 0.000 1.158 388 A HN 0.786 nan 8.150 nan 0.000 0.542 389 H N 3.007 121.855 119.070 -0.370 0.000 2.955 389 H HA 0.336 4.894 4.556 0.005 0.000 0.290 389 H C 0.454 175.585 175.328 -0.328 0.000 1.047 389 H CA 0.828 56.639 56.048 -0.394 0.000 1.484 389 H CB 0.508 29.905 29.762 -0.609 0.000 1.501 389 H HN 0.790 nan 8.280 nan 0.000 0.521 390 T N 2.333 116.752 114.554 -0.225 0.000 2.831 390 T HA 0.492 4.845 4.350 0.005 0.000 0.287 390 T C -0.307 174.366 174.700 -0.044 0.000 1.070 390 T CA -1.000 60.945 62.100 -0.258 0.000 1.010 390 T CB 1.647 70.328 68.868 -0.312 0.000 1.264 390 T HN 0.412 nan 8.240 nan 0.000 0.532 391 I N 1.054 121.765 120.570 0.235 0.000 2.389 391 I HA 0.409 4.582 4.170 0.005 0.000 0.288 391 I C 0.062 176.324 176.117 0.243 0.000 0.999 391 I CA -0.965 60.460 61.300 0.209 0.000 1.129 391 I CB 1.872 40.012 38.000 0.233 0.000 1.288 391 I HN 0.648 nan 8.210 nan 0.000 0.444 392 K N 4.502 125.011 120.400 0.182 0.000 2.350 392 K HA 0.357 4.679 4.320 0.005 0.000 0.279 392 K C 0.956 177.682 176.600 0.211 0.000 1.027 392 K CA 0.700 57.102 56.287 0.191 0.000 0.969 392 K CB 0.680 33.274 32.500 0.157 0.000 0.954 392 K HN 0.872 nan 8.250 nan 0.000 0.474 393 G N 2.970 111.909 108.800 0.232 0.000 2.160 393 G HA2 -0.314 3.649 3.960 0.005 0.000 0.244 393 G HA3 -0.314 3.649 3.960 0.005 0.000 0.244 393 G C -0.392 174.658 174.900 0.250 0.000 1.022 393 G CA 0.265 45.498 45.100 0.221 0.000 0.741 393 G HN 0.712 nan 8.290 nan 0.000 0.508 394 Y N 0.660 121.048 120.300 0.147 0.000 2.805 394 Y HA 0.291 4.844 4.550 0.005 0.000 0.331 394 Y C 1.614 177.641 175.900 0.212 0.000 1.241 394 Y CA 1.264 59.432 58.100 0.112 0.000 1.546 394 Y CB 0.323 38.838 38.460 0.092 0.000 1.248 394 Y HN 1.442 nan 8.280 nan 0.000 0.559 395 G N 5.231 113.813 108.800 -0.364 0.000 2.166 395 G HA2 -0.343 3.620 3.960 0.005 0.000 0.260 395 G HA3 -0.343 3.620 3.960 0.005 0.000 0.260 395 G C 0.671 175.589 174.900 0.029 0.000 0.986 395 G CA 0.697 45.607 45.100 -0.317 0.000 0.683 395 G HN 0.689 nan 8.290 nan 0.000 0.527 396 M N 0.067 119.760 119.600 0.156 0.000 2.428 396 M HA 0.373 4.856 4.480 0.005 0.000 0.239 396 M C 1.669 178.141 176.300 0.287 0.000 1.121 396 M CA 0.885 56.330 55.300 0.241 0.000 1.019 396 M CB 0.342 33.064 32.600 0.204 0.000 1.485 396 M HN 1.213 nan 8.290 nan 0.000 0.484 397 G N 1.255 110.218 108.800 0.271 0.000 2.593 397 G HA2 -0.254 3.709 3.960 0.005 0.000 0.237 397 G HA3 -0.254 3.709 3.960 0.005 0.000 0.237 397 G C -0.084 174.869 174.900 0.088 0.000 1.312 397 G CA -0.087 45.109 45.100 0.161 0.000 0.896 397 G HN 0.359 nan 8.290 nan 0.000 0.574 398 D N 0.316 120.728 120.400 0.020 0.000 2.149 398 D HA -0.045 4.598 4.640 0.005 0.000 0.198 398 D C 2.710 179.038 176.300 0.047 0.000 0.990 398 D CA 2.249 56.270 54.000 0.034 0.000 0.839 398 D CB -0.682 40.118 40.800 0.001 0.000 0.948 398 D HN 0.879 nan 8.370 nan 0.000 0.460 399 A N 1.874 124.719 122.820 0.042 0.000 1.836 399 A HA 0.132 4.455 4.320 0.005 0.000 0.215 399 A C 1.348 178.981 177.584 0.083 0.000 1.214 399 A CA 2.269 54.341 52.037 0.057 0.000 0.636 399 A CB -1.098 17.938 19.000 0.061 0.000 0.847 399 A HN 0.582 nan 8.150 nan 0.000 0.451 415 D N -1.015 119.409 120.400 0.040 0.000 2.006 415 D HA 0.235 4.878 4.640 0.005 0.000 0.470 415 D C 1.348 177.693 176.300 0.074 0.000 0.943 415 D CA 1.004 55.039 54.000 0.060 0.000 0.970 415 D CB 0.155 40.982 40.800 0.045 0.000 1.599 415 D HN 0.391 nan 8.370 nan 0.000 0.516 416 G N 0.828 109.664 108.800 0.059 0.000 2.615 416 G HA2 -0.112 3.851 3.960 0.005 0.000 0.213 416 G HA3 -0.112 3.851 3.960 0.005 0.000 0.213 416 G C 1.382 176.347 174.900 0.108 0.000 1.135 416 G CA 1.375 46.516 45.100 0.068 0.000 0.772 416 G HN 0.487 nan 8.290 nan 0.000 0.542 417 V N -1.030 118.953 119.914 0.114 0.000 3.649 417 V HA 0.235 4.358 4.120 0.005 0.000 0.275 417 V C 2.120 178.366 176.094 0.253 0.000 1.281 417 V CA 0.700 63.090 62.300 0.150 0.000 1.143 417 V CB -0.261 31.596 31.823 0.057 0.000 0.892 417 V HN 0.487 nan 8.190 nan 0.000 0.441 418 R N -0.415 120.214 120.500 0.215 0.000 2.307 418 R HA -0.049 4.294 4.340 0.005 0.000 0.199 418 R C 1.938 178.351 176.300 0.188 0.000 1.000 418 R CA 1.249 57.471 56.100 0.203 0.000 1.023 418 R CB -0.824 29.556 30.300 0.134 0.000 0.908 418 R HN 0.638 nan 8.270 nan 0.000 0.473 419 H N 2.408 121.542 119.070 0.106 0.000 2.333 419 H HA -0.029 4.531 4.556 0.006 0.000 0.302 419 H C 1.954 177.326 175.328 0.073 0.000 1.075 419 H CA 2.186 58.273 56.048 0.065 0.000 1.348 419 H CB -0.024 29.769 29.762 0.052 0.000 1.393 419 H HN 0.391 nan 8.280 nan 0.000 0.509 420 I N -1.521 119.088 120.570 0.064 0.000 2.546 420 I HA -0.071 4.102 4.170 0.005 0.000 0.255 420 I C 2.544 178.811 176.117 0.250 0.000 1.163 420 I CA 1.242 62.618 61.300 0.127 0.000 1.457 420 I CB -0.451 37.766 38.000 0.362 0.000 1.092 420 I HN 0.108 nan 8.210 nan 0.000 0.434 421 R N 1.416 122.087 120.500 0.285 0.000 2.081 421 R HA -0.176 4.167 4.340 0.005 0.000 0.235 421 R C 1.758 178.063 176.300 0.008 0.000 1.131 421 R CA 2.239 58.428 56.100 0.149 0.000 0.960 421 R CB -0.197 30.160 30.300 0.095 0.000 0.856 421 R HN 0.448 nan 8.270 nan 0.000 0.436 422 D N -0.473 119.909 120.400 -0.030 0.000 2.213 422 D HA -0.100 4.543 4.640 0.005 0.000 0.205 422 D C 1.905 178.101 176.300 -0.175 0.000 0.961 422 D CA 0.618 54.571 54.000 -0.079 0.000 0.853 422 D CB -0.052 40.719 40.800 -0.049 0.000 0.967 422 D HN 0.080 nan 8.370 nan 0.000 0.496 423 R N 0.411 120.709 120.500 -0.338 0.000 2.096 423 R HA -0.084 4.259 4.340 0.005 0.000 0.235 423 R C 1.017 176.894 176.300 -0.706 0.000 1.127 423 R CA 1.158 56.879 56.100 -0.632 0.000 0.968 423 R CB -0.484 29.217 30.300 -0.998 0.000 0.861 423 R HN 0.080 nan 8.270 nan 0.000 0.440 424 F N 0.688 120.606 119.950 -0.054 0.000 2.668 424 F HA 0.363 4.893 4.527 0.005 0.000 0.301 424 F C -0.045 175.750 175.800 -0.008 0.000 1.106 424 F CA -0.718 57.279 58.000 -0.004 0.000 1.289 424 F CB -0.071 38.963 39.000 0.056 0.000 1.006 424 F HN -0.034 nan 8.300 nan 0.000 0.535 425 N N 0.782 119.513 118.700 0.052 0.000 2.705 425 N HA -0.167 4.576 4.740 0.005 0.000 0.255 425 N C -0.548 174.958 175.510 -0.007 0.000 1.008 425 N CA 0.313 53.371 53.050 0.012 0.000 0.742 425 N CB -1.267 37.234 38.487 0.024 0.000 0.906 425 N HN 0.050 nan 8.380 nan 0.000 0.541 426 V N 2.037 121.907 119.914 -0.074 0.000 2.470 426 V HA 0.136 4.259 4.120 0.005 0.000 0.276 426 V C -1.092 174.822 176.094 -0.300 0.000 1.040 426 V CA -0.911 61.239 62.300 -0.249 0.000 1.008 426 V CB 1.194 32.672 31.823 -0.575 0.000 0.990 426 V HN 0.165 nan 8.190 nan 0.000 0.477 427 P HA 0.121 nan 4.420 nan 0.000 0.235 427 P C -0.631 176.532 177.300 -0.228 0.000 1.765 427 P CA 0.369 63.364 63.100 -0.174 0.000 1.034 427 P CB 0.530 32.180 31.700 -0.084 0.000 1.984 428 V N 1.202 120.945 119.914 -0.285 0.000 2.525 428 V HA 0.294 4.417 4.120 0.005 0.000 0.299 428 V C 0.120 176.137 176.094 -0.129 0.000 1.034 428 V CA -0.787 61.372 62.300 -0.236 0.000 0.863 428 V CB 1.905 33.500 31.823 -0.380 0.000 0.999 428 V HN 0.338 nan 8.190 nan 0.000 0.423 429 S N 4.120 119.779 115.700 -0.068 0.000 2.702 429 S HA -0.081 4.392 4.470 0.005 0.000 0.314 429 S C 1.123 175.714 174.600 -0.015 0.000 1.244 429 S CA 0.766 58.946 58.200 -0.033 0.000 1.058 429 S CB 0.239 63.430 63.200 -0.016 0.000 0.783 429 S HN 1.019 nan 8.310 nan 0.000 0.503 430 D N 3.897 124.292 120.400 -0.009 0.000 2.403 430 D HA -0.016 4.627 4.640 0.005 0.000 0.227 430 D C 1.434 177.747 176.300 0.022 0.000 0.995 430 D CA 1.116 55.123 54.000 0.013 0.000 0.928 430 D CB -0.219 40.588 40.800 0.012 0.000 0.887 430 D HN 0.623 nan 8.370 nan 0.000 0.529 431 A N -0.343 122.485 122.820 0.014 0.000 2.115 431 A HA 0.048 4.371 4.320 0.005 0.000 0.211 431 A C 1.647 179.244 177.584 0.021 0.000 1.169 431 A CA 0.336 52.383 52.037 0.016 0.000 0.787 431 A CB 0.330 19.335 19.000 0.009 0.000 0.858 431 A HN 0.076 nan 8.150 nan 0.000 0.474 432 D N -0.004 120.412 120.400 0.026 0.000 2.360 432 D HA 0.059 4.702 4.640 0.005 0.000 0.210 432 D C 1.569 177.908 176.300 0.065 0.000 1.047 432 D CA 0.019 54.039 54.000 0.035 0.000 0.854 432 D CB 0.131 40.949 40.800 0.029 0.000 0.936 432 D HN 0.251 nan 8.370 nan 0.000 0.514 433 I N 1.844 122.467 120.570 0.089 0.000 2.248 433 I HA -0.258 3.915 4.170 0.005 0.000 0.248 433 I C 2.036 178.206 176.117 0.087 0.000 1.107 433 I CA 1.298 62.686 61.300 0.147 0.000 1.373 433 I CB -0.943 37.148 38.000 0.152 0.000 1.055 433 I HN 0.106 nan 8.210 nan 0.000 0.418 434 E N 0.621 120.851 120.200 0.049 0.000 2.160 434 E HA -0.252 4.101 4.350 0.005 0.000 0.195 434 E C 2.124 178.724 176.600 0.001 0.000 0.991 434 E CA 1.063 57.476 56.400 0.021 0.000 0.810 434 E CB -0.197 29.512 29.700 0.016 0.000 0.742 434 E HN 0.465 nan 8.360 nan 0.000 0.466 435 K N 1.192 121.596 120.400 0.005 0.000 2.432 435 K HA -0.049 4.274 4.320 0.005 0.000 0.196 435 K C 0.166 176.731 176.600 -0.058 0.000 1.038 435 K CA 0.199 56.475 56.287 -0.019 0.000 0.986 435 K CB -0.015 32.481 32.500 -0.006 0.000 0.782 435 K HN 0.075 nan 8.250 nan 0.000 0.485 436 L N 1.412 122.612 121.223 -0.039 0.000 3.713 436 L HA -0.156 4.187 4.340 0.005 0.000 0.499 436 L C -2.242 174.500 176.870 -0.213 0.000 1.281 436 L CA -0.557 54.209 54.840 -0.123 0.000 0.796 436 L CB -1.516 40.416 42.059 -0.212 0.000 1.535 436 L HN 0.257 nan 8.230 nan 0.000 0.851 437 P HA 0.150 nan 4.420 nan 0.000 0.277 437 P C -0.588 176.724 177.300 0.020 0.000 1.240 437 P CA -0.130 62.938 63.100 -0.053 0.000 0.798 437 P CB 0.674 32.413 31.700 0.064 0.000 0.979 438 Y N 0.729 121.104 120.300 0.125 0.000 2.320 438 Y HA 0.263 4.816 4.550 0.005 0.000 0.324 438 Y C 1.015 177.038 175.900 0.206 0.000 1.190 438 Y CA -0.427 57.756 58.100 0.139 0.000 1.215 438 Y CB 0.566 38.986 38.460 -0.067 0.000 1.221 438 Y HN 0.140 nan 8.280 nan 0.000 0.486 439 I N 2.476 123.293 120.570 0.411 0.000 2.392 439 I HA 0.348 4.521 4.170 0.005 0.000 0.295 439 I C 0.210 176.346 176.117 0.033 0.000 0.985 439 I CA -0.504 60.862 61.300 0.110 0.000 1.221 439 I CB 1.112 39.075 38.000 -0.063 0.000 1.366 439 I HN 0.686 nan 8.210 nan 0.000 0.467 440 T N 2.280 116.739 114.554 -0.159 0.000 2.903 440 T HA 0.665 5.018 4.350 0.005 0.000 0.299 440 T C -0.928 173.563 174.700 -0.348 0.000 1.093 440 T CA -0.599 61.363 62.100 -0.230 0.000 1.002 440 T CB 1.664 70.479 68.868 -0.089 0.000 1.127 440 T HN 0.078 nan 8.240 nan 0.000 0.488 441 F N 3.135 123.113 119.950 0.046 0.000 2.402 441 F HA 0.488 5.017 4.527 0.005 0.000 0.355 441 F C -1.836 174.001 175.800 0.062 0.000 1.123 441 F CA -2.438 55.606 58.000 0.073 0.000 1.021 441 F CB 1.304 40.372 39.000 0.113 0.000 1.160 441 F HN 0.411 nan 8.300 nan 0.000 0.451 442 P HA -0.023 nan 4.420 nan 0.000 0.269 442 P C -0.284 176.924 177.300 -0.155 0.000 1.209 442 P CA -0.268 62.837 63.100 0.008 0.000 0.776 442 P CB 0.864 32.573 31.700 0.014 0.000 0.876 443 E N 0.698 120.666 120.200 -0.388 0.000 2.465 443 E HA 0.171 4.524 4.350 0.005 0.000 0.260 443 E C 1.150 177.579 176.600 -0.286 0.000 0.980 443 E CA 0.953 56.927 56.400 -0.711 0.000 0.927 443 E CB -0.523 28.909 29.700 -0.447 0.000 0.934 443 E HN 0.778 nan 8.360 nan 0.000 0.459 444 G N 3.082 111.779 108.800 -0.172 0.000 2.254 444 G HA2 -0.325 3.638 3.960 0.005 0.000 0.225 444 G HA3 -0.325 3.638 3.960 0.005 0.000 0.225 444 G C 0.239 175.157 174.900 0.030 0.000 1.003 444 G CA 0.197 45.283 45.100 -0.025 0.000 0.622 444 G HN 0.926 nan 8.290 nan 0.000 0.507 445 S N 0.406 116.134 115.700 0.047 0.000 2.579 445 S HA 0.470 4.943 4.470 0.005 0.000 0.275 445 S C 1.131 175.774 174.600 0.073 0.000 1.345 445 S CA 0.813 59.056 58.200 0.072 0.000 1.031 445 S CB 2.011 65.283 63.200 0.120 0.000 0.892 445 S HN 0.581 nan 8.310 nan 0.000 0.529 446 E N 1.199 121.412 120.200 0.022 0.000 2.085 446 E HA -0.250 4.103 4.350 0.005 0.000 0.194 446 E C 1.496 178.077 176.600 -0.031 0.000 0.994 446 E CA 1.801 58.205 56.400 0.005 0.000 0.801 446 E CB -0.193 29.491 29.700 -0.028 0.000 0.743 446 E HN 0.843 nan 8.360 nan 0.000 0.453 447 E N -0.179 119.907 120.200 -0.190 0.000 2.051 447 E HA -0.218 4.135 4.350 0.005 0.000 0.192 447 E C 2.018 178.517 176.600 -0.168 0.000 0.991 447 E CA 1.438 57.586 56.400 -0.419 0.000 0.799 447 E CB -0.407 28.483 29.700 -1.349 0.000 0.748 447 E HN 0.371 nan 8.360 nan 0.000 0.449 448 H N 0.422 119.439 119.070 -0.089 0.000 2.290 448 H HA -0.108 4.451 4.556 0.005 0.000 0.298 448 H C 1.724 177.147 175.328 0.158 0.000 1.087 448 H CA 2.077 58.188 56.048 0.105 0.000 1.291 448 H CB -0.086 29.778 29.762 0.169 0.000 1.369 448 H HN 0.139 nan 8.280 nan 0.000 0.492 449 T N 0.500 115.211 114.554 0.262 0.000 2.684 449 T HA -0.223 4.130 4.350 0.005 0.000 0.267 449 T C 1.801 176.557 174.700 0.094 0.000 1.036 449 T CA 1.755 63.968 62.100 0.189 0.000 1.148 449 T CB -0.821 68.139 68.868 0.155 0.000 0.863 449 T HN 0.426 nan 8.240 nan 0.000 0.436 450 Y N 1.460 121.739 120.300 -0.036 0.000 2.114 450 Y HA -0.086 4.467 4.550 0.005 0.000 0.284 450 Y C 2.281 178.119 175.900 -0.103 0.000 1.143 450 Y CA 1.181 59.241 58.100 -0.067 0.000 1.135 450 Y CB -0.555 37.853 38.460 -0.085 0.000 0.980 450 Y HN 0.133 nan 8.280 nan 0.000 0.499 451 L N -0.635 120.610 121.223 0.038 0.000 1.997 451 L HA -0.357 3.986 4.340 0.005 0.000 0.216 451 L C 2.456 179.174 176.870 -0.252 0.000 1.074 451 L CA 2.128 56.894 54.840 -0.124 0.000 0.763 451 L CB -0.665 41.258 42.059 -0.226 0.000 0.890 451 L HN 0.355 nan 8.230 nan 0.000 0.434 452 H N -0.585 118.411 119.070 -0.123 0.000 2.428 452 H HA -0.009 4.550 4.556 0.005 0.000 0.296 452 H C 2.217 177.471 175.328 -0.123 0.000 1.062 452 H CA 1.175 57.177 56.048 -0.077 0.000 1.350 452 H CB -0.135 29.559 29.762 -0.113 0.000 1.403 452 H HN 0.577 nan 8.280 nan 0.000 0.533 453 A N 1.280 124.057 122.820 -0.072 0.000 1.902 453 A HA -0.164 4.159 4.320 0.005 0.000 0.217 453 A C 2.355 179.794 177.584 -0.242 0.000 1.181 453 A CA 1.160 53.107 52.037 -0.150 0.000 0.623 453 A CB -0.174 18.717 19.000 -0.182 0.000 0.818 453 A HN 0.264 nan 8.150 nan 0.000 0.443 454 Q N -0.461 119.124 119.800 -0.359 0.000 2.124 454 Q HA -0.119 4.224 4.340 0.005 0.000 0.202 454 Q C 2.178 178.033 176.000 -0.242 0.000 0.977 454 Q CA 1.127 56.711 55.803 -0.365 0.000 0.850 454 Q CB -0.404 28.059 28.738 -0.459 0.000 0.901 454 Q HN 0.485 nan 8.270 nan 0.000 0.429 455 R N 0.539 120.914 120.500 -0.208 0.000 2.073 455 R HA -0.022 4.321 4.340 0.005 0.000 0.229 455 R C 2.107 178.241 176.300 -0.277 0.000 1.120 455 R CA 0.773 56.732 56.100 -0.234 0.000 0.967 455 R CB -0.395 29.705 30.300 -0.333 0.000 0.862 455 R HN 0.323 nan 8.270 nan 0.000 0.436 456 Q N 1.018 120.680 119.800 -0.230 0.000 2.135 456 Q HA -0.104 4.239 4.340 0.005 0.000 0.204 456 Q C 1.853 177.723 176.000 -0.217 0.000 0.981 456 Q CA 1.331 57.017 55.803 -0.195 0.000 0.856 456 Q CB -0.155 28.515 28.738 -0.114 0.000 0.902 456 Q HN 0.362 nan 8.270 nan 0.000 0.425 457 K N 0.119 120.395 120.400 -0.208 0.000 2.280 457 K HA -0.041 4.282 4.320 0.005 0.000 0.202 457 K C 1.445 177.899 176.600 -0.243 0.000 1.047 457 K CA 0.604 56.760 56.287 -0.217 0.000 0.942 457 K CB 0.065 32.455 32.500 -0.184 0.000 0.739 457 K HN 0.152 nan 8.250 nan 0.000 0.457 458 L N 0.026 121.136 121.223 -0.189 0.000 2.791 458 L HA 0.155 4.498 4.340 0.005 0.000 0.239 458 L C -0.553 176.320 176.870 0.005 0.000 1.203 458 L CA -0.032 54.759 54.840 -0.081 0.000 1.002 458 L CB -0.416 41.633 42.059 -0.017 0.000 1.295 458 L HN 0.331 nan 8.230 nan 0.000 0.504 459 H N -1.165 117.857 119.070 -0.080 0.000 3.109 459 H HA -0.129 4.430 4.556 0.005 0.000 0.245 459 H C 0.925 176.179 175.328 -0.123 0.000 1.187 459 H CA 0.604 56.608 56.048 -0.073 0.000 1.136 459 H CB -1.169 28.577 29.762 -0.026 0.000 1.243 459 H HN 0.630 nan 8.280 nan 0.000 0.328 460 G N -1.843 106.842 108.800 -0.192 0.000 2.341 460 G HA2 -0.047 3.916 3.960 0.005 0.000 0.196 460 G HA3 -0.047 3.916 3.960 0.005 0.000 0.196 460 G C -1.298 173.195 174.900 -0.678 0.000 1.231 460 G CA -0.480 44.347 45.100 -0.456 0.000 1.155 460 G HN 0.225 nan 8.290 nan 0.000 0.529 461 Y N -0.234 120.115 120.300 0.081 0.000 2.487 461 Y HA 0.843 5.396 4.550 0.005 0.000 0.337 461 Y C 0.559 176.494 175.900 0.059 0.000 1.076 461 Y CA -0.786 57.359 58.100 0.075 0.000 1.115 461 Y CB 2.074 40.556 38.460 0.036 0.000 1.235 461 Y HN 0.717 nan 8.280 nan 0.000 0.468 462 L N 4.734 126.098 121.223 0.235 0.000 2.445 462 L HA 0.701 5.044 4.340 0.005 0.000 0.262 462 L C -2.917 174.014 176.870 0.102 0.000 0.974 462 L CA -2.101 52.822 54.840 0.138 0.000 0.822 462 L CB 2.917 45.089 42.059 0.188 0.000 1.339 462 L HN 0.417 nan 8.230 nan 0.000 0.409 463 P HA 0.351 nan 4.420 nan 0.000 0.281 463 P C -1.511 175.448 177.300 -0.569 0.000 1.249 463 P CA -0.244 62.638 63.100 -0.362 0.000 0.810 463 P CB 1.752 33.187 31.700 -0.441 0.000 1.008 464 S N 0.991 116.500 115.700 -0.318 0.000 2.570 464 S HA 0.726 5.199 4.470 0.005 0.000 0.270 464 S C -1.068 173.440 174.600 -0.153 0.000 1.149 464 S CA -0.925 57.145 58.200 -0.217 0.000 0.837 464 S CB 2.482 65.638 63.200 -0.074 0.000 1.124 464 S HN 0.682 nan 8.310 nan 0.000 0.465 465 R N 0.588 121.031 120.500 -0.094 0.000 2.626 465 R HA 0.428 4.771 4.340 0.005 0.000 0.274 465 R C -1.762 174.516 176.300 -0.036 0.000 1.031 465 R CA -0.406 55.643 56.100 -0.085 0.000 0.898 465 R CB 1.999 32.242 30.300 -0.095 0.000 1.222 465 R HN 0.862 nan 8.270 nan 0.000 0.455 466 Q N 4.986 124.764 119.800 -0.037 0.000 2.340 466 Q HA 0.325 4.668 4.340 0.005 0.000 0.259 466 Q C -2.032 173.977 176.000 0.014 0.000 0.964 466 Q CA -2.149 53.654 55.803 0.001 0.000 0.900 466 Q CB 1.830 30.577 28.738 0.015 0.000 1.228 466 Q HN 0.403 nan 8.270 nan 0.000 0.449 467 P HA -0.029 nan 4.420 nan 0.000 0.221 467 P C -0.677 176.732 177.300 0.181 0.000 1.150 467 P CA 0.891 64.045 63.100 0.089 0.000 0.800 467 P CB 0.453 32.187 31.700 0.056 0.000 0.787 468 N N -0.723 118.050 118.700 0.121 0.000 2.265 468 N HA 0.284 5.027 4.740 0.005 0.000 0.300 468 N C -0.603 174.990 175.510 0.139 0.000 1.148 468 N CA -0.657 52.439 53.050 0.077 0.000 0.772 468 N CB 1.575 39.993 38.487 -0.115 0.000 1.434 468 N HN -0.087 nan 8.380 nan 0.000 0.481 469 F N -1.138 118.939 119.950 0.211 0.000 2.371 469 F HA 0.431 4.961 4.527 0.005 0.000 0.329 469 F C 1.835 177.699 175.800 0.107 0.000 1.107 469 F CA -0.695 57.413 58.000 0.179 0.000 1.137 469 F CB 0.261 39.407 39.000 0.242 0.000 1.214 469 F HN 0.483 nan 8.300 nan 0.000 0.536 470 T N -2.022 112.702 114.554 0.283 0.000 2.976 470 T HA 0.014 4.367 4.350 0.005 0.000 0.257 470 T C 0.566 175.389 174.700 0.204 0.000 1.051 470 T CA 0.457 62.650 62.100 0.156 0.000 1.141 470 T CB -0.650 68.290 68.868 0.119 0.000 0.881 470 T HN 0.826 nan 8.240 nan 0.000 0.461 471 E N 1.601 121.997 120.200 0.327 0.000 2.409 471 E HA 0.123 4.476 4.350 0.005 0.000 0.257 471 E C -0.336 176.460 176.600 0.326 0.000 1.150 471 E CA -0.623 55.936 56.400 0.265 0.000 0.942 471 E CB 0.556 30.379 29.700 0.205 0.000 0.979 471 E HN 0.380 nan 8.360 nan 0.000 0.447 472 K N 2.879 123.405 120.400 0.211 0.000 2.307 472 K HA 0.296 4.619 4.320 0.005 0.000 0.263 472 K C -0.937 175.769 176.600 0.177 0.000 0.973 472 K CA -0.604 55.803 56.287 0.200 0.000 0.846 472 K CB 0.787 33.358 32.500 0.118 0.000 1.100 472 K HN 0.524 nan 8.250 nan 0.000 0.438 473 L N 3.047 124.397 121.223 0.211 0.000 2.357 473 L HA 0.306 4.649 4.340 0.005 0.000 0.273 473 L C 0.291 177.233 176.870 0.119 0.000 1.080 473 L CA -0.733 54.193 54.840 0.143 0.000 0.803 473 L CB 1.342 43.489 42.059 0.146 0.000 1.174 473 L HN 0.549 nan 8.230 nan 0.000 0.443 474 E N 3.187 123.440 120.200 0.088 0.000 2.206 474 E HA 0.252 4.605 4.350 0.005 0.000 0.244 474 E C -0.620 176.031 176.600 0.085 0.000 1.055 474 E CA -0.686 55.761 56.400 0.079 0.000 0.970 474 E CB 0.587 30.321 29.700 0.057 0.000 1.256 474 E HN 0.252 nan 8.360 nan 0.000 0.456 475 L N 3.551 124.841 121.223 0.111 0.000 2.483 475 L HA 0.119 4.462 4.340 0.005 0.000 0.275 475 L C -1.637 175.324 176.870 0.152 0.000 1.220 475 L CA -1.288 53.632 54.840 0.133 0.000 0.833 475 L CB -0.545 41.601 42.059 0.144 0.000 1.102 475 L HN 0.185 nan 8.230 nan 0.000 0.490 476 P HA 0.155 nan 4.420 nan 0.000 0.274 476 P C -0.759 176.743 177.300 0.337 0.000 1.231 476 P CA -0.482 62.727 63.100 0.181 0.000 0.790 476 P CB 0.846 32.606 31.700 0.100 0.000 0.951 477 S N 1.512 117.348 115.700 0.227 0.000 2.669 477 S HA 0.132 4.605 4.470 0.005 0.000 0.270 477 S C 1.227 175.889 174.600 0.103 0.000 1.225 477 S CA -0.694 57.629 58.200 0.205 0.000 0.991 477 S CB 0.353 63.607 63.200 0.091 0.000 0.987 477 S HN 0.339 nan 8.310 nan 0.000 0.552 478 L N 0.807 121.847 121.223 -0.305 0.000 2.079 478 L HA -0.080 4.263 4.340 0.005 0.000 0.210 478 L C 2.542 179.425 176.870 0.022 0.000 1.081 478 L CA 1.830 56.457 54.840 -0.354 0.000 0.752 478 L CB -1.173 40.601 42.059 -0.475 0.000 0.896 478 L HN 0.709 nan 8.230 nan 0.000 0.433 479 Q N -0.270 119.525 119.800 -0.008 0.000 2.181 479 Q HA -0.209 4.134 4.340 0.005 0.000 0.205 479 Q C 1.834 177.838 176.000 0.005 0.000 0.980 479 Q CA 1.572 57.378 55.803 0.005 0.000 0.862 479 Q CB -0.547 28.185 28.738 -0.011 0.000 0.905 479 Q HN 0.606 nan 8.270 nan 0.000 0.429 480 D N -0.491 119.901 120.400 -0.013 0.000 2.263 480 D HA -0.116 4.527 4.640 0.005 0.000 0.208 480 D C 0.779 176.909 176.300 -0.283 0.000 0.971 480 D CA 0.715 54.616 54.000 -0.166 0.000 0.867 480 D CB -0.141 40.504 40.800 -0.258 0.000 0.929 480 D HN 0.275 nan 8.370 nan 0.000 0.492 481 F N 0.133 120.058 119.950 -0.042 0.000 2.660 481 F HA 0.267 4.797 4.527 0.005 0.000 0.302 481 F C 2.245 178.024 175.800 -0.035 0.000 1.103 481 F CA -0.422 57.557 58.000 -0.035 0.000 1.340 481 F CB -0.042 38.943 39.000 -0.025 0.000 1.048 481 F HN -0.123 nan 8.300 nan 0.000 0.551 482 G N 0.806 109.651 108.800 0.077 0.000 2.547 482 G HA2 -0.371 3.592 3.960 0.005 0.000 0.221 482 G HA3 -0.371 3.592 3.960 0.005 0.000 0.221 482 G C 1.980 176.899 174.900 0.032 0.000 1.140 482 G CA 1.107 46.229 45.100 0.037 0.000 0.760 482 G HN 0.439 nan 8.290 nan 0.000 0.583 483 A N 0.033 122.865 122.820 0.020 0.000 1.940 483 A HA 0.054 4.377 4.320 0.005 0.000 0.219 483 A C 2.261 179.869 177.584 0.040 0.000 1.176 483 A CA 1.558 53.604 52.037 0.015 0.000 0.631 483 A CB -0.306 18.691 19.000 -0.004 0.000 0.814 483 A HN 0.334 nan 8.150 nan 0.000 0.446 484 L N -0.583 120.687 121.223 0.078 0.000 2.478 484 L HA 0.073 4.416 4.340 0.005 0.000 0.223 484 L C 1.961 178.907 176.870 0.127 0.000 1.140 484 L CA 0.822 55.724 54.840 0.103 0.000 0.842 484 L CB -0.273 41.871 42.059 0.142 0.000 0.953 484 L HN 0.356 nan 8.230 nan 0.000 0.452 485 L N -1.424 119.854 121.223 0.093 0.000 2.446 485 L HA 0.062 4.405 4.340 0.005 0.000 0.219 485 L C 0.774 177.644 176.870 0.000 0.000 1.116 485 L CA 0.106 54.981 54.840 0.058 0.000 0.844 485 L CB -0.185 41.876 42.059 0.002 0.000 0.970 485 L HN 0.262 nan 8.230 nan 0.000 0.457 486 E N 0.633 120.840 120.200 0.013 0.000 2.322 486 E HA 0.128 4.481 4.350 0.005 0.000 0.257 486 E C -0.227 176.377 176.600 0.006 0.000 1.155 486 E CA -0.593 55.802 56.400 -0.008 0.000 0.936 486 E CB 0.870 30.567 29.700 -0.004 0.000 1.130 486 E HN 0.061 nan 8.360 nan 0.000 0.465 487 E N 1.203 121.398 120.200 -0.007 0.000 2.384 487 E HA -0.065 4.288 4.350 0.005 0.000 0.266 487 E C -0.560 176.033 176.600 -0.013 0.000 1.012 487 E CA -0.379 56.011 56.400 -0.018 0.000 0.901 487 E CB 0.573 30.284 29.700 0.019 0.000 0.967 487 E HN 0.204 nan 8.360 nan 0.000 0.435 488 Q N 2.323 122.093 119.800 -0.051 0.000 2.293 488 Q HA 0.104 4.447 4.340 0.005 0.000 0.251 488 Q C 0.664 176.671 176.000 0.012 0.000 0.930 488 Q CA -0.056 55.734 55.803 -0.022 0.000 0.893 488 Q CB 1.780 30.496 28.738 -0.036 0.000 1.215 488 Q HN 0.591 nan 8.270 nan 0.000 0.425 489 S N 1.587 117.302 115.700 0.024 0.000 2.355 489 S HA -0.086 4.387 4.470 0.005 0.000 0.222 489 S C 0.788 175.421 174.600 0.056 0.000 1.031 489 S CA 1.195 59.420 58.200 0.042 0.000 0.993 489 S CB 0.175 63.391 63.200 0.026 0.000 0.859 489 S HN 0.398 nan 8.310 nan 0.000 0.453 490 K N 1.126 121.550 120.400 0.039 0.000 2.211 490 K HA 0.259 4.582 4.320 0.005 0.000 0.237 490 K C -0.966 175.661 176.600 0.045 0.000 1.002 490 K CA -0.535 55.779 56.287 0.044 0.000 0.885 490 K CB 0.990 33.504 32.500 0.024 0.000 1.136 490 K HN 0.037 nan 8.250 nan 0.000 0.448 491 E N 2.835 123.068 120.200 0.055 0.000 2.217 491 E HA 0.147 4.500 4.350 0.005 0.000 0.279 491 E C -0.157 176.436 176.600 -0.011 0.000 1.068 491 E CA -0.116 56.314 56.400 0.050 0.000 0.882 491 E CB 0.420 30.171 29.700 0.084 0.000 1.039 491 E HN 0.392 nan 8.360 nan 0.000 0.418 492 I N -0.915 119.619 120.570 -0.059 0.000 3.436 492 I HA 0.596 4.769 4.170 0.005 0.000 0.300 492 I C -0.007 175.981 176.117 -0.214 0.000 1.131 492 I CA -0.984 60.260 61.300 -0.093 0.000 1.001 492 I CB 1.946 39.912 38.000 -0.057 0.000 1.305 492 I HN 0.344 nan 8.210 nan 0.000 0.494 493 S N -0.919 114.673 115.700 -0.181 0.000 2.726 493 S HA 0.388 4.861 4.470 0.005 0.000 0.308 493 S C 0.761 175.281 174.600 -0.134 0.000 1.115 493 S CA 0.122 58.171 58.200 -0.252 0.000 0.965 493 S CB 1.268 64.376 63.200 -0.152 0.000 1.145 493 S HN 0.849 nan 8.310 nan 0.000 0.532 494 T N -1.988 112.502 114.554 -0.106 0.000 2.962 494 T HA -0.040 4.313 4.350 0.005 0.000 0.270 494 T C 1.540 176.268 174.700 0.045 0.000 1.088 494 T CA 1.595 63.688 62.100 -0.011 0.000 1.127 494 T CB -1.107 67.767 68.868 0.010 0.000 0.883 494 T HN 0.613 nan 8.240 nan 0.000 0.493 495 T N 1.996 116.572 114.554 0.038 0.000 2.812 495 T HA 0.211 4.564 4.350 0.005 0.000 0.264 495 T C 1.874 176.668 174.700 0.158 0.000 1.042 495 T CA 0.787 62.951 62.100 0.107 0.000 1.140 495 T CB -0.334 68.596 68.868 0.103 0.000 0.870 495 T HN 0.375 nan 8.240 nan 0.000 0.445 496 I N 1.385 121.998 120.570 0.071 0.000 2.286 496 I HA -0.169 4.004 4.170 0.005 0.000 0.248 496 I C 2.890 179.026 176.117 0.032 0.000 1.115 496 I CA 0.989 62.314 61.300 0.042 0.000 1.392 496 I CB -0.428 37.572 38.000 0.000 0.000 1.065 496 I HN 0.193 nan 8.210 nan 0.000 0.418 497 A N 0.870 123.714 122.820 0.039 0.000 1.902 497 A HA -0.270 4.053 4.320 0.005 0.000 0.217 497 A C 2.221 179.833 177.584 0.047 0.000 1.181 497 A CA 1.528 53.588 52.037 0.039 0.000 0.623 497 A CB -0.959 18.068 19.000 0.045 0.000 0.818 497 A HN 0.489 nan 8.150 nan 0.000 0.443 498 F N 1.049 120.981 119.950 -0.030 0.000 2.095 498 F HA -0.171 4.359 4.527 0.005 0.000 0.298 498 F C 2.112 177.874 175.800 -0.063 0.000 1.104 498 F CA 2.093 60.065 58.000 -0.047 0.000 1.232 498 F CB -0.597 38.369 39.000 -0.056 0.000 0.987 498 F HN 0.016 nan 8.300 nan 0.000 0.475 499 V N 1.341 121.042 119.914 -0.355 0.000 2.343 499 V HA -0.299 3.824 4.120 0.005 0.000 0.247 499 V C 2.554 178.456 176.094 -0.321 0.000 1.051 499 V CA 2.343 64.390 62.300 -0.421 0.000 1.036 499 V CB -0.808 30.955 31.823 -0.099 0.000 0.654 499 V HN 0.319 nan 8.190 nan 0.000 0.451 500 R N 0.115 120.510 120.500 -0.176 0.000 2.096 500 R HA -0.084 4.259 4.340 0.005 0.000 0.235 500 R C 2.429 178.657 176.300 -0.120 0.000 1.127 500 R CA 1.358 57.387 56.100 -0.117 0.000 0.968 500 R CB -0.548 29.723 30.300 -0.049 0.000 0.861 500 R HN 0.545 nan 8.270 nan 0.000 0.440 501 A N 1.200 123.949 122.820 -0.119 0.000 1.898 501 A HA -0.145 4.178 4.320 0.005 0.000 0.216 501 A C 2.050 179.556 177.584 -0.130 0.000 1.181 501 A CA 0.947 53.002 52.037 0.031 0.000 0.620 501 A CB -0.384 18.625 19.000 0.015 0.000 0.819 501 A HN 0.198 nan 8.150 nan 0.000 0.442 502 L N 0.474 121.420 121.223 -0.462 0.000 2.083 502 L HA -0.147 4.196 4.340 0.005 0.000 0.209 502 L C 1.824 178.496 176.870 -0.331 0.000 1.083 502 L CA 2.234 56.730 54.840 -0.573 0.000 0.752 502 L CB -1.001 40.570 42.059 -0.813 0.000 0.899 502 L HN 0.472 nan 8.230 nan 0.000 0.433 503 N N -1.597 116.949 118.700 -0.255 0.000 2.166 503 N HA -0.171 4.572 4.740 0.005 0.000 0.186 503 N C 1.794 177.193 175.510 -0.184 0.000 1.019 503 N CA 1.405 54.347 53.050 -0.179 0.000 0.856 503 N CB -0.032 38.371 38.487 -0.139 0.000 0.993 503 N HN 0.188 nan 8.380 nan 0.000 0.426 504 V N 0.952 120.729 119.914 -0.228 0.000 2.343 504 V HA -0.255 3.868 4.120 0.005 0.000 0.247 504 V C 2.055 177.962 176.094 -0.312 0.000 1.051 504 V CA 1.573 63.663 62.300 -0.350 0.000 1.036 504 V CB -0.398 31.007 31.823 -0.698 0.000 0.654 504 V HN 0.390 nan 8.190 nan 0.000 0.451 505 M N -0.870 118.596 119.600 -0.224 0.000 2.159 505 M HA -0.126 4.357 4.480 0.005 0.000 0.263 505 M C 1.990 178.228 176.300 -0.105 0.000 1.063 505 M CA 1.742 56.972 55.300 -0.117 0.000 1.110 505 M CB -0.402 32.158 32.600 -0.066 0.000 1.374 505 M HN 0.246 nan 8.290 nan 0.000 0.411 506 L N -0.148 121.000 121.223 -0.126 0.000 2.633 506 L HA -0.137 4.206 4.340 0.005 0.000 0.235 506 L C 1.801 178.624 176.870 -0.078 0.000 1.163 506 L CA 0.831 55.618 54.840 -0.089 0.000 0.859 506 L CB -0.340 41.666 42.059 -0.090 0.000 0.973 506 L HN 0.273 nan 8.230 nan 0.000 0.451 507 K N -0.901 119.440 120.400 -0.100 0.000 2.354 507 K HA 0.057 4.380 4.320 0.005 0.000 0.194 507 K C 0.697 177.253 176.600 -0.074 0.000 1.038 507 K CA -0.189 56.046 56.287 -0.088 0.000 1.052 507 K CB 0.250 32.683 32.500 -0.111 0.000 0.861 507 K HN 0.145 nan 8.250 nan 0.000 0.535 508 N N 2.062 120.719 118.700 -0.072 0.000 2.420 508 N HA -0.015 4.728 4.740 0.005 0.000 0.262 508 N C 0.465 175.960 175.510 -0.026 0.000 1.144 508 N CA 0.110 53.133 53.050 -0.044 0.000 0.952 508 N CB 0.783 39.253 38.487 -0.027 0.000 1.081 508 N HN -0.084 nan 8.380 nan 0.000 0.480 509 K N 1.783 122.171 120.400 -0.020 0.000 2.103 509 K HA -0.127 4.196 4.320 0.005 0.000 0.207 509 K C 1.658 178.254 176.600 -0.006 0.000 1.048 509 K CA 0.887 57.166 56.287 -0.013 0.000 0.930 509 K CB -0.576 31.919 32.500 -0.010 0.000 0.716 509 K HN 0.488 nan 8.250 nan 0.000 0.444 510 S N 1.056 116.758 115.700 0.003 0.000 2.383 510 S HA -0.059 4.414 4.470 0.005 0.000 0.227 510 S C 1.756 176.357 174.600 0.002 0.000 1.026 510 S CA 1.148 59.354 58.200 0.011 0.000 0.981 510 S CB 0.001 63.218 63.200 0.029 0.000 0.818 510 S HN 0.452 nan 8.310 nan 0.000 0.472 511 I N -1.597 118.974 120.570 0.002 0.000 4.240 511 I HA 0.320 4.493 4.170 0.005 0.000 0.331 511 I C 1.539 177.654 176.117 -0.003 0.000 1.381 511 I CA -0.205 61.091 61.300 -0.006 0.000 1.136 511 I CB -0.070 37.934 38.000 0.006 0.000 1.137 511 I HN 0.097 nan 8.210 nan 0.000 0.411 512 K N 1.231 121.625 120.400 -0.010 0.000 2.044 512 K HA -0.188 4.135 4.320 0.005 0.000 0.210 512 K C 0.860 177.459 176.600 -0.002 0.000 1.049 512 K CA 2.238 58.517 56.287 -0.014 0.000 0.927 512 K CB -0.500 31.986 32.500 -0.024 0.000 0.713 512 K HN 0.318 nan 8.250 nan 0.000 0.443 513 D N 0.071 120.466 120.400 -0.008 0.000 2.349 513 D HA 0.013 4.656 4.640 0.005 0.000 0.215 513 D C 1.473 177.775 176.300 0.003 0.000 1.016 513 D CA 0.266 54.260 54.000 -0.009 0.000 0.870 513 D CB 0.254 41.035 40.800 -0.032 0.000 0.917 513 D HN 0.205 nan 8.370 nan 0.000 0.524 514 R N 0.205 120.708 120.500 0.006 0.000 2.297 514 R HA 0.187 4.530 4.340 0.005 0.000 0.197 514 R C 0.798 177.138 176.300 0.065 0.000 0.943 514 R CA -0.099 56.007 56.100 0.010 0.000 1.038 514 R CB 0.074 30.340 30.300 -0.057 0.000 0.957 514 R HN 0.205 nan 8.270 nan 0.000 0.484 515 L N 1.262 122.542 121.223 0.095 0.000 2.380 515 L HA 0.169 4.512 4.340 0.005 0.000 0.273 515 L C 0.074 177.085 176.870 0.235 0.000 1.138 515 L CA -0.263 54.685 54.840 0.180 0.000 0.832 515 L CB 1.117 43.253 42.059 0.128 0.000 1.124 515 L HN -0.280 nan 8.230 nan 0.000 0.454 516 V N 3.986 124.087 119.914 0.311 0.000 2.320 516 V HA 0.250 4.373 4.120 0.005 0.000 0.268 516 V C -2.324 173.968 176.094 0.331 0.000 1.021 516 V CA -1.477 60.999 62.300 0.294 0.000 0.813 516 V CB 1.170 33.144 31.823 0.252 0.000 1.054 516 V HN 0.596 nan 8.190 nan 0.000 0.444 517 P HA 0.411 nan 4.420 nan 0.000 0.276 517 P C -0.554 176.917 177.300 0.285 0.000 1.243 517 P CA 0.191 63.485 63.100 0.324 0.000 0.768 517 P CB 0.745 32.582 31.700 0.228 0.000 0.856 518 I N 4.683 125.465 120.570 0.354 0.000 2.545 518 I HA 0.514 4.687 4.170 0.005 0.000 0.292 518 I C 0.202 176.566 176.117 0.410 0.000 1.040 518 I CA -0.974 60.498 61.300 0.287 0.000 1.068 518 I CB 1.661 39.772 38.000 0.185 0.000 1.251 518 I HN 0.236 nan 8.210 nan 0.000 0.424 519 I N 1.884 122.658 120.570 0.340 0.000 2.730 519 I HA 0.830 5.003 4.170 0.005 0.000 0.298 519 I C -0.417 175.937 176.117 0.395 0.000 1.089 519 I CA -0.879 60.675 61.300 0.423 0.000 1.041 519 I CB 2.334 40.573 38.000 0.399 0.000 1.235 519 I HN 0.563 nan 8.210 nan 0.000 0.423 520 A N 3.497 126.616 122.820 0.498 0.000 2.880 520 A HA 0.449 4.772 4.320 0.005 0.000 0.328 520 A C 0.451 178.248 177.584 0.356 0.000 1.440 520 A CA 0.305 52.586 52.037 0.407 0.000 1.068 520 A CB -0.436 18.861 19.000 0.495 0.000 1.163 520 A HN 1.067 nan 8.150 nan 0.000 0.510 521 D N 0.745 121.311 120.400 0.275 0.000 4.495 521 D HA -0.262 4.381 4.640 0.005 0.000 0.232 521 D C 0.279 176.747 176.300 0.279 0.000 0.952 521 D CA 2.502 56.644 54.000 0.237 0.000 2.071 521 D CB -1.083 39.824 40.800 0.179 0.000 1.145 521 D HN 0.578 nan 8.370 nan 0.000 0.411 522 E N 0.143 120.533 120.200 0.317 0.000 2.603 522 E HA 0.406 4.759 4.350 0.005 0.000 0.242 522 E C 0.524 177.307 176.600 0.304 0.000 1.083 522 E CA 0.819 57.377 56.400 0.265 0.000 0.950 522 E CB 0.380 30.272 29.700 0.320 0.000 0.952 522 E HN 0.426 nan 8.360 nan 0.000 0.498 523 A N 4.255 127.220 122.820 0.241 0.000 2.026 523 A HA 0.080 4.403 4.320 0.005 0.000 0.198 523 A C 1.908 179.544 177.584 0.086 0.000 1.390 523 A CA 0.287 52.505 52.037 0.303 0.000 0.915 523 A CB 0.100 19.389 19.000 0.481 0.000 0.974 523 A HN 0.499 nan 8.150 nan 0.000 0.477 524 R N 0.082 120.574 120.500 -0.012 0.000 2.115 524 R HA -0.092 4.251 4.340 0.005 0.000 0.230 524 R C 1.452 177.679 176.300 -0.122 0.000 1.111 524 R CA 1.951 58.000 56.100 -0.085 0.000 0.976 524 R CB -0.384 29.878 30.300 -0.064 0.000 0.870 524 R HN 0.389 nan 8.270 nan 0.000 0.445 525 T N 0.166 114.582 114.554 -0.231 0.000 3.007 525 T HA -0.063 4.290 4.350 0.005 0.000 0.270 525 T C 0.320 174.702 174.700 -0.530 0.000 1.107 525 T CA 0.886 62.726 62.100 -0.434 0.000 1.118 525 T CB -0.064 68.405 68.868 -0.664 0.000 0.889 525 T HN 0.163 nan 8.240 nan 0.000 0.506 526 F N 0.238 120.174 119.950 -0.023 0.000 2.668 526 F HA 0.451 4.981 4.527 0.005 0.000 0.301 526 F C 1.605 177.414 175.800 0.014 0.000 1.106 526 F CA -1.360 56.632 58.000 -0.014 0.000 1.289 526 F CB -0.372 38.634 39.000 0.010 0.000 1.006 526 F HN 0.132 nan 8.300 nan 0.000 0.535 527 G N 0.938 109.792 108.800 0.090 0.000 2.341 527 G HA2 -0.318 3.645 3.960 0.005 0.000 0.292 527 G HA3 -0.318 3.645 3.960 0.005 0.000 0.292 527 G C 1.004 175.928 174.900 0.040 0.000 1.021 527 G CA 0.487 45.607 45.100 0.033 0.000 0.905 527 G HN 0.214 nan 8.290 nan 0.000 0.508 528 M N -0.629 119.006 119.600 0.058 0.000 2.495 528 M HA 0.135 4.618 4.480 0.005 0.000 0.237 528 M C 1.872 178.069 176.300 -0.172 0.000 1.131 528 M CA 0.747 56.106 55.300 0.099 0.000 1.032 528 M CB -0.205 32.594 32.600 0.330 0.000 1.513 528 M HN 0.583 nan 8.290 nan 0.000 0.488 529 E N 0.797 120.730 120.200 -0.444 0.000 2.171 529 E HA -0.169 4.184 4.350 0.005 0.000 0.197 529 E C 1.962 178.367 176.600 -0.326 0.000 0.997 529 E CA 1.495 57.442 56.400 -0.754 0.000 0.810 529 E CB 0.023 29.458 29.700 -0.441 0.000 0.738 529 E HN 0.541 nan 8.360 nan 0.000 0.467 530 G N 0.899 109.628 108.800 -0.118 0.000 2.402 530 G HA2 -0.222 3.741 3.960 0.005 0.000 0.216 530 G HA3 -0.222 3.741 3.960 0.005 0.000 0.216 530 G C 1.521 176.467 174.900 0.076 0.000 1.162 530 G CA 0.600 45.691 45.100 -0.015 0.000 0.777 530 G HN 0.217 nan 8.290 nan 0.000 0.539 531 L N -0.363 120.942 121.223 0.135 0.000 2.191 531 L HA -0.016 4.327 4.340 0.005 0.000 0.212 531 L C 2.623 179.672 176.870 0.298 0.000 1.103 531 L CA 0.273 55.224 54.840 0.185 0.000 0.769 531 L CB -0.505 41.663 42.059 0.181 0.000 0.908 531 L HN 0.041 nan 8.230 nan 0.000 0.438 532 F N 0.971 120.948 119.950 0.045 0.000 2.011 532 F HA -0.258 4.272 4.527 0.005 0.000 0.296 532 F C 2.776 178.599 175.800 0.039 0.000 1.144 532 F CA 1.484 59.516 58.000 0.052 0.000 1.185 532 F CB -0.957 38.076 39.000 0.054 0.000 0.961 532 F HN -0.030 nan 8.300 nan 0.000 0.485 533 R N -0.222 120.430 120.500 0.253 0.000 2.159 533 R HA -0.207 4.136 4.340 0.005 0.000 0.237 533 R C 2.129 178.482 176.300 0.089 0.000 1.131 533 R CA 1.421 57.600 56.100 0.133 0.000 0.982 533 R CB -0.524 29.831 30.300 0.092 0.000 0.868 533 R HN 0.490 nan 8.270 nan 0.000 0.453 534 Q N 0.802 120.658 119.800 0.094 0.000 1.969 534 Q HA -0.082 4.261 4.340 0.005 0.000 0.198 534 Q C 1.946 177.975 176.000 0.048 0.000 0.978 534 Q CA 1.496 57.333 55.803 0.057 0.000 0.830 534 Q CB 0.188 28.955 28.738 0.048 0.000 0.896 534 Q HN 0.478 nan 8.270 nan 0.000 0.431 535 I N -3.639 116.967 120.570 0.060 0.000 4.018 535 I HA 0.446 4.619 4.170 0.005 0.000 0.337 535 I C 0.696 176.839 176.117 0.042 0.000 1.327 535 I CA 0.144 61.471 61.300 0.046 0.000 1.100 535 I CB 0.366 38.395 38.000 0.048 0.000 1.025 535 I HN 0.223 nan 8.210 nan 0.000 0.396 536 G N 2.585 111.407 108.800 0.036 0.000 2.846 536 G HA2 -0.193 3.770 3.960 0.005 0.000 0.660 536 G HA3 -0.193 3.770 3.960 0.005 0.000 0.660 536 G C -0.754 174.115 174.900 -0.050 0.000 1.464 536 G CA -0.406 44.694 45.100 0.001 0.000 0.891 536 G HN 0.343 nan 8.290 nan 0.000 0.552 537 I N 0.546 121.062 120.570 -0.090 0.000 2.377 537 I HA 0.289 4.462 4.170 0.005 0.000 0.293 537 I C 0.236 176.384 176.117 0.051 0.000 0.987 537 I CA -0.894 60.347 61.300 -0.098 0.000 1.185 537 I CB 1.688 39.552 38.000 -0.227 0.000 1.341 537 I HN 0.575 nan 8.210 nan 0.000 0.455 538 Y N 5.996 126.306 120.300 0.016 0.000 2.569 538 Y HA 0.142 4.695 4.550 0.005 0.000 0.332 538 Y C 0.360 176.279 175.900 0.031 0.000 1.120 538 Y CA 0.176 58.323 58.100 0.079 0.000 1.416 538 Y CB 0.531 39.117 38.460 0.210 0.000 1.210 538 Y HN 0.488 nan 8.280 nan 0.000 0.528 539 S N 9.100 124.532 115.700 -0.445 0.000 2.479 539 S HA 0.339 4.812 4.470 0.005 0.000 0.169 539 S C -2.880 171.451 174.600 -0.448 0.000 1.181 539 S CA -1.133 56.816 58.200 -0.419 0.000 1.169 539 S CB 0.223 63.307 63.200 -0.193 0.000 1.384 539 S HN 0.613 nan 8.310 nan 0.000 0.412 559 D N -0.838 119.523 120.400 -0.065 0.000 2.958 559 D HA 0.106 4.749 4.640 0.005 0.000 0.306 559 D C 0.966 177.189 176.300 -0.130 0.000 1.226 559 D CA -0.432 53.506 54.000 -0.105 0.000 1.032 559 D CB 0.068 40.822 40.800 -0.077 0.000 1.400 559 D HN 0.144 nan 8.370 nan 0.000 0.587 560 E N -0.447 119.649 120.200 -0.173 0.000 2.338 560 E HA -0.195 4.158 4.350 0.005 0.000 0.197 560 E C 1.413 178.045 176.600 0.053 0.000 1.007 560 E CA 0.790 57.076 56.400 -0.190 0.000 0.849 560 E CB -0.129 29.330 29.700 -0.401 0.000 0.774 560 E HN 0.387 nan 8.360 nan 0.000 0.506 561 K N 1.448 121.863 120.400 0.024 0.000 2.393 561 K HA 0.091 4.414 4.320 0.005 0.000 0.193 561 K C 0.792 177.436 176.600 0.073 0.000 1.026 561 K CA 0.338 56.644 56.287 0.032 0.000 1.064 561 K CB 0.181 32.677 32.500 -0.007 0.000 0.833 561 K HN 0.144 nan 8.250 nan 0.000 0.521 562 G N 1.072 109.952 108.800 0.133 0.000 2.474 562 G HA2 -0.154 3.809 3.960 0.005 0.000 0.233 562 G HA3 -0.154 3.809 3.960 0.005 0.000 0.233 562 G C 0.034 175.069 174.900 0.225 0.000 1.278 562 G CA -0.223 44.967 45.100 0.151 0.000 0.861 562 G HN 0.442 nan 8.290 nan 0.000 0.567 563 Q N 0.782 120.683 119.800 0.168 0.000 2.396 563 Q HA 0.180 4.523 4.340 0.005 0.000 0.220 563 Q C 0.858 177.012 176.000 0.256 0.000 0.900 563 Q CA -0.061 55.873 55.803 0.217 0.000 0.925 563 Q CB 0.144 28.959 28.738 0.127 0.000 1.065 563 Q HN 0.645 nan 8.270 nan 0.000 0.535 564 I N 2.151 122.813 120.570 0.154 0.000 2.395 564 I HA 0.122 4.295 4.170 0.005 0.000 0.289 564 I C -0.499 175.688 176.117 0.117 0.000 1.023 564 I CA -0.342 61.023 61.300 0.109 0.000 1.350 564 I CB 1.100 39.098 38.000 -0.003 0.000 1.409 564 I HN 0.101 nan 8.210 nan 0.000 0.507 565 L N 6.207 127.488 121.223 0.098 0.000 2.257 565 L HA 0.302 4.645 4.340 0.005 0.000 0.290 565 L C -0.185 176.749 176.870 0.108 0.000 1.044 565 L CA -0.481 54.415 54.840 0.093 0.000 0.810 565 L CB 1.046 43.106 42.059 0.003 0.000 1.193 565 L HN 0.553 nan 8.230 nan 0.000 0.425 566 Q N 3.081 122.945 119.800 0.107 0.000 2.400 566 Q HA 0.172 4.515 4.340 0.005 0.000 0.255 566 Q C -0.120 175.949 176.000 0.116 0.000 1.008 566 Q CA -0.085 55.785 55.803 0.112 0.000 0.841 566 Q CB 1.125 29.905 28.738 0.070 0.000 1.220 566 Q HN 0.412 nan 8.270 nan 0.000 0.474 567 E N 3.185 123.455 120.200 0.117 0.000 2.476 567 E HA 0.226 4.579 4.350 0.005 0.000 0.196 567 E C 0.682 177.342 176.600 0.100 0.000 1.029 567 E CA 0.436 56.897 56.400 0.102 0.000 0.896 567 E CB 0.291 30.011 29.700 0.033 0.000 1.012 567 E HN 0.929 nan 8.360 nan 0.000 0.475 568 G N 2.253 111.125 108.800 0.119 0.000 2.601 568 G HA2 -0.321 3.642 3.960 0.005 0.000 0.261 568 G HA3 -0.321 3.642 3.960 0.005 0.000 0.261 568 G C 0.255 175.216 174.900 0.100 0.000 1.289 568 G CA -0.152 45.013 45.100 0.108 0.000 0.920 568 G HN 0.285 nan 8.290 nan 0.000 0.571 569 I N 1.857 122.465 120.570 0.064 0.000 2.532 569 I HA 0.216 4.389 4.170 0.005 0.000 0.302 569 I C 0.648 176.766 176.117 0.001 0.000 1.176 569 I CA 0.498 61.812 61.300 0.024 0.000 1.975 569 I CB -0.634 37.358 38.000 -0.014 0.000 1.536 569 I HN 0.428 nan 8.210 nan 0.000 0.919 570 N N 3.034 121.743 118.700 0.015 0.000 2.884 570 N HA 0.092 4.835 4.740 0.005 0.000 0.211 570 N C 0.455 175.938 175.510 -0.045 0.000 1.442 570 N CA -0.160 52.879 53.050 -0.018 0.000 0.757 570 N CB 0.635 39.124 38.487 0.003 0.000 1.461 570 N HN 0.152 nan 8.380 nan 0.000 0.557 571 E N 0.319 120.506 120.200 -0.022 0.000 2.118 571 E HA -0.114 4.239 4.350 0.005 0.000 0.195 571 E C 1.496 178.022 176.600 -0.123 0.000 0.992 571 E CA 0.917 57.316 56.400 -0.001 0.000 0.804 571 E CB 0.116 29.820 29.700 0.007 0.000 0.741 571 E HN 0.510 nan 8.360 nan 0.000 0.458 572 L N 0.052 121.198 121.223 -0.130 0.000 2.056 572 L HA 0.016 4.359 4.340 0.005 0.000 0.207 572 L C 2.072 178.764 176.870 -0.297 0.000 1.078 572 L CA 2.147 56.892 54.840 -0.159 0.000 0.749 572 L CB -0.972 41.034 42.059 -0.089 0.000 0.901 572 L HN 0.183 nan 8.230 nan 0.000 0.433 573 G N -1.111 107.470 108.800 -0.364 0.000 2.421 573 G HA2 -0.255 3.708 3.960 0.005 0.000 0.216 573 G HA3 -0.255 3.708 3.960 0.005 0.000 0.216 573 G C 1.609 175.945 174.900 -0.941 0.000 1.171 573 G CA 0.797 45.376 45.100 -0.869 0.000 0.775 573 G HN 0.602 nan 8.290 nan 0.000 0.543 574 A N 0.831 123.316 122.820 -0.558 0.000 1.933 574 A HA 0.147 4.470 4.320 0.005 0.000 0.218 574 A C 2.689 179.820 177.584 -0.755 0.000 1.175 574 A CA 2.098 53.748 52.037 -0.644 0.000 0.628 574 A CB -1.006 17.566 19.000 -0.713 0.000 0.814 574 A HN 0.537 nan 8.150 nan 0.000 0.444 575 G N -1.119 107.332 108.800 -0.581 0.000 2.408 575 G HA2 -0.226 3.737 3.960 0.005 0.000 0.217 575 G HA3 -0.226 3.737 3.960 0.005 0.000 0.217 575 G C 1.526 176.350 174.900 -0.125 0.000 1.150 575 G CA 1.285 46.198 45.100 -0.311 0.000 0.776 575 G HN 0.524 nan 8.290 nan 0.000 0.542 576 C N 0.464 119.612 119.300 -0.254 0.000 2.450 576 C HA 0.075 4.538 4.460 0.005 0.000 0.279 576 C C 3.352 178.283 174.990 -0.097 0.000 1.335 576 C CA 1.042 59.977 59.018 -0.139 0.000 1.749 576 C CB -0.695 26.949 27.740 -0.161 0.000 1.963 576 C HN 0.395 nan 8.230 nan 0.000 0.501 577 S N -0.509 115.070 115.700 -0.203 0.000 2.368 577 S HA -0.199 4.274 4.470 0.005 0.000 0.224 577 S C 1.435 175.948 174.600 -0.144 0.000 1.029 577 S CA 1.355 59.505 58.200 -0.083 0.000 0.988 577 S CB -0.400 62.758 63.200 -0.069 0.000 0.838 577 S HN 0.833 nan 8.310 nan 0.000 0.462 578 W N 2.239 123.362 121.300 -0.293 0.000 2.335 578 W HA -0.140 4.523 4.660 0.005 0.000 0.311 578 W C 1.828 178.224 176.519 -0.205 0.000 1.213 578 W CA 1.045 58.259 57.345 -0.218 0.000 1.274 578 W CB -0.600 28.752 29.460 -0.180 0.000 1.148 578 W HN 0.252 nan 8.180 nan 0.000 0.498 579 L N 1.706 122.866 121.223 -0.105 0.000 2.046 579 L HA -0.060 4.283 4.340 0.005 0.000 0.208 579 L C 2.450 179.111 176.870 -0.348 0.000 1.077 579 L CA 2.798 57.476 54.840 -0.271 0.000 0.747 579 L CB -1.539 40.533 42.059 0.021 0.000 0.896 579 L HN 0.089 nan 8.230 nan 0.000 0.432 580 A N -0.653 121.972 122.820 -0.325 0.000 1.902 580 A HA -0.080 4.243 4.320 0.005 0.000 0.217 580 A C 2.426 179.476 177.584 -0.890 0.000 1.181 580 A CA 1.820 53.595 52.037 -0.436 0.000 0.623 580 A CB -1.086 17.698 19.000 -0.359 0.000 0.818 580 A HN 0.570 nan 8.150 nan 0.000 0.443 581 A N -0.320 121.823 122.820 -1.129 0.000 1.897 581 A HA 0.282 4.605 4.320 0.005 0.000 0.215 581 A C 2.374 179.679 177.584 -0.464 0.000 1.181 581 A CA 1.652 53.092 52.037 -0.995 0.000 0.620 581 A CB -0.853 17.792 19.000 -0.591 0.000 0.821 581 A HN 1.067 nan 8.150 nan 0.000 0.443 582 A N -0.457 122.011 122.820 -0.587 0.000 2.209 582 A HA 0.087 4.410 4.320 0.005 0.000 0.212 582 A C 1.858 179.390 177.584 -0.087 0.000 1.158 582 A CA 1.903 53.669 52.037 -0.452 0.000 0.742 582 A CB -0.736 17.602 19.000 -1.103 0.000 0.790 582 A HN 0.749 nan 8.150 nan 0.000 0.472 583 T N -5.023 109.444 114.554 -0.146 0.000 3.091 583 T HA 0.185 4.538 4.350 0.005 0.000 0.277 583 T C 1.411 175.987 174.700 -0.206 0.000 0.996 583 T CA 0.688 62.705 62.100 -0.138 0.000 0.897 583 T CB 0.099 68.882 68.868 -0.142 0.000 1.109 583 T HN 0.151 nan 8.240 nan 0.000 0.534 584 S N 1.552 117.218 115.700 -0.056 0.000 2.419 584 S HA -0.131 4.342 4.470 0.005 0.000 0.233 584 S C 1.843 176.473 174.600 0.050 0.000 1.016 584 S CA 1.262 59.494 58.200 0.053 0.000 0.974 584 S CB -0.663 62.667 63.200 0.217 0.000 0.786 584 S HN 0.825 nan 8.310 nan 0.000 0.492 585 Y N 0.599 120.961 120.300 0.103 0.000 2.333 585 Y HA 0.078 4.631 4.550 0.005 0.000 0.290 585 Y C 2.458 178.470 175.900 0.185 0.000 1.144 585 Y CA 1.370 59.563 58.100 0.155 0.000 1.228 585 Y CB -0.917 37.702 38.460 0.266 0.000 0.985 585 Y HN 0.300 nan 8.280 nan 0.000 0.542 586 S N -0.411 114.845 115.700 -0.740 0.000 2.452 586 S HA -0.054 4.419 4.470 0.005 0.000 0.225 586 S C 1.851 176.318 174.600 -0.221 0.000 1.057 586 S CA 0.983 58.874 58.200 -0.515 0.000 0.949 586 S CB -0.773 61.958 63.200 -0.782 0.000 0.836 586 S HN 0.559 nan 8.310 nan 0.000 0.518 587 T N 2.865 117.302 114.554 -0.196 0.000 2.746 587 T HA 0.034 4.387 4.350 0.005 0.000 0.267 587 T C 1.141 175.848 174.700 0.013 0.000 1.039 587 T CA 1.325 63.390 62.100 -0.059 0.000 1.142 587 T CB -0.254 68.641 68.868 0.045 0.000 0.866 587 T HN 0.449 nan 8.240 nan 0.000 0.444 588 N N 0.682 119.405 118.700 0.038 0.000 2.177 588 N HA 0.103 4.846 4.740 0.005 0.000 0.218 588 N C 0.153 175.701 175.510 0.063 0.000 1.182 588 N CA 0.002 53.087 53.050 0.059 0.000 0.882 588 N CB 0.229 38.769 38.487 0.088 0.000 1.052 588 N HN 0.248 nan 8.380 nan 0.000 0.519 589 N N 0.820 119.565 118.700 0.075 0.000 2.721 589 N HA -0.220 4.523 4.740 0.005 0.000 0.249 589 N C -1.231 174.358 175.510 0.132 0.000 1.072 589 N CA 0.291 53.422 53.050 0.136 0.000 0.710 589 N CB -1.232 37.323 38.487 0.113 0.000 0.993 589 N HN 0.296 nan 8.380 nan 0.000 0.547 590 L N 0.503 121.793 121.223 0.111 0.000 2.462 590 L HA 0.548 4.891 4.340 0.005 0.000 0.255 590 L C -2.362 174.541 176.870 0.056 0.000 1.076 590 L CA -1.661 53.219 54.840 0.067 0.000 0.920 590 L CB 1.285 43.382 42.059 0.064 0.000 1.214 590 L HN -0.027 nan 8.230 nan 0.000 0.472 591 P HA 0.105 nan 4.420 nan 0.000 0.263 591 P C -0.936 176.282 177.300 -0.138 0.000 1.195 591 P CA 0.187 63.218 63.100 -0.115 0.000 0.762 591 P CB 0.764 32.087 31.700 -0.628 0.000 0.799 592 M N 3.937 123.496 119.600 -0.068 0.000 2.602 592 M HA 0.467 4.950 4.480 0.005 0.000 0.312 592 M C 0.142 176.299 176.300 -0.239 0.000 1.181 592 M CA -0.898 54.369 55.300 -0.056 0.000 0.910 592 M CB 1.834 34.549 32.600 0.191 0.000 1.723 592 M HN 0.229 nan 8.290 nan 0.000 0.459 593 I N 4.521 124.986 120.570 -0.176 0.000 2.502 593 I HA 0.282 4.455 4.170 0.005 0.000 0.276 593 I C -2.218 173.972 176.117 0.121 0.000 1.057 593 I CA -1.549 59.656 61.300 -0.158 0.000 1.163 593 I CB 1.578 39.484 38.000 -0.158 0.000 1.288 593 I HN 0.234 nan 8.210 nan 0.000 0.479 594 P HA 0.311 nan 4.420 nan 0.000 0.284 594 P C -1.105 176.396 177.300 0.335 0.000 1.253 594 P CA -0.235 63.010 63.100 0.241 0.000 0.800 594 P CB 0.982 32.705 31.700 0.039 0.000 0.961 595 F N 2.522 122.772 119.950 0.499 0.000 2.500 595 F HA 0.263 4.793 4.527 0.005 0.000 0.349 595 F C -0.187 175.907 175.800 0.491 0.000 1.127 595 F CA -0.720 57.591 58.000 0.518 0.000 0.998 595 F CB 1.199 40.462 39.000 0.438 0.000 1.237 595 F HN 0.239 nan 8.300 nan 0.000 0.439 596 Y N 5.878 126.407 120.300 0.383 0.000 2.369 596 Y HA 0.615 5.167 4.550 0.005 0.000 0.337 596 Y C -1.115 174.862 175.900 0.128 0.000 0.961 596 Y CA -2.171 56.068 58.100 0.232 0.000 1.186 596 Y CB 0.772 39.272 38.460 0.068 0.000 1.139 596 Y HN 0.570 nan 8.280 nan 0.000 0.494 597 I N 9.265 129.855 120.570 0.034 0.000 2.412 597 I HA 0.522 4.695 4.170 0.005 0.000 0.296 597 I C -1.698 174.107 176.117 -0.520 0.000 0.987 597 I CA -0.659 60.318 61.300 -0.538 0.000 1.180 597 I CB 0.888 38.503 38.000 -0.641 0.000 1.340 597 I HN 0.684 nan 8.210 nan 0.000 0.455 598 Y N 3.851 123.750 120.300 -0.669 0.000 2.764 598 Y HA 0.438 4.991 4.550 0.005 0.000 0.331 598 Y C -1.866 174.024 175.900 -0.018 0.000 1.280 598 Y CA -1.492 56.488 58.100 -0.199 0.000 1.065 598 Y CB 0.253 38.553 38.460 -0.266 0.000 1.319 598 Y HN 0.344 nan 8.280 nan 0.000 0.453 599 Y N 2.236 122.787 120.300 0.419 0.000 2.605 599 Y HA 0.168 4.721 4.550 0.005 0.000 0.336 599 Y C 1.872 177.863 175.900 0.152 0.000 1.111 599 Y CA 0.958 59.239 58.100 0.302 0.000 1.422 599 Y CB 0.996 39.689 38.460 0.387 0.000 1.193 599 Y HN 0.805 nan 8.280 nan 0.000 0.526 600 S N 2.091 117.810 115.700 0.031 0.000 2.407 600 S HA -0.369 4.104 4.470 0.005 0.000 0.235 600 S C 1.952 176.611 174.600 0.099 0.000 1.036 600 S CA 1.648 59.896 58.200 0.081 0.000 1.013 600 S CB -0.381 62.832 63.200 0.022 0.000 0.820 600 S HN 0.826 nan 8.310 nan 0.000 0.476 601 M N 1.136 120.658 119.600 -0.131 0.000 2.213 601 M HA 0.135 4.618 4.480 0.005 0.000 0.263 601 M C 0.302 176.425 176.300 -0.295 0.000 1.062 601 M CA 1.310 56.402 55.300 -0.348 0.000 1.105 601 M CB -0.655 31.550 32.600 -0.658 0.000 1.385 601 M HN 0.316 nan 8.290 nan 0.000 0.417 602 F N -0.426 119.623 119.950 0.165 0.000 2.798 602 F HA 0.451 4.981 4.527 0.005 0.000 0.291 602 F C 1.445 177.222 175.800 -0.039 0.000 1.174 602 F CA -0.354 57.689 58.000 0.072 0.000 1.392 602 F CB -1.410 37.632 39.000 0.071 0.000 0.966 602 F HN 0.101 nan 8.300 nan 0.000 0.509 603 G N -0.196 108.663 108.800 0.098 0.000 3.226 603 G HA2 0.046 4.009 3.960 0.005 0.000 0.190 603 G HA3 0.046 4.009 3.960 0.005 0.000 0.190 603 G C 1.056 175.809 174.900 -0.245 0.000 1.988 603 G CA -0.118 44.849 45.100 -0.222 0.000 0.859 603 G HN 0.109 nan 8.290 nan 0.000 0.631 604 F N 0.921 120.780 119.950 -0.153 0.000 2.192 604 F HA -0.089 4.440 4.527 0.005 0.000 0.301 604 F C 2.893 178.677 175.800 -0.028 0.000 1.079 604 F CA 1.735 59.669 58.000 -0.110 0.000 1.303 604 F CB -0.312 38.600 39.000 -0.148 0.000 1.024 604 F HN 0.301 nan 8.300 nan 0.000 0.494 605 Q N 0.142 120.051 119.800 0.181 0.000 2.170 605 Q HA -0.223 4.120 4.340 0.005 0.000 0.203 605 Q C 2.219 178.288 176.000 0.116 0.000 0.976 605 Q CA 1.454 57.352 55.803 0.158 0.000 0.858 605 Q CB 0.039 28.890 28.738 0.187 0.000 0.907 605 Q HN 0.189 nan 8.270 nan 0.000 0.433 606 R N 0.319 120.873 120.500 0.091 0.000 2.195 606 R HA 0.138 4.481 4.340 0.005 0.000 0.197 606 R C 1.327 177.630 176.300 0.005 0.000 0.990 606 R CA 0.917 57.057 56.100 0.068 0.000 1.048 606 R CB 0.306 30.675 30.300 0.115 0.000 0.997 606 R HN 0.445 nan 8.270 nan 0.000 0.502 607 I N -3.360 117.180 120.570 -0.050 0.000 3.658 607 I HA 0.531 4.704 4.170 0.005 0.000 0.328 607 I C 0.937 177.018 176.117 -0.060 0.000 1.567 607 I CA -0.234 61.020 61.300 -0.077 0.000 1.078 607 I CB 0.910 38.819 38.000 -0.152 0.000 1.267 607 I HN 0.036 nan 8.210 nan 0.000 0.495 608 G N 1.353 110.161 108.800 0.012 0.000 2.442 608 G HA2 -0.312 3.651 3.960 0.005 0.000 0.219 608 G HA3 -0.312 3.651 3.960 0.005 0.000 0.219 608 G C 1.095 176.085 174.900 0.150 0.000 1.141 608 G CA 1.457 46.621 45.100 0.108 0.000 0.763 608 G HN 0.480 nan 8.290 nan 0.000 0.554 609 D N -0.342 120.120 120.400 0.103 0.000 2.178 609 D HA -0.081 4.562 4.640 0.005 0.000 0.201 609 D C 2.300 178.711 176.300 0.185 0.000 0.980 609 D CA 0.462 54.542 54.000 0.134 0.000 0.842 609 D CB -0.147 40.698 40.800 0.076 0.000 0.948 609 D HN 0.220 nan 8.370 nan 0.000 0.472 610 L N -0.332 120.958 121.223 0.112 0.000 2.156 610 L HA -0.029 4.314 4.340 0.005 0.000 0.208 610 L C 2.017 178.963 176.870 0.126 0.000 1.095 610 L CA 1.303 56.204 54.840 0.102 0.000 0.770 610 L CB -0.384 41.688 42.059 0.021 0.000 0.914 610 L HN 0.138 nan 8.230 nan 0.000 0.439 611 C N -1.350 118.012 119.300 0.103 0.000 2.435 611 C HA -0.156 4.307 4.460 0.005 0.000 0.279 611 C C 2.493 177.694 174.990 0.353 0.000 1.321 611 C CA 0.398 59.505 59.018 0.147 0.000 1.752 611 C CB -1.403 26.385 27.740 0.080 0.000 1.959 611 C HN 0.796 nan 8.230 nan 0.000 0.500 612 W N 1.645 123.050 121.300 0.175 0.000 2.381 612 W HA -0.084 4.579 4.660 0.005 0.000 0.301 612 W C 2.388 179.011 176.519 0.174 0.000 1.205 612 W CA 1.543 58.992 57.345 0.173 0.000 1.285 612 W CB -0.429 29.103 29.460 0.120 0.000 1.133 612 W HN 0.320 nan 8.180 nan 0.000 0.521 613 A N 0.828 123.828 122.820 0.301 0.000 1.972 613 A HA -0.063 4.260 4.320 0.005 0.000 0.219 613 A C 2.113 179.788 177.584 0.153 0.000 1.169 613 A CA 2.289 54.453 52.037 0.211 0.000 0.635 613 A CB -1.182 17.957 19.000 0.232 0.000 0.810 613 A HN 0.283 nan 8.150 nan 0.000 0.446 614 A N -0.357 122.568 122.820 0.175 0.000 1.902 614 A HA 0.113 4.436 4.320 0.005 0.000 0.217 614 A C 2.398 180.107 177.584 0.208 0.000 1.181 614 A CA 1.905 54.043 52.037 0.169 0.000 0.623 614 A CB -1.352 17.751 19.000 0.172 0.000 0.818 614 A HN 0.702 nan 8.150 nan 0.000 0.443 615 G N -0.285 108.667 108.800 0.252 0.000 2.418 615 G HA2 -0.297 3.666 3.960 0.005 0.000 0.217 615 G HA3 -0.297 3.666 3.960 0.005 0.000 0.217 615 G C 1.355 176.259 174.900 0.007 0.000 1.158 615 G CA 1.386 46.586 45.100 0.166 0.000 0.771 615 G HN 0.515 nan 8.290 nan 0.000 0.545 616 D N 0.109 120.468 120.400 -0.068 0.000 2.144 616 D HA -0.113 4.530 4.640 0.005 0.000 0.199 616 D C 2.264 178.602 176.300 0.064 0.000 0.984 616 D CA 0.917 54.901 54.000 -0.026 0.000 0.834 616 D CB -0.273 40.538 40.800 0.018 0.000 0.955 616 D HN 0.443 nan 8.370 nan 0.000 0.465 617 Q N -0.634 119.217 119.800 0.086 0.000 2.444 617 Q HA 0.003 4.346 4.340 0.005 0.000 0.206 617 Q C -0.188 175.855 176.000 0.072 0.000 0.948 617 Q CA 0.109 55.956 55.803 0.074 0.000 0.946 617 Q CB 0.142 28.934 28.738 0.090 0.000 1.027 617 Q HN 0.150 nan 8.270 nan 0.000 0.513 618 Q N -1.711 118.153 119.800 0.107 0.000 2.487 618 Q HA -0.199 4.144 4.340 0.005 0.000 0.279 618 Q C -0.637 175.487 176.000 0.206 0.000 1.228 618 Q CA 0.910 56.804 55.803 0.153 0.000 0.873 618 Q CB -2.415 26.424 28.738 0.169 0.000 1.260 618 Q HN 0.486 nan 8.270 nan 0.000 0.471 619 A N 1.162 124.077 122.820 0.158 0.000 2.511 619 A HA 0.343 4.666 4.320 0.005 0.000 0.242 619 A C 0.439 178.087 177.584 0.108 0.000 1.069 619 A CA 0.326 52.384 52.037 0.035 0.000 0.763 619 A CB 0.325 19.204 19.000 -0.202 0.000 1.001 619 A HN 0.297 nan 8.150 nan 0.000 0.498 620 R N 2.104 122.615 120.500 0.019 0.000 2.358 620 R HA 0.559 4.902 4.340 0.005 0.000 0.309 620 R C 0.251 176.566 176.300 0.026 0.000 1.026 620 R CA 0.207 56.294 56.100 -0.022 0.000 0.909 620 R CB 1.742 31.834 30.300 -0.347 0.000 1.153 620 R HN 1.017 nan 8.270 nan 0.000 0.515 621 G N 1.611 110.451 108.800 0.066 0.000 2.561 621 G HA2 0.478 4.441 3.960 0.005 0.000 0.310 621 G HA3 0.478 4.441 3.960 0.005 0.000 0.310 621 G C -1.796 173.196 174.900 0.153 0.000 1.292 621 G CA -0.581 44.579 45.100 0.100 0.000 0.811 621 G HN 0.219 nan 8.290 nan 0.000 0.482 622 F N 0.153 120.341 119.950 0.397 0.000 2.493 622 F HA 0.649 5.179 4.527 0.005 0.000 0.329 622 F C 0.065 176.021 175.800 0.260 0.000 1.126 622 F CA -0.642 57.523 58.000 0.276 0.000 0.937 622 F CB 2.276 41.205 39.000 -0.119 0.000 1.146 622 F HN 0.114 nan 8.300 nan 0.000 0.442 623 L N 5.165 126.589 121.223 0.335 0.000 2.287 623 L HA 0.515 4.858 4.340 0.005 0.000 0.287 623 L C -0.858 176.116 176.870 0.174 0.000 1.022 623 L CA -0.658 54.238 54.840 0.092 0.000 0.814 623 L CB 1.308 43.362 42.059 -0.008 0.000 1.217 623 L HN 0.428 nan 8.230 nan 0.000 0.420 624 I N 3.213 123.701 120.570 -0.136 0.000 2.359 624 I HA 0.252 4.425 4.170 0.005 0.000 0.284 624 I C 0.790 176.425 176.117 -0.804 0.000 1.018 624 I CA -0.262 60.772 61.300 -0.443 0.000 1.173 624 I CB 1.300 38.845 38.000 -0.758 0.000 1.326 624 I HN 0.594 nan 8.210 nan 0.000 0.462 625 G N 5.527 113.981 108.800 -0.577 0.000 2.639 625 G HA2 0.455 4.418 3.960 0.005 0.000 0.312 625 G HA3 0.455 4.418 3.960 0.005 0.000 0.312 625 G C 0.549 175.142 174.900 -0.512 0.000 0.911 625 G CA -0.307 44.422 45.100 -0.619 0.000 1.410 625 G HN 0.729 nan 8.290 nan 0.000 0.469 626 G N 1.322 109.724 108.800 -0.664 0.000 2.651 626 G HA2 0.452 4.415 3.960 0.005 0.000 0.260 626 G HA3 0.452 4.415 3.960 0.005 0.000 0.260 626 G C 1.006 175.849 174.900 -0.094 0.000 1.216 626 G CA 0.502 45.376 45.100 -0.377 0.000 0.913 626 G HN 1.626 nan 8.290 nan 0.000 0.535 627 T N -2.605 111.967 114.554 0.031 0.000 3.622 627 T HA -0.218 4.135 4.350 0.005 0.000 0.380 627 T C 0.619 175.328 174.700 0.014 0.000 0.764 627 T CA 0.927 63.039 62.100 0.019 0.000 1.908 627 T CB -2.602 66.255 68.868 -0.018 0.000 1.771 627 T HN 1.769 nan 8.240 nan 0.000 0.706 628 S N -0.321 115.371 115.700 -0.013 0.000 2.713 628 S HA 0.781 5.254 4.470 0.005 0.000 0.277 628 S C 0.836 175.391 174.600 -0.076 0.000 1.168 628 S CA -0.122 58.070 58.200 -0.013 0.000 0.994 628 S CB 1.467 64.700 63.200 0.054 0.000 1.054 628 S HN 2.428 nan 8.310 nan 0.000 0.555 629 G N 0.432 109.085 108.800 -0.246 0.000 3.190 629 G HA2 -0.111 3.852 3.960 0.005 0.000 0.686 629 G HA3 -0.111 3.852 3.960 0.005 0.000 0.686 629 G C -0.039 174.655 174.900 -0.343 0.000 1.033 629 G CA -0.042 44.780 45.100 -0.464 0.000 0.797 629 G HN 0.866 nan 8.290 nan 0.000 0.567 630 R N 0.744 120.971 120.500 -0.455 0.000 2.091 630 R HA -0.083 4.260 4.340 0.005 0.000 0.238 630 R C 2.965 179.148 176.300 -0.196 0.000 1.136 630 R CA 3.273 59.160 56.100 -0.354 0.000 0.959 630 R CB -0.342 29.592 30.300 -0.610 0.000 0.856 630 R HN 1.095 nan 8.270 nan 0.000 0.437 631 T N -4.138 110.317 114.554 -0.165 0.000 3.065 631 T HA 0.087 4.440 4.350 0.005 0.000 0.252 631 T C 1.472 176.177 174.700 0.008 0.000 1.099 631 T CA 0.829 62.923 62.100 -0.010 0.000 1.063 631 T CB 0.135 69.016 68.868 0.022 0.000 0.948 631 T HN 0.137 nan 8.240 nan 0.000 0.506 632 T N 2.132 116.673 114.554 -0.022 0.000 2.851 632 T HA 0.174 4.527 4.350 0.005 0.000 0.262 632 T C 0.823 175.543 174.700 0.033 0.000 1.043 632 T CA 0.326 62.438 62.100 0.021 0.000 1.140 632 T CB -0.288 68.591 68.868 0.020 0.000 0.872 632 T HN 0.255 nan 8.240 nan 0.000 0.446 633 L N 4.533 125.772 121.223 0.027 0.000 2.727 633 L HA 0.280 4.623 4.340 0.005 0.000 0.237 633 L C 1.500 178.400 176.870 0.049 0.000 1.370 633 L CA -0.542 54.328 54.840 0.051 0.000 1.248 633 L CB -0.951 41.158 42.059 0.085 0.000 1.556 633 L HN 0.165 nan 8.230 nan 0.000 0.420 634 N N -0.138 118.590 118.700 0.046 0.000 2.137 634 N HA -0.206 4.537 4.740 0.005 0.000 0.190 634 N C 1.371 176.903 175.510 0.037 0.000 1.017 634 N CA 1.553 54.634 53.050 0.051 0.000 0.859 634 N CB -0.340 38.178 38.487 0.052 0.000 1.002 634 N HN 0.506 nan 8.380 nan 0.000 0.428 635 G N 0.408 109.219 108.800 0.019 0.000 2.551 635 G HA2 -0.086 3.877 3.960 0.005 0.000 0.216 635 G HA3 -0.086 3.877 3.960 0.005 0.000 0.216 635 G C 1.449 176.331 174.900 -0.030 0.000 1.137 635 G CA -0.017 45.082 45.100 -0.002 0.000 0.798 635 G HN 0.214 nan 8.290 nan 0.000 0.536 636 E N 0.576 120.745 120.200 -0.051 0.000 2.204 636 E HA 0.133 4.486 4.350 0.005 0.000 0.194 636 E C 1.766 178.322 176.600 -0.072 0.000 0.989 636 E CA 0.758 57.060 56.400 -0.164 0.000 0.824 636 E CB -0.207 29.331 29.700 -0.270 0.000 0.756 636 E HN 0.446 nan 8.360 nan 0.000 0.477 637 G N 0.678 109.500 108.800 0.037 0.000 2.615 637 G HA2 -0.312 3.651 3.960 0.005 0.000 0.218 637 G HA3 -0.312 3.651 3.960 0.005 0.000 0.218 637 G C 0.589 175.591 174.900 0.170 0.000 1.339 637 G CA -0.084 45.072 45.100 0.093 0.000 0.884 637 G HN 0.281 nan 8.290 nan 0.000 0.559 638 L N -0.191 121.133 121.223 0.168 0.000 2.021 638 L HA -0.130 4.213 4.340 0.005 0.000 0.215 638 L C 2.659 179.669 176.870 0.234 0.000 1.074 638 L CA 2.902 57.866 54.840 0.208 0.000 0.760 638 L CB -0.190 41.936 42.059 0.112 0.000 0.889 638 L HN 0.704 nan 8.230 nan 0.000 0.433 639 Q N -2.200 117.743 119.800 0.237 0.000 2.320 639 Q HA -0.030 4.313 4.340 0.005 0.000 0.201 639 Q C 0.760 176.779 176.000 0.032 0.000 0.910 639 Q CA 0.121 56.031 55.803 0.179 0.000 0.946 639 Q CB 0.361 29.196 28.738 0.163 0.000 1.062 639 Q HN 0.638 nan 8.270 nan 0.000 0.503 640 H N -0.767 118.324 119.070 0.034 0.000 2.926 640 H HA 0.168 4.727 4.556 0.005 0.000 0.249 640 H C -0.230 175.064 175.328 -0.057 0.000 0.963 640 H CA -0.150 55.861 56.048 -0.061 0.000 1.158 640 H CB 0.748 30.528 29.762 0.029 0.000 1.445 640 H HN 0.055 nan 8.280 nan 0.000 0.452 641 E N 2.268 122.546 120.200 0.131 0.000 2.159 641 E HA 0.023 4.376 4.350 0.005 0.000 0.272 641 E C -0.668 175.911 176.600 -0.035 0.000 1.138 641 E CA -0.160 56.266 56.400 0.044 0.000 0.915 641 E CB 0.351 30.091 29.700 0.067 0.000 1.028 641 E HN 0.240 nan 8.360 nan 0.000 0.423 642 D N 2.542 122.872 120.400 -0.116 0.000 2.380 642 D HA 0.186 4.829 4.640 0.005 0.000 0.230 642 D C 0.403 176.537 176.300 -0.277 0.000 1.154 642 D CA -0.511 53.355 54.000 -0.223 0.000 0.859 642 D CB 0.831 41.517 40.800 -0.191 0.000 1.045 642 D HN 0.444 nan 8.370 nan 0.000 0.495 643 G N 2.943 111.611 108.800 -0.221 0.000 3.863 643 G HA2 0.029 3.992 3.960 0.005 0.000 0.290 643 G HA3 0.029 3.992 3.960 0.005 0.000 0.290 643 G C 0.518 175.534 174.900 0.192 0.000 1.018 643 G CA -0.374 44.598 45.100 -0.213 0.000 0.824 643 G HN 0.714 nan 8.290 nan 0.000 0.507 644 H N -2.013 117.158 119.070 0.168 0.000 3.726 644 H HA 0.059 4.618 4.556 0.005 0.000 0.262 644 H C 1.719 177.050 175.328 0.004 0.000 1.181 644 H CA 0.730 56.827 56.048 0.080 0.000 1.143 644 H CB -0.416 29.344 29.762 -0.004 0.000 1.627 644 H HN 0.223 nan 8.280 nan 0.000 0.750 645 S N 0.877 116.459 115.700 -0.196 0.000 2.402 645 S HA -0.238 4.235 4.470 0.005 0.000 0.233 645 S C 1.605 176.011 174.600 -0.323 0.000 1.030 645 S CA 1.344 59.443 58.200 -0.169 0.000 1.003 645 S CB -0.837 62.357 63.200 -0.009 0.000 0.813 645 S HN 0.474 nan 8.310 nan 0.000 0.477 646 H N 0.943 119.804 119.070 -0.348 0.000 2.457 646 H HA 0.140 4.699 4.556 0.005 0.000 0.294 646 H C 1.927 177.094 175.328 -0.267 0.000 1.064 646 H CA 1.240 57.025 56.048 -0.438 0.000 1.330 646 H CB -0.071 29.033 29.762 -1.097 0.000 1.395 646 H HN 0.393 nan 8.280 nan 0.000 0.541 647 I N 0.722 121.244 120.570 -0.079 0.000 2.439 647 I HA -0.173 4.000 4.170 0.005 0.000 0.251 647 I C 2.076 178.154 176.117 -0.065 0.000 1.139 647 I CA 0.944 62.241 61.300 -0.004 0.000 1.438 647 I CB -0.760 37.266 38.000 0.045 0.000 1.085 647 I HN 0.251 nan 8.210 nan 0.000 0.427 648 Q N 0.556 120.275 119.800 -0.136 0.000 2.096 648 Q HA -0.117 4.226 4.340 0.005 0.000 0.197 648 Q C 2.375 178.132 176.000 -0.405 0.000 0.964 648 Q CA 1.909 57.606 55.803 -0.177 0.000 0.838 648 Q CB -0.159 28.527 28.738 -0.087 0.000 0.906 648 Q HN 0.561 nan 8.270 nan 0.000 0.444 649 S N 1.269 116.474 115.700 -0.825 0.000 2.423 649 S HA -0.126 4.347 4.470 0.005 0.000 0.231 649 S C 1.941 176.337 174.600 -0.340 0.000 1.014 649 S CA 1.057 58.650 58.200 -1.012 0.000 0.965 649 S CB -0.453 62.002 63.200 -1.242 0.000 0.785 649 S HN 0.415 nan 8.310 nan 0.000 0.495 650 L N 1.859 122.980 121.223 -0.170 0.000 2.551 650 L HA 0.208 4.551 4.340 0.005 0.000 0.228 650 L C 2.076 178.935 176.870 -0.018 0.000 1.153 650 L CA 1.429 56.235 54.840 -0.056 0.000 0.851 650 L CB -2.005 40.061 42.059 0.012 0.000 0.959 650 L HN 0.459 nan 8.230 nan 0.000 0.451 651 T N -2.736 111.819 114.554 0.001 0.000 3.088 651 T HA 0.229 4.582 4.350 0.005 0.000 0.259 651 T C 0.819 175.665 174.700 0.243 0.000 1.122 651 T CA 0.177 62.341 62.100 0.107 0.000 1.095 651 T CB -0.611 68.320 68.868 0.106 0.000 0.930 651 T HN 0.317 nan 8.240 nan 0.000 0.508 652 I N 2.721 123.378 120.570 0.145 0.000 2.297 652 I HA 0.273 4.446 4.170 0.005 0.000 0.291 652 I C -1.582 174.489 176.117 -0.076 0.000 1.033 652 I CA -2.693 58.661 61.300 0.091 0.000 1.253 652 I CB 1.791 39.855 38.000 0.108 0.000 1.396 652 I HN -0.082 nan 8.210 nan 0.000 0.476 653 P HA -0.210 nan 4.420 nan 0.000 0.216 653 P C 0.576 177.777 177.300 -0.165 0.000 1.167 653 P CA 1.548 64.578 63.100 -0.118 0.000 0.914 653 P CB -0.066 31.555 31.700 -0.132 0.000 0.793 654 N N -1.641 116.931 118.700 -0.213 0.000 2.346 654 N HA 0.020 4.763 4.740 0.005 0.000 0.225 654 N C -0.693 174.571 175.510 -0.409 0.000 1.144 654 N CA -0.267 52.648 53.050 -0.226 0.000 0.837 654 N CB -1.216 37.189 38.487 -0.137 0.000 1.069 654 N HN 0.088 nan 8.380 nan 0.000 0.487 655 C N 1.585 120.597 119.300 -0.479 0.000 2.281 655 C HA 0.565 5.028 4.460 0.005 0.000 0.325 655 C C -0.581 174.202 174.990 -0.345 0.000 1.282 655 C CA -1.042 57.591 59.018 -0.641 0.000 1.640 655 C CB -0.763 26.633 27.740 -0.573 0.000 2.288 655 C HN 0.329 nan 8.230 nan 0.000 0.507 656 I N 6.259 126.615 120.570 -0.356 0.000 2.312 656 I HA 0.334 4.507 4.170 0.005 0.000 0.290 656 I C 0.517 176.450 176.117 -0.307 0.000 1.008 656 I CA 0.257 61.294 61.300 -0.438 0.000 1.226 656 I CB 0.912 38.446 38.000 -0.776 0.000 1.371 656 I HN 0.654 nan 8.210 nan 0.000 0.468 657 S N 6.444 121.999 115.700 -0.243 0.000 2.509 657 S HA 0.742 5.215 4.470 0.005 0.000 0.297 657 S C -0.947 173.513 174.600 -0.233 0.000 1.118 657 S CA -0.439 57.757 58.200 -0.006 0.000 1.074 657 S CB 1.399 64.742 63.200 0.238 0.000 1.038 657 S HN 0.378 nan 8.310 nan 0.000 0.498 658 Y N 0.485 120.854 120.300 0.115 0.000 2.524 658 Y HA 0.417 4.970 4.550 0.005 0.000 0.347 658 Y C -0.442 175.485 175.900 0.044 0.000 1.005 658 Y CA -0.957 57.173 58.100 0.050 0.000 1.025 658 Y CB 1.898 40.396 38.460 0.064 0.000 1.275 658 Y HN 0.622 nan 8.280 nan 0.000 0.460 659 D N 3.582 124.075 120.400 0.154 0.000 2.656 659 D HA 0.265 4.908 4.640 0.005 0.000 0.303 659 D C -2.927 173.445 176.300 0.121 0.000 1.199 659 D CA -2.022 52.050 54.000 0.120 0.000 0.797 659 D CB 0.858 41.661 40.800 0.005 0.000 1.170 659 D HN 0.049 nan 8.370 nan 0.000 0.509 660 P HA 0.160 nan 4.420 nan 0.000 0.271 660 P C 0.138 177.433 177.300 -0.009 0.000 1.218 660 P CA -0.177 62.951 63.100 0.046 0.000 0.780 660 P CB 2.027 33.751 31.700 0.040 0.000 0.901 661 A N 2.464 125.198 122.820 -0.145 0.000 2.063 661 A HA 0.162 4.485 4.320 0.005 0.000 0.211 661 A C 0.234 177.656 177.584 -0.271 0.000 1.177 661 A CA 0.866 52.735 52.037 -0.280 0.000 0.759 661 A CB -0.331 18.288 19.000 -0.635 0.000 0.857 661 A HN 0.531 nan 8.150 nan 0.000 0.468 662 Y N -2.523 117.739 120.300 -0.064 0.000 2.549 662 Y HA 0.610 5.163 4.550 0.005 0.000 0.339 662 Y C 1.391 177.148 175.900 -0.238 0.000 1.053 662 Y CA -1.157 56.826 58.100 -0.195 0.000 1.105 662 Y CB 1.314 39.432 38.460 -0.571 0.000 1.258 662 Y HN 0.039 nan 8.280 nan 0.000 0.478 663 A N 1.185 124.030 122.820 0.042 0.000 1.940 663 A HA -0.235 4.088 4.320 0.005 0.000 0.219 663 A C 1.746 179.358 177.584 0.047 0.000 1.176 663 A CA 2.164 54.221 52.037 0.033 0.000 0.631 663 A CB -1.313 17.719 19.000 0.053 0.000 0.814 663 A HN 0.895 nan 8.150 nan 0.000 0.446 664 Y N -0.369 119.994 120.300 0.105 0.000 2.352 664 Y HA 0.055 4.608 4.550 0.005 0.000 0.292 664 Y C 1.715 177.642 175.900 0.046 0.000 1.136 664 Y CA 1.027 59.159 58.100 0.053 0.000 1.227 664 Y CB -0.769 37.705 38.460 0.023 0.000 0.991 664 Y HN 0.407 nan 8.280 nan 0.000 0.545 665 E N 0.684 120.824 120.200 -0.099 0.000 2.107 665 E HA -0.085 4.268 4.350 0.005 0.000 0.191 665 E C 2.232 178.826 176.600 -0.010 0.000 0.982 665 E CA 1.223 57.625 56.400 0.002 0.000 0.809 665 E CB -0.133 29.543 29.700 -0.039 0.000 0.756 665 E HN 0.387 nan 8.360 nan 0.000 0.459 666 V N 1.581 121.490 119.914 -0.008 0.000 2.407 666 V HA -0.278 3.845 4.120 0.005 0.000 0.248 666 V C 2.322 178.400 176.094 -0.028 0.000 1.055 666 V CA 1.868 64.174 62.300 0.010 0.000 1.049 666 V CB -0.695 31.160 31.823 0.053 0.000 0.662 666 V HN 0.310 nan 8.190 nan 0.000 0.455 667 A N -0.135 122.665 122.820 -0.035 0.000 1.873 667 A HA -0.142 4.181 4.320 0.005 0.000 0.215 667 A C 2.383 179.809 177.584 -0.262 0.000 1.186 667 A CA 1.997 53.936 52.037 -0.163 0.000 0.616 667 A CB -0.714 18.272 19.000 -0.024 0.000 0.823 667 A HN 0.322 nan 8.150 nan 0.000 0.442 668 V N 0.302 120.153 119.914 -0.105 0.000 2.407 668 V HA -0.264 3.859 4.120 0.005 0.000 0.248 668 V C 2.408 178.465 176.094 -0.061 0.000 1.055 668 V CA 1.987 64.245 62.300 -0.070 0.000 1.049 668 V CB -0.701 31.117 31.823 -0.009 0.000 0.662 668 V HN 0.551 nan 8.190 nan 0.000 0.455 669 I N -0.896 119.607 120.570 -0.112 0.000 2.163 669 I HA -0.278 3.895 4.170 0.005 0.000 0.240 669 I C 2.504 178.603 176.117 -0.031 0.000 1.081 669 I CA 1.807 63.008 61.300 -0.165 0.000 1.353 669 I CB -0.291 37.499 38.000 -0.349 0.000 1.054 669 I HN 0.250 nan 8.210 nan 0.000 0.407 670 M N -0.415 119.160 119.600 -0.041 0.000 2.159 670 M HA -0.248 4.235 4.480 0.005 0.000 0.263 670 M C 2.502 178.759 176.300 -0.072 0.000 1.063 670 M CA 1.640 56.930 55.300 -0.018 0.000 1.110 670 M CB -0.729 31.800 32.600 -0.117 0.000 1.374 670 M HN 0.346 nan 8.290 nan 0.000 0.411 671 H N -0.145 118.728 119.070 -0.327 0.000 2.357 671 H HA -0.183 4.376 4.556 0.005 0.000 0.301 671 H C 1.484 176.782 175.328 -0.051 0.000 1.082 671 H CA 2.168 58.060 56.048 -0.260 0.000 1.342 671 H CB -0.147 29.369 29.762 -0.411 0.000 1.389 671 H HN 0.329 nan 8.280 nan 0.000 0.511 672 D N -0.220 120.117 120.400 -0.105 0.000 2.117 672 D HA -0.074 4.568 4.640 0.005 0.000 0.197 672 D C 2.453 178.684 176.300 -0.115 0.000 0.987 672 D CA 1.534 55.489 54.000 -0.075 0.000 0.829 672 D CB -0.721 40.126 40.800 0.077 0.000 0.961 672 D HN 0.533 nan 8.370 nan 0.000 0.460 673 G N 0.201 108.874 108.800 -0.212 0.000 2.418 673 G HA2 -0.224 3.739 3.960 0.005 0.000 0.217 673 G HA3 -0.224 3.739 3.960 0.005 0.000 0.217 673 G C 1.550 176.297 174.900 -0.255 0.000 1.158 673 G CA 0.729 45.407 45.100 -0.702 0.000 0.771 673 G HN 0.321 nan 8.290 nan 0.000 0.545 674 L N 0.642 121.902 121.223 0.063 0.000 2.046 674 L HA 0.001 4.344 4.340 0.005 0.000 0.208 674 L C 2.653 179.566 176.870 0.071 0.000 1.077 674 L CA 2.341 57.299 54.840 0.197 0.000 0.747 674 L CB -0.488 41.691 42.059 0.200 0.000 0.896 674 L HN 0.318 nan 8.230 nan 0.000 0.432 675 E N -0.427 119.714 120.200 -0.097 0.000 2.072 675 E HA -0.181 4.172 4.350 0.005 0.000 0.191 675 E C 2.330 178.909 176.600 -0.034 0.000 0.985 675 E CA 1.337 57.690 56.400 -0.079 0.000 0.801 675 E CB -0.059 29.528 29.700 -0.187 0.000 0.750 675 E HN 0.394 nan 8.360 nan 0.000 0.452 676 R N -0.637 119.831 120.500 -0.053 0.000 2.075 676 R HA -0.009 4.334 4.340 0.005 0.000 0.232 676 R C 2.504 178.745 176.300 -0.097 0.000 1.126 676 R CA 1.889 57.964 56.100 -0.041 0.000 0.963 676 R CB -0.241 30.071 30.300 0.020 0.000 0.858 676 R HN 0.299 nan 8.270 nan 0.000 0.435 677 M N -1.449 118.058 119.600 -0.155 0.000 2.248 677 M HA -0.033 4.450 4.480 0.005 0.000 0.265 677 M C 0.845 176.814 176.300 -0.551 0.000 1.079 677 M CA 1.447 56.525 55.300 -0.370 0.000 1.150 677 M CB 0.239 32.575 32.600 -0.440 0.000 1.366 677 M HN 0.084 nan 8.290 nan 0.000 0.433 678 Y N -0.109 120.220 120.300 0.049 0.000 2.531 678 Y HA 0.384 4.937 4.550 0.005 0.000 0.249 678 Y C 1.343 177.387 175.900 0.241 0.000 1.168 678 Y CA -0.654 57.559 58.100 0.189 0.000 1.226 678 Y CB -0.109 38.392 38.460 0.069 0.000 1.177 678 Y HN 0.050 nan 8.280 nan 0.000 0.527 679 G N -0.158 108.747 108.800 0.175 0.000 2.531 679 G HA2 0.110 4.073 3.960 0.005 0.000 0.281 679 G HA3 0.110 4.073 3.960 0.005 0.000 0.281 679 G C 0.646 175.581 174.900 0.058 0.000 1.382 679 G CA -0.374 44.802 45.100 0.126 0.000 1.045 679 G HN 0.258 nan 8.290 nan 0.000 0.533 680 E N -0.674 119.539 120.200 0.022 0.000 2.204 680 E HA -0.143 4.210 4.350 0.005 0.000 0.195 680 E C 2.137 178.687 176.600 -0.084 0.000 0.990 680 E CA 0.881 57.259 56.400 -0.037 0.000 0.821 680 E CB 0.069 29.761 29.700 -0.014 0.000 0.750 680 E HN 0.513 nan 8.360 nan 0.000 0.477 681 K N 1.053 121.414 120.400 -0.065 0.000 2.097 681 K HA -0.167 4.156 4.320 0.005 0.000 0.206 681 K C 0.314 176.836 176.600 -0.130 0.000 1.049 681 K CA 0.880 57.119 56.287 -0.080 0.000 0.933 681 K CB 0.137 32.605 32.500 -0.054 0.000 0.717 681 K HN -0.010 nan 8.250 nan 0.000 0.442 682 Q N 1.278 120.976 119.800 -0.170 0.000 2.443 682 Q HA -0.199 4.144 4.340 0.005 0.000 0.337 682 Q C -1.025 174.848 176.000 -0.212 0.000 1.401 682 Q CA 0.607 56.255 55.803 -0.259 0.000 0.943 682 Q CB -1.395 27.124 28.738 -0.365 0.000 1.177 682 Q HN 0.464 nan 8.270 nan 0.000 0.394 683 E N 0.944 121.042 120.200 -0.171 0.000 2.338 683 E HA 0.078 4.431 4.350 0.005 0.000 0.272 683 E C -0.085 176.434 176.600 -0.134 0.000 1.029 683 E CA -0.410 55.920 56.400 -0.116 0.000 0.872 683 E CB 0.600 30.261 29.700 -0.065 0.000 1.015 683 E HN 0.190 nan 8.360 nan 0.000 0.417 684 N N 4.194 122.844 118.700 -0.084 0.000 2.807 684 N HA 0.123 4.866 4.740 0.005 0.000 0.259 684 N C -0.795 174.707 175.510 -0.013 0.000 1.149 684 N CA 0.075 53.096 53.050 -0.048 0.000 1.042 684 N CB 0.524 39.011 38.487 0.001 0.000 1.367 684 N HN 0.272 nan 8.380 nan 0.000 0.516 685 V N -0.707 119.210 119.914 0.005 0.000 3.216 685 V HA 0.708 4.831 4.120 0.005 0.000 0.302 685 V C -1.269 174.925 176.094 0.167 0.000 1.286 685 V CA -1.199 61.120 62.300 0.032 0.000 1.048 685 V CB 1.730 33.555 31.823 0.005 0.000 1.081 685 V HN 0.342 nan 8.190 nan 0.000 0.442 686 Y N -0.095 120.293 120.300 0.146 0.000 2.602 686 Y HA 0.861 5.414 4.550 0.005 0.000 0.342 686 Y C -1.290 174.794 175.900 0.306 0.000 1.029 686 Y CA -1.794 56.447 58.100 0.236 0.000 1.080 686 Y CB 1.575 40.269 38.460 0.390 0.000 1.284 686 Y HN 0.701 nan 8.280 nan 0.000 0.485 687 Y N 1.226 121.665 120.300 0.233 0.000 2.420 687 Y HA 0.457 5.010 4.550 0.005 0.000 0.334 687 Y C -1.158 175.016 175.900 0.457 0.000 1.094 687 Y CA -1.071 57.168 58.100 0.232 0.000 1.126 687 Y CB 1.831 40.338 38.460 0.079 0.000 1.217 687 Y HN 0.701 nan 8.280 nan 0.000 0.462 688 Y N 4.397 124.905 120.300 0.348 0.000 2.338 688 Y HA 0.628 5.181 4.550 0.005 0.000 0.333 688 Y C -1.579 174.492 175.900 0.285 0.000 0.968 688 Y CA -1.924 56.361 58.100 0.308 0.000 1.123 688 Y CB 0.660 39.295 38.460 0.292 0.000 1.165 688 Y HN 0.436 nan 8.280 nan 0.000 0.452 689 I N 6.174 126.664 120.570 -0.133 0.000 2.447 689 I HA 0.314 4.487 4.170 0.005 0.000 0.287 689 I C -0.456 175.399 176.117 -0.436 0.000 1.023 689 I CA -0.914 60.288 61.300 -0.163 0.000 1.083 689 I CB 2.307 40.368 38.000 0.101 0.000 1.245 689 I HN 0.643 nan 8.210 nan 0.000 0.434 690 T N 1.399 115.711 114.554 -0.402 0.000 2.845 690 T HA 0.589 4.942 4.350 0.005 0.000 0.288 690 T C 0.098 174.724 174.700 -0.124 0.000 0.980 690 T CA -0.609 61.311 62.100 -0.299 0.000 1.071 690 T CB 1.350 70.146 68.868 -0.121 0.000 0.941 690 T HN 0.693 nan 8.240 nan 0.000 0.487 691 T N 0.901 115.363 114.554 -0.154 0.000 2.916 691 T HA 0.748 5.101 4.350 0.005 0.000 0.292 691 T C -0.464 174.208 174.700 -0.046 0.000 1.064 691 T CA -1.098 60.948 62.100 -0.090 0.000 1.011 691 T CB 1.021 69.805 68.868 -0.141 0.000 1.152 691 T HN 0.583 nan 8.240 nan 0.000 0.510 692 L N 1.859 123.078 121.223 -0.007 0.000 2.313 692 L HA 0.572 4.915 4.340 0.005 0.000 0.268 692 L C 0.900 177.773 176.870 0.006 0.000 1.010 692 L CA -1.202 53.645 54.840 0.013 0.000 0.814 692 L CB 1.378 43.468 42.059 0.052 0.000 1.304 692 L HN 0.888 nan 8.230 nan 0.000 0.441 693 N N -0.326 118.383 118.700 0.014 0.000 2.238 693 N HA 0.015 4.758 4.740 0.005 0.000 0.222 693 N C -0.272 175.237 175.510 -0.003 0.000 1.133 693 N CA -0.213 52.840 53.050 0.005 0.000 0.854 693 N CB 0.521 39.008 38.487 0.000 0.000 1.041 693 N HN 0.726 nan 8.380 nan 0.000 0.510 694 E N 0.905 121.103 120.200 -0.003 0.000 2.151 694 E HA 0.227 4.580 4.350 0.005 0.000 0.275 694 E C -1.011 175.516 176.600 -0.122 0.000 0.936 694 E CA -0.658 55.753 56.400 0.019 0.000 0.777 694 E CB 0.668 30.454 29.700 0.143 0.000 1.108 694 E HN 0.065 nan 8.360 nan 0.000 0.401 695 N N 3.496 122.149 118.700 -0.079 0.000 2.499 695 N HA 0.251 4.994 4.740 0.005 0.000 0.281 695 N C -1.069 174.425 175.510 -0.026 0.000 1.098 695 N CA 0.100 53.059 53.050 -0.151 0.000 0.979 695 N CB 0.716 39.174 38.487 -0.047 0.000 1.121 695 N HN 0.429 nan 8.380 nan 0.000 0.466 696 Y N -2.577 117.771 120.300 0.079 0.000 2.750 696 Y HA 0.304 4.856 4.550 0.005 0.000 0.335 696 Y C -0.280 175.698 175.900 0.131 0.000 1.252 696 Y CA -1.235 56.927 58.100 0.104 0.000 1.064 696 Y CB 0.478 38.997 38.460 0.099 0.000 1.321 696 Y HN 0.447 nan 8.280 nan 0.000 0.451 697 H N 3.422 122.700 119.070 0.347 0.000 3.004 697 H HA 0.199 4.758 4.556 0.005 0.000 0.316 697 H C -0.890 174.606 175.328 0.281 0.000 1.014 697 H CA 0.488 56.671 56.048 0.225 0.000 1.454 697 H CB 0.703 30.547 29.762 0.138 0.000 1.472 697 H HN 0.567 nan 8.280 nan 0.000 0.571 698 M N 8.772 128.127 119.600 -0.409 0.000 2.036 698 M HA 0.238 4.721 4.480 0.005 0.000 0.337 698 M C -2.391 173.612 176.300 -0.495 0.000 1.012 698 M CA -2.227 52.913 55.300 -0.267 0.000 0.962 698 M CB 1.053 33.613 32.600 -0.066 0.000 1.423 698 M HN 0.486 nan 8.290 nan 0.000 0.405 699 P HA 0.290 nan 4.420 nan 0.000 0.275 699 P C -0.501 176.780 177.300 -0.032 0.000 1.266 699 P CA -0.369 62.611 63.100 -0.200 0.000 0.793 699 P CB 0.836 32.465 31.700 -0.118 0.000 1.074 700 A N 1.538 124.327 122.820 -0.052 0.000 2.351 700 A HA 0.351 4.674 4.320 0.005 0.000 0.257 700 A C 0.645 177.968 177.584 -0.435 0.000 1.087 700 A CA -0.622 51.339 52.037 -0.127 0.000 0.798 700 A CB -0.257 18.681 19.000 -0.103 0.000 1.033 700 A HN 0.694 nan 8.150 nan 0.000 0.488 701 M N 2.092 121.232 119.600 -0.767 0.000 2.239 701 M HA 0.232 4.715 4.480 0.005 0.000 0.348 701 M C -2.187 173.751 176.300 -0.603 0.000 1.239 701 M CA -1.286 53.202 55.300 -1.353 0.000 1.114 701 M CB 0.295 32.317 32.600 -0.964 0.000 1.641 701 M HN 0.340 nan 8.290 nan 0.000 0.453 702 P HA 0.043 nan 4.420 nan 0.000 0.271 702 P C -1.304 175.884 177.300 -0.186 0.000 1.216 702 P CA -0.118 62.860 63.100 -0.203 0.000 0.776 702 P CB 0.425 32.085 31.700 -0.067 0.000 0.881 703 E N 1.753 121.883 120.200 -0.117 0.000 2.417 703 E HA 0.203 4.556 4.350 0.005 0.000 0.261 703 E C 0.979 177.535 176.600 -0.073 0.000 1.000 703 E CA 0.726 57.071 56.400 -0.092 0.000 0.919 703 E CB -0.498 29.166 29.700 -0.060 0.000 0.955 703 E HN 0.756 nan 8.360 nan 0.000 0.455 704 G N 2.985 111.739 108.800 -0.076 0.000 2.159 704 G HA2 -0.355 3.608 3.960 0.005 0.000 0.256 704 G HA3 -0.355 3.608 3.960 0.005 0.000 0.256 704 G C 0.769 175.632 174.900 -0.061 0.000 0.977 704 G CA 0.424 45.495 45.100 -0.050 0.000 0.652 704 G HN 0.736 nan 8.290 nan 0.000 0.531 705 A N -0.127 122.612 122.820 -0.135 0.000 2.169 705 A HA 0.410 4.733 4.320 0.005 0.000 0.212 705 A C 1.844 179.303 177.584 -0.209 0.000 1.153 705 A CA 1.765 53.663 52.037 -0.233 0.000 0.756 705 A CB -0.222 18.480 19.000 -0.496 0.000 0.813 705 A HN 0.566 nan 8.150 nan 0.000 0.471 706 E N 0.259 120.381 120.200 -0.130 0.000 2.068 706 E HA -0.286 4.067 4.350 0.005 0.000 0.207 706 E C 1.895 178.478 176.600 -0.028 0.000 1.032 706 E CA 1.874 58.230 56.400 -0.073 0.000 0.839 706 E CB -0.231 29.441 29.700 -0.048 0.000 0.758 706 E HN 0.655 nan 8.360 nan 0.000 0.457 707 E N -0.068 120.133 120.200 0.001 0.000 2.110 707 E HA -0.095 4.258 4.350 0.005 0.000 0.193 707 E C 2.102 178.726 176.600 0.041 0.000 0.988 707 E CA 1.452 57.868 56.400 0.028 0.000 0.804 707 E CB -0.689 29.043 29.700 0.052 0.000 0.745 707 E HN 0.288 nan 8.360 nan 0.000 0.458 708 G N 0.616 109.475 108.800 0.098 0.000 2.418 708 G HA2 -0.236 3.727 3.960 0.005 0.000 0.217 708 G HA3 -0.236 3.727 3.960 0.005 0.000 0.217 708 G C 1.686 176.697 174.900 0.184 0.000 1.158 708 G CA 0.943 46.175 45.100 0.219 0.000 0.771 708 G HN 0.324 nan 8.290 nan 0.000 0.545 709 I N 0.163 120.780 120.570 0.079 0.000 2.208 709 I HA -0.184 3.989 4.170 0.005 0.000 0.245 709 I C 3.043 179.249 176.117 0.147 0.000 1.097 709 I CA 1.099 62.479 61.300 0.132 0.000 1.363 709 I CB -0.166 37.848 38.000 0.023 0.000 1.051 709 I HN 0.107 nan 8.210 nan 0.000 0.413 710 R N 0.460 121.010 120.500 0.083 0.000 2.092 710 R HA -0.087 4.256 4.340 0.005 0.000 0.231 710 R C 2.167 178.535 176.300 0.113 0.000 1.119 710 R CA 0.795 56.966 56.100 0.118 0.000 0.970 710 R CB -0.133 30.207 30.300 0.067 0.000 0.864 710 R HN 0.197 nan 8.270 nan 0.000 0.440 711 K N -0.864 119.488 120.400 -0.079 0.000 2.296 711 K HA 0.046 4.369 4.320 0.005 0.000 0.200 711 K C 1.321 177.786 176.600 -0.226 0.000 1.048 711 K CA 1.214 57.294 56.287 -0.345 0.000 0.966 711 K CB 0.599 32.470 32.500 -1.048 0.000 0.754 711 K HN 0.472 nan 8.250 nan 0.000 0.466 712 G N 0.953 109.740 108.800 -0.022 0.000 2.296 712 G HA2 -0.141 3.822 3.960 0.005 0.000 0.188 712 G HA3 -0.141 3.822 3.960 0.005 0.000 0.188 712 G C 0.100 175.005 174.900 0.008 0.000 1.000 712 G CA -0.078 45.008 45.100 -0.024 0.000 0.672 712 G HN 0.272 nan 8.290 nan 0.000 0.483 713 I N 0.113 120.777 120.570 0.155 0.000 2.828 713 I HA 0.608 4.781 4.170 0.005 0.000 0.295 713 I C -1.671 174.684 176.117 0.397 0.000 1.459 713 I CA -1.420 59.987 61.300 0.178 0.000 1.015 713 I CB 1.811 39.831 38.000 0.032 0.000 1.345 713 I HN 0.486 nan 8.210 nan 0.000 0.449 714 Y N 4.063 124.497 120.300 0.222 0.000 2.609 714 Y HA 0.496 5.049 4.550 0.005 0.000 0.336 714 Y C -1.519 174.538 175.900 0.262 0.000 1.129 714 Y CA -1.339 56.904 58.100 0.239 0.000 1.040 714 Y CB 0.868 39.443 38.460 0.192 0.000 1.310 714 Y HN 0.513 nan 8.280 nan 0.000 0.460 715 K N 2.725 123.262 120.400 0.229 0.000 2.312 715 K HA 0.348 4.671 4.320 0.005 0.000 0.287 715 K C -0.142 176.445 176.600 -0.021 0.000 1.062 715 K CA -0.324 55.916 56.287 -0.078 0.000 0.934 715 K CB 0.738 33.163 32.500 -0.125 0.000 1.027 715 K HN 1.012 nan 8.250 nan 0.000 0.478 716 L N 3.049 124.182 121.223 -0.150 0.000 2.068 716 L HA -0.048 4.295 4.340 0.005 0.000 0.204 716 L C 0.438 177.308 176.870 0.000 0.000 1.076 716 L CA 1.200 56.046 54.840 0.009 0.000 0.753 716 L CB 0.060 42.120 42.059 0.003 0.000 0.910 716 L HN 0.820 nan 8.230 nan 0.000 0.439 717 E N -2.859 117.288 120.200 -0.088 0.000 2.417 717 E HA 0.274 4.627 4.350 0.005 0.000 0.280 717 E C -1.285 175.249 176.600 -0.109 0.000 1.112 717 E CA -0.846 55.516 56.400 -0.064 0.000 0.863 717 E CB 1.213 30.901 29.700 -0.019 0.000 1.346 717 E HN -0.308 nan 8.360 nan 0.000 0.443 718 T N 1.255 115.769 114.554 -0.067 0.000 2.824 718 T HA 0.550 4.903 4.350 0.005 0.000 0.282 718 T C -0.496 174.189 174.700 -0.025 0.000 0.993 718 T CA -0.535 61.529 62.100 -0.059 0.000 0.967 718 T CB 0.522 69.362 68.868 -0.046 0.000 0.960 718 T HN 0.341 nan 8.240 nan 0.000 0.441 719 I N 2.693 123.255 120.570 -0.013 0.000 2.404 719 I HA 0.351 4.524 4.170 0.005 0.000 0.293 719 I C 0.314 176.439 176.117 0.012 0.000 0.992 719 I CA -1.086 60.216 61.300 0.004 0.000 1.149 719 I CB 1.595 39.603 38.000 0.014 0.000 1.315 719 I HN 0.393 nan 8.210 nan 0.000 0.446 720 E N 3.820 124.029 120.200 0.014 0.000 2.390 720 E HA 0.563 4.916 4.350 0.005 0.000 0.261 720 E C 0.065 176.681 176.600 0.026 0.000 1.076 720 E CA -0.072 56.339 56.400 0.018 0.000 0.905 720 E CB 1.532 31.241 29.700 0.014 0.000 0.984 720 E HN 0.868 nan 8.360 nan 0.000 0.427 721 G N -0.245 108.572 108.800 0.028 0.000 2.405 721 G HA2 0.173 4.136 3.960 0.005 0.000 0.312 721 G HA3 0.173 4.136 3.960 0.005 0.000 0.312 721 G C 0.046 174.966 174.900 0.034 0.000 1.579 721 G CA -0.149 44.973 45.100 0.036 0.000 0.933 721 G HN 0.354 nan 8.290 nan 0.000 0.628 722 S N 0.665 116.384 115.700 0.032 0.000 2.556 722 S HA 0.141 4.614 4.470 0.005 0.000 0.216 722 S C 1.345 175.964 174.600 0.032 0.000 0.970 722 S CA -0.006 58.211 58.200 0.028 0.000 0.912 722 S CB 0.303 63.517 63.200 0.022 0.000 0.790 722 S HN 0.500 nan 8.310 nan 0.000 0.504 723 K N 0.928 121.353 120.400 0.042 0.000 2.379 723 K HA 0.360 4.683 4.320 0.005 0.000 0.194 723 K C 0.854 177.482 176.600 0.046 0.000 1.031 723 K CA 0.406 56.721 56.287 0.046 0.000 1.037 723 K CB 0.600 33.138 32.500 0.063 0.000 0.824 723 K HN 0.496 nan 8.250 nan 0.000 0.516 724 G N 0.888 109.716 108.800 0.045 0.000 2.349 724 G HA2 0.332 4.295 3.960 0.005 0.000 0.294 724 G HA3 0.332 4.295 3.960 0.005 0.000 0.294 724 G C -2.120 172.805 174.900 0.042 0.000 1.380 724 G CA -0.744 44.380 45.100 0.041 0.000 0.811 724 G HN -0.072 nan 8.290 nan 0.000 0.519 725 K N -0.581 119.844 120.400 0.041 0.000 2.535 725 K HA 0.721 5.044 4.320 0.005 0.000 0.251 725 K C -0.615 176.016 176.600 0.052 0.000 0.942 725 K CA -0.270 56.044 56.287 0.045 0.000 0.798 725 K CB 1.872 34.396 32.500 0.041 0.000 1.267 725 K HN 1.526 nan 8.250 nan 0.000 0.434 726 V N -0.421 119.530 119.914 0.061 0.000 3.167 726 V HA 0.662 4.785 4.120 0.005 0.000 0.310 726 V C -1.305 174.854 176.094 0.108 0.000 1.207 726 V CA -0.877 61.469 62.300 0.076 0.000 1.059 726 V CB 2.050 33.913 31.823 0.065 0.000 1.079 726 V HN 0.763 nan 8.190 nan 0.000 0.446 727 Q N 1.104 120.991 119.800 0.144 0.000 2.333 727 Q HA 0.754 5.097 4.340 0.005 0.000 0.267 727 Q C -1.558 174.572 176.000 0.217 0.000 1.012 727 Q CA -0.572 55.373 55.803 0.236 0.000 0.824 727 Q CB 2.555 31.455 28.738 0.269 0.000 1.290 727 Q HN 0.710 nan 8.270 nan 0.000 0.449 728 L N 3.670 125.039 121.223 0.243 0.000 2.376 728 L HA 0.518 4.861 4.340 0.005 0.000 0.275 728 L C -1.274 175.743 176.870 0.245 0.000 0.987 728 L CA -0.825 54.128 54.840 0.189 0.000 0.828 728 L CB 1.154 43.282 42.059 0.116 0.000 1.249 728 L HN 0.336 nan 8.230 nan 0.000 0.409 729 L N 2.596 123.949 121.223 0.218 0.000 2.334 729 L HA 0.939 5.282 4.340 0.005 0.000 0.276 729 L C 0.376 177.346 176.870 0.168 0.000 1.014 729 L CA -0.115 54.849 54.840 0.206 0.000 0.815 729 L CB 1.982 44.183 42.059 0.237 0.000 1.268 729 L HN 0.617 nan 8.230 nan 0.000 0.428 730 G N 0.151 109.015 108.800 0.107 0.000 2.692 730 G HA2 0.749 4.712 3.960 0.005 0.000 0.291 730 G HA3 0.749 4.712 3.960 0.005 0.000 0.291 730 G C -1.553 173.373 174.900 0.044 0.000 1.423 730 G CA -0.188 44.972 45.100 0.101 0.000 0.843 730 G HN 0.710 nan 8.290 nan 0.000 0.486 731 S N -1.030 114.729 115.700 0.099 0.000 2.625 731 S HA 0.874 5.347 4.470 0.005 0.000 0.271 731 S C 0.742 175.404 174.600 0.103 0.000 1.161 731 S CA 0.628 58.872 58.200 0.073 0.000 0.820 731 S CB 1.290 64.579 63.200 0.149 0.000 1.137 731 S HN 2.724 nan 8.310 nan 0.000 0.470 732 G N 2.032 110.881 108.800 0.081 0.000 2.594 732 G HA2 -0.330 3.633 3.960 0.005 0.000 0.297 732 G HA3 -0.330 3.633 3.960 0.005 0.000 0.297 732 G C 1.063 175.998 174.900 0.058 0.000 1.273 732 G CA 1.499 46.664 45.100 0.108 0.000 0.974 732 G HN 2.233 nan 8.290 nan 0.000 0.552 733 S N -0.506 115.261 115.700 0.112 0.000 2.481 733 S HA 0.072 4.545 4.470 0.005 0.000 0.231 733 S C 2.142 176.800 174.600 0.096 0.000 0.996 733 S CA 1.569 59.845 58.200 0.126 0.000 0.942 733 S CB 0.036 63.345 63.200 0.182 0.000 0.768 733 S HN 0.574 nan 8.310 nan 0.000 0.520 734 I N 1.196 121.825 120.570 0.099 0.000 2.876 734 I HA 0.129 4.302 4.170 0.005 0.000 0.264 734 I C 2.105 178.282 176.117 0.100 0.000 1.204 734 I CA 0.248 61.639 61.300 0.152 0.000 1.485 734 I CB -1.305 36.749 38.000 0.090 0.000 1.103 734 I HN 0.333 nan 8.210 nan 0.000 0.446 735 L N 2.296 123.511 121.223 -0.012 0.000 2.081 735 L HA -0.213 4.130 4.340 0.005 0.000 0.212 735 L C 2.821 179.636 176.870 -0.093 0.000 1.080 735 L CA 1.898 56.698 54.840 -0.066 0.000 0.754 735 L CB -0.671 41.279 42.059 -0.182 0.000 0.893 735 L HN 0.313 nan 8.230 nan 0.000 0.433 736 R N -1.937 118.431 120.500 -0.221 0.000 2.152 736 R HA -0.178 4.165 4.340 0.005 0.000 0.232 736 R C 1.897 178.030 176.300 -0.279 0.000 1.117 736 R CA 1.741 57.667 56.100 -0.291 0.000 0.981 736 R CB -0.860 29.107 30.300 -0.554 0.000 0.870 736 R HN 0.549 nan 8.270 nan 0.000 0.451 737 H N -0.047 118.989 119.070 -0.058 0.000 2.448 737 H HA 0.057 4.615 4.556 0.005 0.000 0.292 737 H C 2.235 177.560 175.328 -0.005 0.000 1.035 737 H CA 1.316 57.352 56.048 -0.021 0.000 1.349 737 H CB 0.323 30.079 29.762 -0.010 0.000 1.425 737 H HN 0.074 nan 8.280 nan 0.000 0.539 738 V N 1.407 121.381 119.914 0.100 0.000 2.427 738 V HA -0.209 3.914 4.120 0.005 0.000 0.248 738 V C 2.450 178.574 176.094 0.050 0.000 1.051 738 V CA 1.470 63.814 62.300 0.074 0.000 1.048 738 V CB -0.313 31.553 31.823 0.072 0.000 0.666 738 V HN 0.340 nan 8.190 nan 0.000 0.456 739 R N -0.201 120.316 120.500 0.029 0.000 2.115 739 R HA -0.169 4.174 4.340 0.005 0.000 0.230 739 R C 2.333 178.648 176.300 0.025 0.000 1.111 739 R CA 1.449 57.566 56.100 0.029 0.000 0.976 739 R CB -0.282 30.039 30.300 0.034 0.000 0.870 739 R HN 0.612 nan 8.270 nan 0.000 0.445 740 E N 0.991 121.198 120.200 0.011 0.000 2.077 740 E HA -0.182 4.171 4.350 0.005 0.000 0.193 740 E C 1.932 178.558 176.600 0.042 0.000 0.989 740 E CA 1.154 57.565 56.400 0.018 0.000 0.800 740 E CB -0.005 29.700 29.700 0.009 0.000 0.746 740 E HN 0.346 nan 8.360 nan 0.000 0.452 741 A N 1.197 124.044 122.820 0.045 0.000 1.933 741 A HA -0.103 4.220 4.320 0.005 0.000 0.218 741 A C 2.371 179.996 177.584 0.069 0.000 1.175 741 A CA 1.728 53.794 52.037 0.049 0.000 0.628 741 A CB -0.665 18.358 19.000 0.039 0.000 0.814 741 A HN 0.409 nan 8.150 nan 0.000 0.444 742 A N -0.309 122.546 122.820 0.059 0.000 1.902 742 A HA -0.160 4.163 4.320 0.005 0.000 0.217 742 A C 1.953 179.578 177.584 0.067 0.000 1.181 742 A CA 1.722 53.795 52.037 0.059 0.000 0.623 742 A CB -0.384 18.640 19.000 0.042 0.000 0.818 742 A HN 0.471 nan 8.150 nan 0.000 0.443 743 E N -0.011 120.226 120.200 0.062 0.000 2.072 743 E HA -0.114 4.239 4.350 0.005 0.000 0.191 743 E C 2.028 178.682 176.600 0.090 0.000 0.985 743 E CA 0.985 57.422 56.400 0.062 0.000 0.801 743 E CB -0.432 29.296 29.700 0.047 0.000 0.750 743 E HN 0.735 nan 8.360 nan 0.000 0.452 744 I N 0.992 121.632 120.570 0.117 0.000 2.179 744 I HA -0.286 3.887 4.170 0.005 0.000 0.242 744 I C 2.545 178.816 176.117 0.257 0.000 1.088 744 I CA 0.947 62.358 61.300 0.185 0.000 1.357 744 I CB -0.350 37.787 38.000 0.227 0.000 1.051 744 I HN 0.046 nan 8.210 nan 0.000 0.409 745 L N 0.504 121.869 121.223 0.237 0.000 2.042 745 L HA -0.255 4.088 4.340 0.005 0.000 0.210 745 L C 2.789 179.791 176.870 0.221 0.000 1.076 745 L CA 1.540 56.539 54.840 0.265 0.000 0.749 745 L CB -0.640 41.503 42.059 0.141 0.000 0.893 745 L HN 0.285 nan 8.230 nan 0.000 0.432 746 A N -0.615 122.287 122.820 0.136 0.000 1.872 746 A HA -0.121 4.202 4.320 0.005 0.000 0.214 746 A C 2.256 179.882 177.584 0.069 0.000 1.187 746 A CA 1.146 53.238 52.037 0.092 0.000 0.614 746 A CB -0.173 18.864 19.000 0.062 0.000 0.826 746 A HN 0.163 nan 8.150 nan 0.000 0.442 747 K N -0.167 120.267 120.400 0.058 0.000 2.296 747 K HA -0.014 4.309 4.320 0.005 0.000 0.200 747 K C 0.456 177.032 176.600 -0.040 0.000 1.048 747 K CA 1.252 57.548 56.287 0.016 0.000 0.966 747 K CB -0.198 32.314 32.500 0.019 0.000 0.754 747 K HN 0.444 nan 8.250 nan 0.000 0.466 748 D N -1.500 118.857 120.400 -0.072 0.000 2.423 748 D HA 0.052 4.694 4.640 0.005 0.000 0.208 748 D C 0.688 176.610 176.300 -0.630 0.000 1.068 748 D CA 0.464 54.253 54.000 -0.351 0.000 0.860 748 D CB 0.303 40.841 40.800 -0.438 0.000 0.992 748 D HN 0.173 nan 8.370 nan 0.000 0.504 749 Y N -1.032 119.288 120.300 0.033 0.000 2.563 749 Y HA 0.330 4.883 4.550 0.005 0.000 0.250 749 Y C 1.582 177.496 175.900 0.024 0.000 1.126 749 Y CA -0.089 58.027 58.100 0.027 0.000 1.231 749 Y CB 1.158 39.640 38.460 0.037 0.000 1.288 749 Y HN -0.047 nan 8.280 nan 0.000 0.537 750 G N 1.167 110.040 108.800 0.122 0.000 2.179 750 G HA2 -0.272 3.691 3.960 0.005 0.000 0.257 750 G HA3 -0.272 3.691 3.960 0.005 0.000 0.257 750 G C -0.263 174.693 174.900 0.095 0.000 1.010 750 G CA 0.369 45.520 45.100 0.084 0.000 0.736 750 G HN 0.134 nan 8.290 nan 0.000 0.513 751 V N 0.882 120.872 119.914 0.126 0.000 2.385 751 V HA 0.664 4.786 4.120 0.005 0.000 0.269 751 V C 1.275 177.414 176.094 0.076 0.000 1.043 751 V CA 0.054 62.412 62.300 0.097 0.000 0.906 751 V CB 1.172 33.056 31.823 0.102 0.000 0.995 751 V HN 0.629 nan 8.190 nan 0.000 0.467 752 G N 3.763 112.597 108.800 0.057 0.000 2.562 752 G HA2 0.671 4.634 3.960 0.005 0.000 0.275 752 G HA3 0.671 4.634 3.960 0.005 0.000 0.275 752 G C -0.229 174.697 174.900 0.044 0.000 1.196 752 G CA 0.203 45.330 45.100 0.045 0.000 0.908 752 G HN 1.052 nan 8.290 nan 0.000 0.524 753 S N -0.733 114.986 115.700 0.032 0.000 2.595 753 S HA 0.459 4.932 4.470 0.005 0.000 0.270 753 S C -2.079 172.518 174.600 -0.006 0.000 1.145 753 S CA -1.031 57.188 58.200 0.032 0.000 0.825 753 S CB 2.236 65.463 63.200 0.045 0.000 1.107 753 S HN 0.426 nan 8.310 nan 0.000 0.461 754 D N 1.140 121.531 120.400 -0.014 0.000 2.256 754 D HA 0.585 5.228 4.640 0.005 0.000 0.240 754 D C -0.659 175.493 176.300 -0.247 0.000 1.062 754 D CA -0.222 53.675 54.000 -0.172 0.000 0.832 754 D CB 1.948 42.657 40.800 -0.152 0.000 1.135 754 D HN 0.453 nan 8.370 nan 0.000 0.484 755 V N 2.951 122.655 119.914 -0.351 0.000 2.459 755 V HA 0.395 4.518 4.120 0.005 0.000 0.295 755 V C -0.845 175.000 176.094 -0.414 0.000 1.029 755 V CA -0.711 61.461 62.300 -0.215 0.000 0.874 755 V CB 0.827 32.603 31.823 -0.079 0.000 0.985 755 V HN 0.368 nan 8.190 nan 0.000 0.438 756 Y N 1.400 121.663 120.300 -0.062 0.000 2.446 756 Y HA 0.577 5.130 4.550 0.005 0.000 0.345 756 Y C 0.426 176.191 175.900 -0.225 0.000 0.984 756 Y CA -0.764 57.242 58.100 -0.157 0.000 1.058 756 Y CB 2.167 40.556 38.460 -0.117 0.000 1.220 756 Y HN 0.543 nan 8.280 nan 0.000 0.455 757 S N 1.919 117.441 115.700 -0.296 0.000 2.438 757 S HA 0.563 5.036 4.470 0.005 0.000 0.293 757 S C -1.071 173.380 174.600 -0.249 0.000 1.141 757 S CA -0.550 57.471 58.200 -0.298 0.000 1.080 757 S CB 0.107 63.058 63.200 -0.414 0.000 0.978 757 S HN 0.454 nan 8.310 nan 0.000 0.479 758 V N 6.335 126.117 119.914 -0.221 0.000 2.304 758 V HA 0.227 4.350 4.120 0.005 0.000 0.269 758 V C 1.505 177.456 176.094 -0.238 0.000 1.036 758 V CA -0.151 61.931 62.300 -0.363 0.000 0.840 758 V CB 0.475 31.760 31.823 -0.897 0.000 1.036 758 V HN 1.083 nan 8.190 nan 0.000 0.466 759 T N -0.031 114.489 114.554 -0.056 0.000 3.023 759 T HA 0.027 4.380 4.350 0.005 0.000 0.266 759 T C 0.849 175.585 174.700 0.059 0.000 1.093 759 T CA 0.735 62.894 62.100 0.097 0.000 1.129 759 T CB 0.243 69.278 68.868 0.277 0.000 0.899 759 T HN 0.550 nan 8.240 nan 0.000 0.491 760 S N -0.402 115.210 115.700 -0.146 0.000 2.511 760 S HA 0.459 4.932 4.470 0.005 0.000 0.233 760 S C -0.283 174.119 174.600 -0.330 0.000 1.104 760 S CA -0.812 57.225 58.200 -0.273 0.000 1.129 760 S CB -0.245 62.650 63.200 -0.509 0.000 1.159 760 S HN 0.159 nan 8.310 nan 0.000 0.451 761 F N 2.427 122.131 119.950 -0.411 0.000 2.186 761 F HA -0.018 4.512 4.527 0.005 0.000 0.299 761 F C 2.636 178.240 175.800 -0.327 0.000 1.090 761 F CA 1.638 59.354 58.000 -0.474 0.000 1.307 761 F CB -0.445 37.980 39.000 -0.959 0.000 1.019 761 F HN 0.495 nan 8.300 nan 0.000 0.489 762 T N -0.849 113.652 114.554 -0.089 0.000 2.777 762 T HA -0.147 4.206 4.350 0.005 0.000 0.266 762 T C 1.839 176.464 174.700 -0.125 0.000 1.040 762 T CA 1.329 63.393 62.100 -0.060 0.000 1.141 762 T CB -0.153 68.710 68.868 -0.009 0.000 0.868 762 T HN 0.111 nan 8.240 nan 0.000 0.444 763 E N 1.014 121.085 120.200 -0.214 0.000 2.150 763 E HA 0.042 4.395 4.350 0.005 0.000 0.193 763 E C 2.253 178.747 176.600 -0.176 0.000 0.985 763 E CA 0.553 56.817 56.400 -0.227 0.000 0.814 763 E CB -0.321 29.190 29.700 -0.315 0.000 0.752 763 E HN 0.477 nan 8.360 nan 0.000 0.466 764 L N 0.189 121.324 121.223 -0.148 0.000 2.109 764 L HA -0.085 4.257 4.340 0.005 0.000 0.207 764 L C 2.482 179.280 176.870 -0.120 0.000 1.086 764 L CA 0.992 55.769 54.840 -0.105 0.000 0.760 764 L CB -0.442 41.580 42.059 -0.061 0.000 0.910 764 L HN 0.038 nan 8.230 nan 0.000 0.437 765 A N 0.246 123.030 122.820 -0.059 0.000 1.898 765 A HA -0.177 4.145 4.320 0.005 0.000 0.216 765 A C 2.389 179.891 177.584 -0.136 0.000 1.181 765 A CA 1.319 53.349 52.037 -0.013 0.000 0.620 765 A CB -0.398 18.644 19.000 0.070 0.000 0.819 765 A HN 0.300 nan 8.150 nan 0.000 0.442 766 R N -0.574 119.853 120.500 -0.121 0.000 2.092 766 R HA -0.132 4.211 4.340 0.005 0.000 0.231 766 R C 2.004 178.199 176.300 -0.175 0.000 1.119 766 R CA 1.537 57.564 56.100 -0.122 0.000 0.970 766 R CB -0.426 29.810 30.300 -0.107 0.000 0.864 766 R HN 0.749 nan 8.270 nan 0.000 0.440 767 D N -0.252 120.026 120.400 -0.202 0.000 2.097 767 D HA -0.123 4.520 4.640 0.005 0.000 0.195 767 D C 1.979 178.097 176.300 -0.303 0.000 0.989 767 D CA 1.604 55.485 54.000 -0.199 0.000 0.827 767 D CB -0.245 40.462 40.800 -0.155 0.000 0.966 767 D HN 0.212 nan 8.370 nan 0.000 0.456 768 G N -0.433 108.021 108.800 -0.576 0.000 2.418 768 G HA2 -0.305 3.658 3.960 0.005 0.000 0.217 768 G HA3 -0.305 3.658 3.960 0.005 0.000 0.217 768 G C 1.627 176.049 174.900 -0.796 0.000 1.158 768 G CA 0.834 45.239 45.100 -1.158 0.000 0.771 768 G HN 0.364 nan 8.290 nan 0.000 0.545 769 Q N 0.133 119.649 119.800 -0.473 0.000 2.084 769 Q HA -0.102 4.241 4.340 0.005 0.000 0.202 769 Q C 2.201 178.189 176.000 -0.020 0.000 0.978 769 Q CA 1.377 57.148 55.803 -0.053 0.000 0.844 769 Q CB -0.095 28.654 28.738 0.018 0.000 0.898 769 Q HN 0.356 nan 8.270 nan 0.000 0.426 770 D N 0.039 120.399 120.400 -0.067 0.000 2.117 770 D HA -0.126 4.516 4.640 0.005 0.000 0.197 770 D C 1.938 178.266 176.300 0.047 0.000 0.987 770 D CA 0.872 54.869 54.000 -0.005 0.000 0.829 770 D CB -0.405 40.369 40.800 -0.044 0.000 0.961 770 D HN 0.261 nan 8.370 nan 0.000 0.460 771 C N 0.634 119.926 119.300 -0.013 0.000 2.429 771 C HA -0.086 4.377 4.460 0.005 0.000 0.277 771 C C 2.618 177.699 174.990 0.151 0.000 1.262 771 C CA 0.483 59.529 59.018 0.046 0.000 1.733 771 C CB -0.738 26.987 27.740 -0.025 0.000 2.010 771 C HN 0.427 nan 8.230 nan 0.000 0.483 772 E N 0.593 120.868 120.200 0.126 0.000 2.150 772 E HA -0.205 4.148 4.350 0.005 0.000 0.193 772 E C 2.422 179.113 176.600 0.152 0.000 0.985 772 E CA 0.751 57.249 56.400 0.164 0.000 0.814 772 E CB -0.147 29.683 29.700 0.217 0.000 0.752 772 E HN 0.555 nan 8.360 nan 0.000 0.466 773 R N -0.444 120.144 120.500 0.147 0.000 2.062 773 R HA -0.178 4.165 4.340 0.005 0.000 0.231 773 R C 2.085 178.490 176.300 0.174 0.000 1.136 773 R CA 1.712 57.890 56.100 0.130 0.000 0.948 773 R CB -0.606 29.763 30.300 0.115 0.000 0.845 773 R HN 0.303 nan 8.270 nan 0.000 0.430 774 W N 2.228 123.566 121.300 0.063 0.000 2.335 774 W HA -0.179 4.484 4.660 0.005 0.000 0.311 774 W C 1.708 178.332 176.519 0.175 0.000 1.213 774 W CA 1.899 59.311 57.345 0.111 0.000 1.274 774 W CB -0.276 29.182 29.460 -0.003 0.000 1.148 774 W HN 0.201 nan 8.180 nan 0.000 0.498 775 N N 0.084 119.002 118.700 0.363 0.000 2.149 775 N HA -0.254 4.489 4.740 0.005 0.000 0.188 775 N C 1.784 177.312 175.510 0.031 0.000 1.019 775 N CA 2.034 55.209 53.050 0.209 0.000 0.857 775 N CB -1.149 37.473 38.487 0.225 0.000 0.997 775 N HN 0.361 nan 8.380 nan 0.000 0.426 776 M N 0.199 119.819 119.600 0.033 0.000 2.229 776 M HA -0.046 4.437 4.480 0.005 0.000 0.264 776 M C 1.112 177.352 176.300 -0.100 0.000 1.063 776 M CA 1.297 56.586 55.300 -0.018 0.000 1.114 776 M CB 0.097 32.701 32.600 0.006 0.000 1.387 776 M HN 0.032 nan 8.290 nan 0.000 0.420 777 L N -0.971 120.154 121.223 -0.163 0.000 2.529 777 L HA 0.016 4.359 4.340 0.005 0.000 0.223 777 L C 0.091 176.559 176.870 -0.669 0.000 1.113 777 L CA 0.174 54.803 54.840 -0.351 0.000 0.861 777 L CB -0.166 41.681 42.059 -0.352 0.000 1.012 777 L HN 0.339 nan 8.230 nan 0.000 0.461 778 H N -1.049 117.724 119.070 -0.496 0.000 2.439 778 H HA 0.162 4.721 4.556 0.005 0.000 0.230 778 H C -1.675 173.474 175.328 -0.298 0.000 1.420 778 H CA -1.530 54.204 56.048 -0.522 0.000 1.305 778 H CB 0.182 29.299 29.762 -1.075 0.000 1.667 778 H HN -0.079 nan 8.280 nan 0.000 0.515 779 P HA -0.160 nan 4.420 nan 0.000 0.221 779 P C 0.916 178.205 177.300 -0.019 0.000 1.145 779 P CA 1.068 64.136 63.100 -0.052 0.000 0.795 779 P CB 0.652 32.316 31.700 -0.059 0.000 0.775 780 L N -1.339 119.871 121.223 -0.021 0.000 2.529 780 L HA 0.143 4.486 4.340 0.005 0.000 0.223 780 L C 1.414 178.307 176.870 0.038 0.000 1.113 780 L CA 0.211 55.054 54.840 0.005 0.000 0.861 780 L CB -0.353 41.704 42.059 -0.004 0.000 1.012 780 L HN -0.038 nan 8.230 nan 0.000 0.461 781 E N -0.173 120.062 120.200 0.059 0.000 2.292 781 E HA 0.203 4.556 4.350 0.005 0.000 0.258 781 E C -0.196 176.504 176.600 0.166 0.000 1.115 781 E CA -0.638 55.837 56.400 0.125 0.000 0.929 781 E CB 0.678 30.492 29.700 0.191 0.000 1.161 781 E HN -0.103 nan 8.360 nan 0.000 0.453 782 T N 4.077 118.739 114.554 0.180 0.000 2.829 782 T HA 0.069 4.422 4.350 0.005 0.000 0.293 782 T C -1.962 172.873 174.700 0.225 0.000 0.970 782 T CA -0.896 61.293 62.100 0.147 0.000 1.168 782 T CB -0.142 68.781 68.868 0.091 0.000 0.911 782 T HN 0.284 nan 8.240 nan 0.000 0.535 783 P HA 0.195 nan 4.420 nan 0.000 0.272 783 P C -0.294 177.078 177.300 0.120 0.000 1.223 783 P CA -0.492 62.734 63.100 0.211 0.000 0.784 783 P CB 0.897 32.678 31.700 0.136 0.000 0.923 784 R N 0.824 121.393 120.500 0.116 0.000 2.404 784 R HA 0.463 4.806 4.340 0.005 0.000 0.291 784 R C -0.474 175.830 176.300 0.008 0.000 1.025 784 R CA -0.921 55.164 56.100 -0.026 0.000 0.991 784 R CB 1.025 31.247 30.300 -0.130 0.000 1.053 784 R HN 0.282 nan 8.270 nan 0.000 0.479 785 V N 5.086 124.986 119.914 -0.024 0.000 2.394 785 V HA 0.237 4.360 4.120 0.005 0.000 0.282 785 V C -2.056 174.020 176.094 -0.030 0.000 1.031 785 V CA -2.293 59.998 62.300 -0.015 0.000 0.881 785 V CB 1.504 33.310 31.823 -0.028 0.000 0.982 785 V HN 0.646 nan 8.190 nan 0.000 0.451 786 P HA -0.005 nan 4.420 nan 0.000 0.265 786 P C 0.332 177.618 177.300 -0.023 0.000 1.193 786 P CA 0.215 63.285 63.100 -0.049 0.000 0.765 786 P CB 0.354 32.027 31.700 -0.046 0.000 0.823 787 Y N 3.932 124.170 120.300 -0.103 0.000 2.151 787 Y HA -0.244 4.309 4.550 0.005 0.000 0.284 787 Y C 2.010 177.870 175.900 -0.066 0.000 1.166 787 Y CA 1.577 59.632 58.100 -0.075 0.000 1.163 787 Y CB -0.457 37.957 38.460 -0.076 0.000 0.974 787 Y HN 0.330 nan 8.280 nan 0.000 0.511 788 I N -0.335 120.257 120.570 0.036 0.000 2.454 788 I HA -0.261 3.912 4.170 0.005 0.000 0.254 788 I C 2.121 178.159 176.117 -0.132 0.000 1.156 788 I CA 1.407 62.678 61.300 -0.049 0.000 1.433 788 I CB -0.254 37.732 38.000 -0.024 0.000 1.082 788 I HN 0.334 nan 8.210 nan 0.000 0.432 789 A N -0.555 122.206 122.820 -0.099 0.000 2.208 789 A HA -0.075 4.248 4.320 0.005 0.000 0.209 789 A C 1.994 179.504 177.584 -0.124 0.000 1.161 789 A CA 0.574 52.556 52.037 -0.092 0.000 0.782 789 A CB -0.256 18.722 19.000 -0.037 0.000 0.816 789 A HN 0.579 nan 8.150 nan 0.000 0.477 790 Q N -1.005 118.672 119.800 -0.204 0.000 2.392 790 Q HA 0.112 4.455 4.340 0.005 0.000 0.203 790 Q C 1.264 177.126 176.000 -0.230 0.000 0.917 790 Q CA 0.552 56.217 55.803 -0.231 0.000 0.939 790 Q CB 0.467 29.000 28.738 -0.342 0.000 1.063 790 Q HN 0.505 nan 8.270 nan 0.000 0.516 791 V N -0.227 119.551 119.914 -0.226 0.000 2.806 791 V HA 0.096 4.219 4.120 0.005 0.000 0.239 791 V C 0.981 177.062 176.094 -0.022 0.000 1.113 791 V CA 0.648 62.882 62.300 -0.111 0.000 1.137 791 V CB 0.245 32.001 31.823 -0.112 0.000 0.865 791 V HN 0.234 nan 8.190 nan 0.000 0.482 792 M N 1.468 120.968 119.600 -0.166 0.000 2.227 792 M HA 0.304 4.787 4.480 0.005 0.000 0.316 792 M C 0.285 176.560 176.300 -0.042 0.000 1.144 792 M CA 0.025 55.217 55.300 -0.179 0.000 1.121 792 M CB 0.728 33.121 32.600 -0.345 0.000 1.440 792 M HN 0.513 nan 8.290 nan 0.000 0.473 793 N N -0.363 118.349 118.700 0.020 0.000 2.992 793 N HA 0.282 5.024 4.740 0.005 0.000 0.338 793 N C -0.390 175.123 175.510 0.005 0.000 1.376 793 N CA -0.651 52.413 53.050 0.023 0.000 0.778 793 N CB 0.235 38.757 38.487 0.058 0.000 1.232 793 N HN 0.637 nan 8.380 nan 0.000 0.581 794 D N -1.672 118.737 120.400 0.015 0.000 2.363 794 D HA 0.195 4.838 4.640 0.005 0.000 0.214 794 D C -0.056 176.259 176.300 0.025 0.000 1.093 794 D CA -0.438 53.567 54.000 0.009 0.000 0.837 794 D CB -0.389 40.414 40.800 0.005 0.000 0.948 794 D HN 0.622 nan 8.370 nan 0.000 0.507 795 A N 2.126 124.971 122.820 0.042 0.000 2.425 795 A HA 0.391 4.714 4.320 0.005 0.000 0.242 795 A C -2.118 175.503 177.584 0.061 0.000 1.077 795 A CA -1.014 51.054 52.037 0.051 0.000 0.781 795 A CB -0.221 18.818 19.000 0.064 0.000 1.020 795 A HN 0.085 nan 8.150 nan 0.000 0.494 796 P HA 0.192 nan 4.420 nan 0.000 0.263 796 P C -0.469 176.890 177.300 0.099 0.000 1.175 796 P CA 0.626 63.767 63.100 0.069 0.000 0.761 796 P CB 0.528 32.258 31.700 0.050 0.000 0.794 797 A N 3.180 126.085 122.820 0.141 0.000 2.374 797 A HA 0.683 5.006 4.320 0.005 0.000 0.317 797 A C -0.906 176.771 177.584 0.155 0.000 1.094 797 A CA -0.668 51.487 52.037 0.197 0.000 0.765 797 A CB 1.562 20.737 19.000 0.292 0.000 1.268 797 A HN 0.329 nan 8.150 nan 0.000 0.438 798 V N 0.665 120.650 119.914 0.117 0.000 2.638 798 V HA 0.754 4.877 4.120 0.005 0.000 0.306 798 V C 0.057 176.175 176.094 0.040 0.000 1.052 798 V CA -0.202 62.104 62.300 0.011 0.000 0.885 798 V CB 1.597 33.431 31.823 0.019 0.000 0.999 798 V HN 1.412 nan 8.190 nan 0.000 0.424 799 A N 3.003 125.780 122.820 -0.072 0.000 2.386 799 A HA 0.934 5.257 4.320 0.005 0.000 0.311 799 A C -0.516 177.064 177.584 -0.007 0.000 1.068 799 A CA -0.574 51.484 52.037 0.036 0.000 0.743 799 A CB 2.049 21.097 19.000 0.080 0.000 1.258 799 A HN 0.812 nan 8.150 nan 0.000 0.429 800 S N 0.278 116.024 115.700 0.076 0.000 2.547 800 S HA 0.857 5.330 4.470 0.005 0.000 0.281 800 S C -0.397 174.279 174.600 0.128 0.000 1.118 800 S CA 0.292 58.526 58.200 0.057 0.000 0.947 800 S CB 1.457 64.683 63.200 0.045 0.000 1.053 800 S HN 1.870 nan 8.310 nan 0.000 0.482 801 T N 0.457 115.084 114.554 0.123 0.000 2.787 801 T HA 0.477 4.830 4.350 0.005 0.000 0.297 801 T C -0.446 174.301 174.700 0.077 0.000 1.221 801 T CA -0.495 61.730 62.100 0.208 0.000 1.006 801 T CB 1.392 70.534 68.868 0.456 0.000 1.328 801 T HN 0.316 nan 8.240 nan 0.000 0.509 802 D N -0.725 119.681 120.400 0.010 0.000 2.328 802 D HA 0.267 4.910 4.640 0.005 0.000 0.226 802 D C -0.643 175.304 176.300 -0.587 0.000 1.066 802 D CA 0.128 53.952 54.000 -0.294 0.000 0.861 802 D CB -0.215 40.368 40.800 -0.362 0.000 0.912 802 D HN 0.450 nan 8.370 nan 0.000 0.521 803 Y N -0.133 120.128 120.300 -0.064 0.000 2.631 803 Y HA 0.346 4.899 4.550 0.005 0.000 0.328 803 Y C 0.979 176.839 175.900 -0.066 0.000 1.118 803 Y CA -1.514 56.520 58.100 -0.110 0.000 1.206 803 Y CB 0.617 38.937 38.460 -0.234 0.000 1.337 803 Y HN -0.207 nan 8.280 nan 0.000 0.515 804 M N -0.024 119.638 119.600 0.103 0.000 2.250 804 M HA 0.193 4.676 4.480 0.005 0.000 0.325 804 M C 0.496 176.829 176.300 0.055 0.000 1.084 804 M CA -0.064 55.256 55.300 0.032 0.000 1.161 804 M CB 0.512 33.121 32.600 0.015 0.000 1.481 804 M HN 0.687 nan 8.290 nan 0.000 0.449 805 K N 0.621 121.014 120.400 -0.011 0.000 2.089 805 K HA -0.209 4.114 4.320 0.005 0.000 0.210 805 K C 1.766 178.330 176.600 -0.061 0.000 1.048 805 K CA 1.643 57.899 56.287 -0.052 0.000 0.926 805 K CB -0.549 31.906 32.500 -0.075 0.000 0.714 805 K HN 0.625 nan 8.250 nan 0.000 0.448 806 L N 0.841 122.052 121.223 -0.021 0.000 2.129 806 L HA -0.186 4.157 4.340 0.005 0.000 0.212 806 L C 1.943 178.804 176.870 -0.014 0.000 1.087 806 L CA 1.485 56.313 54.840 -0.020 0.000 0.757 806 L CB -0.608 41.455 42.059 0.007 0.000 0.896 806 L HN 0.111 nan 8.230 nan 0.000 0.434 807 F N 0.202 120.061 119.950 -0.153 0.000 2.126 807 F HA -0.201 4.329 4.527 0.005 0.000 0.299 807 F C 2.178 177.666 175.800 -0.520 0.000 1.096 807 F CA 1.570 59.443 58.000 -0.213 0.000 1.255 807 F CB -0.620 38.307 39.000 -0.122 0.000 0.997 807 F HN 0.158 nan 8.300 nan 0.000 0.479 808 A N -0.598 121.759 122.820 -0.771 0.000 2.044 808 A HA 0.042 4.365 4.320 0.005 0.000 0.213 808 A C 2.005 179.251 177.584 -0.563 0.000 1.169 808 A CA 0.657 51.847 52.037 -1.412 0.000 0.724 808 A CB -0.537 17.854 19.000 -1.016 0.000 0.840 808 A HN 0.456 nan 8.150 nan 0.000 0.463 809 E N 0.650 120.686 120.200 -0.274 0.000 2.274 809 E HA -0.225 4.128 4.350 0.005 0.000 0.194 809 E C 1.988 178.573 176.600 -0.026 0.000 0.996 809 E CA 1.058 57.423 56.400 -0.057 0.000 0.840 809 E CB -0.246 29.412 29.700 -0.071 0.000 0.772 809 E HN 0.922 nan 8.360 nan 0.000 0.491 810 Q N 0.815 120.562 119.800 -0.087 0.000 2.297 810 Q HA -0.129 4.214 4.340 0.005 0.000 0.208 810 Q C 1.994 178.018 176.000 0.040 0.000 0.981 810 Q CA 1.718 57.508 55.803 -0.022 0.000 0.876 810 Q CB -0.523 28.205 28.738 -0.017 0.000 0.921 810 Q HN 0.327 nan 8.270 nan 0.000 0.446 811 V N -2.488 117.457 119.914 0.051 0.000 3.596 811 V HA 0.203 4.325 4.120 0.005 0.000 0.289 811 V C 1.981 178.010 176.094 -0.108 0.000 1.336 811 V CA 0.361 62.735 62.300 0.123 0.000 1.137 811 V CB -0.163 31.765 31.823 0.175 0.000 0.966 811 V HN 0.101 nan 8.190 nan 0.000 0.428 812 R N 2.377 122.807 120.500 -0.117 0.000 2.133 812 R HA -0.179 4.164 4.340 0.005 0.000 0.245 812 R C 2.033 178.147 176.300 -0.310 0.000 1.137 812 R CA 2.886 58.885 56.100 -0.168 0.000 0.947 812 R CB -1.687 28.611 30.300 -0.004 0.000 0.865 812 R HN 0.550 nan 8.270 nan 0.000 0.437 813 T N -0.167 114.102 114.554 -0.474 0.000 2.803 813 T HA -0.164 4.189 4.350 0.005 0.000 0.269 813 T C 1.029 175.330 174.700 -0.665 0.000 1.052 813 T CA 1.808 63.524 62.100 -0.640 0.000 1.136 813 T CB -0.347 67.979 68.868 -0.903 0.000 0.864 813 T HN 0.359 nan 8.240 nan 0.000 0.467 814 Y N 0.295 120.538 120.300 -0.096 0.000 2.478 814 Y HA 0.371 4.924 4.550 0.005 0.000 0.261 814 Y C 0.971 176.781 175.900 -0.149 0.000 1.127 814 Y CA -1.114 56.927 58.100 -0.098 0.000 1.288 814 Y CB -0.461 37.954 38.460 -0.075 0.000 1.084 814 Y HN -0.064 nan 8.280 nan 0.000 0.530 815 V N 5.461 125.268 119.914 -0.179 0.000 2.479 815 V HA 0.025 4.148 4.120 0.005 0.000 0.281 815 V C -1.214 174.779 176.094 -0.169 0.000 1.031 815 V CA -1.114 61.029 62.300 -0.262 0.000 1.038 815 V CB 0.965 32.441 31.823 -0.579 0.000 0.981 815 V HN 0.145 nan 8.190 nan 0.000 0.478 816 P HA 0.128 nan 4.420 nan 0.000 0.258 816 P C 0.052 177.318 177.300 -0.057 0.000 1.319 816 P CA 0.314 63.370 63.100 -0.072 0.000 0.785 816 P CB 0.378 32.043 31.700 -0.058 0.000 1.252 817 A N 0.134 122.912 122.820 -0.070 0.000 2.340 817 A HA 0.395 4.718 4.320 0.005 0.000 0.331 817 A C 0.884 178.462 177.584 -0.010 0.000 1.140 817 A CA -0.572 51.451 52.037 -0.024 0.000 0.801 817 A CB 0.863 19.864 19.000 0.002 0.000 1.234 817 A HN -0.174 nan 8.150 nan 0.000 0.469 818 D N 0.194 120.598 120.400 0.007 0.000 2.277 818 D HA -0.023 4.620 4.640 0.005 0.000 0.208 818 D C -0.468 175.851 176.300 0.033 0.000 0.962 818 D CA 1.231 55.238 54.000 0.011 0.000 0.865 818 D CB 0.445 41.249 40.800 0.008 0.000 0.939 818 D HN 0.534 nan 8.370 nan 0.000 0.510 819 D N -0.554 119.879 120.400 0.054 0.000 2.502 819 D HA 0.148 4.791 4.640 0.005 0.000 0.249 819 D C -1.516 174.878 176.300 0.156 0.000 1.092 819 D CA -0.562 53.483 54.000 0.076 0.000 0.839 819 D CB 1.332 42.162 40.800 0.050 0.000 1.264 819 D HN -0.131 nan 8.370 nan 0.000 0.511 820 Y N 3.569 123.857 120.300 -0.020 0.000 2.317 820 Y HA 0.348 4.901 4.550 0.005 0.000 0.325 820 Y C -1.084 174.801 175.900 -0.025 0.000 1.066 820 Y CA -0.705 57.382 58.100 -0.021 0.000 1.203 820 Y CB 0.742 39.181 38.460 -0.034 0.000 1.127 820 Y HN 0.227 nan 8.280 nan 0.000 0.451 821 R N 4.307 124.655 120.500 -0.254 0.000 2.346 821 R HA 0.734 5.076 4.340 0.005 0.000 0.311 821 R C -1.335 174.705 176.300 -0.434 0.000 0.983 821 R CA -0.973 54.966 56.100 -0.267 0.000 0.880 821 R CB 1.904 32.130 30.300 -0.123 0.000 1.100 821 R HN 0.402 nan 8.270 nan 0.000 0.453 822 V N 5.442 125.132 119.914 -0.374 0.000 2.495 822 V HA 0.405 4.528 4.120 0.005 0.000 0.298 822 V C -0.204 175.777 176.094 -0.187 0.000 1.031 822 V CA -0.748 61.345 62.300 -0.346 0.000 0.871 822 V CB 1.770 33.369 31.823 -0.373 0.000 0.988 822 V HN 0.570 nan 8.190 nan 0.000 0.432 823 L N 4.070 125.210 121.223 -0.138 0.000 2.325 823 L HA 0.972 5.315 4.340 0.005 0.000 0.278 823 L C 0.553 177.375 176.870 -0.079 0.000 1.023 823 L CA -0.152 54.632 54.840 -0.094 0.000 0.811 823 L CB 1.933 43.954 42.059 -0.062 0.000 1.249 823 L HN 0.813 nan 8.230 nan 0.000 0.431 824 G N -0.529 108.225 108.800 -0.078 0.000 2.649 824 G HA2 0.425 4.388 3.960 0.005 0.000 0.290 824 G HA3 0.425 4.388 3.960 0.005 0.000 0.290 824 G C -0.417 174.433 174.900 -0.082 0.000 1.426 824 G CA -0.201 44.861 45.100 -0.062 0.000 0.794 824 G HN 0.466 nan 8.290 nan 0.000 0.483 825 T N -1.056 113.405 114.554 -0.155 0.000 3.268 825 T HA 0.334 4.687 4.350 0.005 0.000 0.244 825 T C -0.392 174.142 174.700 -0.278 0.000 0.915 825 T CA -0.400 61.488 62.100 -0.353 0.000 0.935 825 T CB -0.427 68.015 68.868 -0.710 0.000 1.110 825 T HN 0.264 nan 8.240 nan 0.000 0.573 826 D N 1.683 122.046 120.400 -0.062 0.000 2.455 826 D HA 0.491 5.134 4.640 0.005 0.000 0.241 826 D C 0.997 177.351 176.300 0.089 0.000 1.138 826 D CA 1.354 55.335 54.000 -0.032 0.000 0.877 826 D CB 0.300 41.082 40.800 -0.030 0.000 1.187 826 D HN 0.776 nan 8.370 nan 0.000 0.451 827 G N 0.309 109.113 108.800 0.005 0.000 2.459 827 G HA2 -0.034 3.929 3.960 0.005 0.000 0.685 827 G HA3 -0.034 3.929 3.960 0.005 0.000 0.685 827 G C -0.930 174.038 174.900 0.114 0.000 1.303 827 G CA -1.213 43.944 45.100 0.095 0.000 0.907 827 G HN 0.240 nan 8.290 nan 0.000 0.632 828 F N 1.237 121.322 119.950 0.224 0.000 2.471 828 F HA 0.502 5.032 4.527 0.005 0.000 0.353 828 F C 1.658 177.661 175.800 0.338 0.000 1.113 828 F CA 1.266 59.386 58.000 0.200 0.000 1.262 828 F CB 0.967 40.044 39.000 0.128 0.000 1.146 828 F HN 0.735 nan 8.300 nan 0.000 0.578 829 G N 2.327 111.418 108.800 0.484 0.000 2.616 829 G HA2 0.597 4.560 3.960 0.005 0.000 0.268 829 G HA3 0.597 4.560 3.960 0.005 0.000 0.268 829 G C -0.760 174.316 174.900 0.293 0.000 1.213 829 G CA -0.767 44.598 45.100 0.441 0.000 0.926 829 G HN 0.761 nan 8.290 nan 0.000 0.523 830 R N -1.635 118.988 120.500 0.203 0.000 2.716 830 R HA 0.471 4.814 4.340 0.005 0.000 0.271 830 R C -1.259 175.069 176.300 0.046 0.000 1.028 830 R CA -0.808 55.335 56.100 0.071 0.000 0.883 830 R CB 0.720 30.996 30.300 -0.039 0.000 1.250 830 R HN 0.371 nan 8.270 nan 0.000 0.465 831 S N 0.813 116.519 115.700 0.011 0.000 2.523 831 S HA 0.373 4.846 4.470 0.005 0.000 0.275 831 S C -0.594 173.999 174.600 -0.013 0.000 1.281 831 S CA -0.047 58.156 58.200 0.004 0.000 1.050 831 S CB 0.383 63.579 63.200 -0.006 0.000 0.937 831 S HN 0.563 nan 8.310 nan 0.000 0.492 832 D N -0.171 120.231 120.400 0.002 0.000 2.871 832 D HA 0.108 4.751 4.640 0.005 0.000 0.330 832 D C -0.775 175.536 176.300 0.019 0.000 1.364 832 D CA -0.345 53.654 54.000 -0.001 0.000 0.759 832 D CB 0.808 41.595 40.800 -0.022 0.000 1.325 832 D HN 0.532 nan 8.370 nan 0.000 0.452 833 S N -0.262 115.451 115.700 0.022 0.000 2.614 833 S HA 0.346 4.819 4.470 0.005 0.000 0.265 833 S C 1.313 175.942 174.600 0.049 0.000 1.303 833 S CA -0.284 57.936 58.200 0.034 0.000 1.000 833 S CB 1.506 64.725 63.200 0.031 0.000 0.935 833 S HN 0.490 nan 8.310 nan 0.000 0.551 834 R N 0.588 121.122 120.500 0.058 0.000 2.081 834 R HA -0.111 4.232 4.340 0.005 0.000 0.235 834 R C 2.410 178.747 176.300 0.063 0.000 1.131 834 R CA 1.702 57.842 56.100 0.067 0.000 0.960 834 R CB -0.484 29.865 30.300 0.081 0.000 0.856 834 R HN 0.905 nan 8.270 nan 0.000 0.436 835 E N 0.777 121.016 120.200 0.063 0.000 2.038 835 E HA -0.213 4.140 4.350 0.005 0.000 0.195 835 E C 1.651 178.297 176.600 0.077 0.000 1.000 835 E CA 1.323 57.760 56.400 0.062 0.000 0.803 835 E CB 0.060 29.792 29.700 0.053 0.000 0.750 835 E HN 0.233 nan 8.360 nan 0.000 0.448 836 N N 0.395 119.133 118.700 0.064 0.000 2.166 836 N HA -0.142 4.601 4.740 0.005 0.000 0.186 836 N C 1.967 177.543 175.510 0.111 0.000 1.019 836 N CA 0.856 53.952 53.050 0.077 0.000 0.856 836 N CB -0.213 38.293 38.487 0.032 0.000 0.993 836 N HN 0.246 nan 8.380 nan 0.000 0.426 837 L N 0.527 121.811 121.223 0.102 0.000 2.093 837 L HA -0.049 4.294 4.340 0.005 0.000 0.208 837 L C 2.256 179.263 176.870 0.229 0.000 1.085 837 L CA 0.898 55.838 54.840 0.166 0.000 0.755 837 L CB -0.199 41.986 42.059 0.210 0.000 0.904 837 L HN 0.088 nan 8.230 nan 0.000 0.435 838 R N -1.395 119.187 120.500 0.137 0.000 2.189 838 R HA -0.159 4.184 4.340 0.005 0.000 0.223 838 R C 2.115 178.452 176.300 0.061 0.000 1.092 838 R CA 0.835 56.972 56.100 0.063 0.000 0.989 838 R CB -0.234 30.017 30.300 -0.083 0.000 0.876 838 R HN 0.343 nan 8.270 nan 0.000 0.457 839 H N -0.796 118.296 119.070 0.036 0.000 2.384 839 H HA -0.060 4.499 4.556 0.005 0.000 0.300 839 H C 1.968 177.282 175.328 -0.024 0.000 1.057 839 H CA 1.683 57.781 56.048 0.084 0.000 1.370 839 H CB 0.083 29.928 29.762 0.137 0.000 1.417 839 H HN 0.238 nan 8.280 nan 0.000 0.527 840 H N -0.952 118.084 119.070 -0.058 0.000 2.353 840 H HA -0.110 4.449 4.556 0.005 0.000 0.300 840 H C 1.083 176.159 175.328 -0.419 0.000 1.090 840 H CA 1.939 57.837 56.048 -0.251 0.000 1.327 840 H CB -0.339 29.223 29.762 -0.332 0.000 1.383 840 H HN 0.302 nan 8.280 nan 0.000 0.508 841 F N 1.175 121.023 119.950 -0.169 0.000 2.811 841 F HA 0.103 4.633 4.527 0.005 0.000 0.301 841 F C 0.337 175.876 175.800 -0.435 0.000 1.151 841 F CA 0.755 58.594 58.000 -0.269 0.000 1.412 841 F CB -0.192 38.738 39.000 -0.116 0.000 1.113 841 F HN 0.241 nan 8.300 nan 0.000 0.579 842 E N -0.696 119.145 120.200 -0.598 0.000 2.271 842 E HA -0.182 4.171 4.350 0.005 0.000 0.223 842 E C 0.532 176.753 176.600 -0.633 0.000 1.223 842 E CA 0.504 56.146 56.400 -1.264 0.000 0.704 842 E CB -1.928 27.114 29.700 -1.095 0.000 1.194 842 E HN 0.409 nan 8.360 nan 0.000 0.375 843 V N -3.132 116.586 119.914 -0.327 0.000 3.382 843 V HA 0.076 4.199 4.120 0.005 0.000 0.296 843 V C 0.614 176.676 176.094 -0.055 0.000 1.529 843 V CA 0.316 62.540 62.300 -0.126 0.000 1.048 843 V CB 0.144 31.913 31.823 -0.091 0.000 0.878 843 V HN 0.282 nan 8.190 nan 0.000 0.442 844 D N 1.468 121.853 120.400 -0.025 0.000 2.384 844 D HA 0.468 5.111 4.640 0.005 0.000 0.244 844 D C 1.620 177.961 176.300 0.069 0.000 1.251 844 D CA 0.378 54.370 54.000 -0.014 0.000 0.961 844 D CB 1.267 42.091 40.800 0.039 0.000 1.116 844 D HN 0.192 nan 8.370 nan 0.000 0.484 845 A N 0.518 123.376 122.820 0.064 0.000 1.958 845 A HA -0.236 4.087 4.320 0.005 0.000 0.221 845 A C 2.224 179.713 177.584 -0.158 0.000 1.178 845 A CA 2.293 54.333 52.037 0.006 0.000 0.642 845 A CB -1.155 17.859 19.000 0.023 0.000 0.816 845 A HN 0.531 nan 8.150 nan 0.000 0.453 846 S N -1.502 114.028 115.700 -0.282 0.000 2.370 846 S HA -0.177 4.296 4.470 0.005 0.000 0.226 846 S C 1.780 176.148 174.600 -0.386 0.000 1.033 846 S CA 1.736 59.520 58.200 -0.693 0.000 1.011 846 S CB -0.556 62.300 63.200 -0.573 0.000 0.852 846 S HN 0.704 nan 8.310 nan 0.000 0.457 847 Y N 1.000 121.200 120.300 -0.167 0.000 2.373 847 Y HA -0.015 4.538 4.550 0.005 0.000 0.293 847 Y C 2.349 178.204 175.900 -0.075 0.000 1.129 847 Y CA 0.291 58.330 58.100 -0.102 0.000 1.226 847 Y CB -0.517 37.878 38.460 -0.109 0.000 1.000 847 Y HN 0.054 nan 8.280 nan 0.000 0.549 848 V N -1.341 118.609 119.914 0.061 0.000 2.358 848 V HA -0.236 3.887 4.120 0.005 0.000 0.246 848 V C 2.158 178.255 176.094 0.006 0.000 1.047 848 V CA 1.417 63.737 62.300 0.034 0.000 1.035 848 V CB -0.775 31.070 31.823 0.037 0.000 0.658 848 V HN 0.205 nan 8.190 nan 0.000 0.452 849 V N -0.226 119.673 119.914 -0.026 0.000 2.261 849 V HA -0.221 3.902 4.120 0.005 0.000 0.246 849 V C 2.451 178.529 176.094 -0.026 0.000 1.047 849 V CA 1.974 64.270 62.300 -0.006 0.000 1.015 849 V CB -0.450 31.415 31.823 0.070 0.000 0.642 849 V HN 0.397 nan 8.190 nan 0.000 0.446 850 V N 0.340 120.249 119.914 -0.008 0.000 2.332 850 V HA -0.283 3.840 4.120 0.005 0.000 0.248 850 V C 2.695 178.772 176.094 -0.027 0.000 1.055 850 V CA 2.105 64.392 62.300 -0.022 0.000 1.038 850 V CB -1.158 30.642 31.823 -0.039 0.000 0.651 850 V HN 0.569 nan 8.190 nan 0.000 0.450 851 A N -0.180 122.637 122.820 -0.006 0.000 1.902 851 A HA -0.084 4.239 4.320 0.005 0.000 0.217 851 A C 2.415 179.990 177.584 -0.015 0.000 1.181 851 A CA 2.065 54.099 52.037 -0.005 0.000 0.623 851 A CB -0.725 18.277 19.000 0.004 0.000 0.818 851 A HN 0.564 nan 8.150 nan 0.000 0.443 852 A N -0.169 122.642 122.820 -0.016 0.000 1.873 852 A HA 0.001 4.324 4.320 0.005 0.000 0.215 852 A C 2.166 179.728 177.584 -0.036 0.000 1.186 852 A CA 1.408 53.438 52.037 -0.013 0.000 0.616 852 A CB -0.654 18.346 19.000 -0.001 0.000 0.823 852 A HN 0.456 nan 8.150 nan 0.000 0.442 853 L N -0.533 120.641 121.223 -0.081 0.000 2.042 853 L HA -0.165 4.178 4.340 0.005 0.000 0.210 853 L C 2.849 179.680 176.870 -0.065 0.000 1.076 853 L CA 1.170 55.941 54.840 -0.115 0.000 0.749 853 L CB -0.998 40.925 42.059 -0.226 0.000 0.893 853 L HN 0.506 nan 8.230 nan 0.000 0.432 854 G N -0.225 108.544 108.800 -0.050 0.000 2.469 854 G HA2 -0.264 3.699 3.960 0.005 0.000 0.219 854 G HA3 -0.264 3.699 3.960 0.005 0.000 0.219 854 G C 1.418 176.307 174.900 -0.018 0.000 1.150 854 G CA 0.801 45.883 45.100 -0.030 0.000 0.763 854 G HN 0.448 nan 8.290 nan 0.000 0.561 855 E N 0.006 120.198 120.200 -0.013 0.000 2.077 855 E HA -0.023 4.330 4.350 0.005 0.000 0.193 855 E C 2.591 179.192 176.600 0.001 0.000 0.989 855 E CA 0.518 56.917 56.400 -0.001 0.000 0.800 855 E CB -0.191 29.515 29.700 0.009 0.000 0.746 855 E HN 0.393 nan 8.360 nan 0.000 0.452 856 L N 0.565 121.786 121.223 -0.003 0.000 2.093 856 L HA -0.146 4.197 4.340 0.005 0.000 0.208 856 L C 2.595 179.464 176.870 -0.001 0.000 1.085 856 L CA 0.869 55.710 54.840 0.001 0.000 0.755 856 L CB -0.469 41.589 42.059 -0.001 0.000 0.904 856 L HN 0.150 nan 8.230 nan 0.000 0.435 857 A N 0.156 122.970 122.820 -0.009 0.000 1.933 857 A HA -0.204 4.119 4.320 0.005 0.000 0.218 857 A C 2.292 179.875 177.584 -0.003 0.000 1.175 857 A CA 1.514 53.547 52.037 -0.007 0.000 0.628 857 A CB -0.305 18.686 19.000 -0.014 0.000 0.814 857 A HN 0.315 nan 8.150 nan 0.000 0.444 858 K N -0.737 119.661 120.400 -0.003 0.000 2.211 858 K HA -0.039 4.284 4.320 0.005 0.000 0.203 858 K C 1.676 178.278 176.600 0.003 0.000 1.050 858 K CA 1.022 57.309 56.287 -0.000 0.000 0.945 858 K CB -0.072 32.428 32.500 -0.000 0.000 0.732 858 K HN 0.357 nan 8.250 nan 0.000 0.451 859 R N -0.286 120.217 120.500 0.005 0.000 2.334 859 R HA 0.050 4.393 4.340 0.005 0.000 0.220 859 R C 0.757 177.062 176.300 0.008 0.000 0.917 859 R CA 0.414 56.518 56.100 0.008 0.000 1.073 859 R CB 0.487 30.794 30.300 0.011 0.000 1.056 859 R HN 0.311 nan 8.270 nan 0.000 0.506 860 G N 1.466 110.270 108.800 0.006 0.000 2.168 860 G HA2 -0.319 3.644 3.960 0.005 0.000 0.257 860 G HA3 -0.319 3.644 3.960 0.005 0.000 0.257 860 G C 0.563 175.469 174.900 0.010 0.000 0.997 860 G CA 0.572 45.676 45.100 0.007 0.000 0.708 860 G HN 0.481 nan 8.290 nan 0.000 0.520 861 E N -0.544 119.662 120.200 0.011 0.000 2.435 861 E HA 0.246 4.599 4.350 0.005 0.000 0.195 861 E C 1.397 178.008 176.600 0.019 0.000 1.029 861 E CA 1.105 57.515 56.400 0.016 0.000 0.865 861 E CB 0.199 29.910 29.700 0.018 0.000 0.833 861 E HN 0.922 nan 8.360 nan 0.000 0.510 862 I N -2.656 117.923 120.570 0.015 0.000 3.093 862 I HA 0.381 4.554 4.170 0.005 0.000 0.308 862 I C -1.459 174.666 176.117 0.013 0.000 1.303 862 I CA -1.324 59.988 61.300 0.019 0.000 0.975 862 I CB 2.215 40.228 38.000 0.021 0.000 1.286 862 I HN -0.391 nan 8.210 nan 0.000 0.459 863 D N 2.736 123.146 120.400 0.017 0.000 2.304 863 D HA 0.215 4.858 4.640 0.005 0.000 0.250 863 D C 0.647 176.949 176.300 0.004 0.000 1.107 863 D CA -0.226 53.780 54.000 0.011 0.000 0.885 863 D CB 2.059 42.867 40.800 0.014 0.000 1.192 863 D HN 0.538 nan 8.370 nan 0.000 0.436 864 K N 1.327 121.727 120.400 -0.000 0.000 2.160 864 K HA -0.185 4.138 4.320 0.005 0.000 0.206 864 K C 1.486 178.083 176.600 -0.005 0.000 1.047 864 K CA 1.161 57.445 56.287 -0.006 0.000 0.930 864 K CB 0.160 32.657 32.500 -0.004 0.000 0.720 864 K HN 0.296 nan 8.250 nan 0.000 0.450 865 K N 0.401 120.801 120.400 0.000 0.000 2.147 865 K HA -0.098 4.225 4.320 0.005 0.000 0.205 865 K C 1.943 178.546 176.600 0.006 0.000 1.049 865 K CA 0.982 57.270 56.287 0.001 0.000 0.936 865 K CB -0.011 32.491 32.500 0.004 0.000 0.722 865 K HN -0.049 nan 8.250 nan 0.000 0.446 866 V N 0.925 120.848 119.914 0.015 0.000 2.343 866 V HA -0.223 3.900 4.120 0.005 0.000 0.247 866 V C 2.209 178.300 176.094 -0.005 0.000 1.051 866 V CA 1.490 63.812 62.300 0.038 0.000 1.036 866 V CB -0.310 31.549 31.823 0.062 0.000 0.654 866 V HN 0.078 nan 8.190 nan 0.000 0.451 867 V N 0.447 120.340 119.914 -0.035 0.000 2.343 867 V HA -0.233 3.890 4.120 0.005 0.000 0.247 867 V C 2.710 178.781 176.094 -0.038 0.000 1.051 867 V CA 1.960 64.225 62.300 -0.058 0.000 1.036 867 V CB -1.250 30.545 31.823 -0.047 0.000 0.654 867 V HN 0.547 nan 8.190 nan 0.000 0.451 868 A N 0.145 122.951 122.820 -0.024 0.000 1.933 868 A HA -0.230 4.093 4.320 0.005 0.000 0.218 868 A C 1.969 179.537 177.584 -0.026 0.000 1.175 868 A CA 1.938 53.963 52.037 -0.020 0.000 0.628 868 A CB -0.555 18.437 19.000 -0.013 0.000 0.814 868 A HN 0.569 nan 8.150 nan 0.000 0.444 869 D N 0.169 120.554 120.400 -0.024 0.000 2.183 869 D HA 0.014 4.657 4.640 0.005 0.000 0.203 869 D C 2.137 178.388 176.300 -0.082 0.000 0.969 869 D CA 1.272 55.250 54.000 -0.037 0.000 0.842 869 D CB -0.382 40.409 40.800 -0.016 0.000 0.957 869 D HN 0.445 nan 8.370 nan 0.000 0.484 870 A N 1.017 123.789 122.820 -0.080 0.000 1.930 870 A HA -0.099 4.224 4.320 0.005 0.000 0.217 870 A C 2.337 179.824 177.584 -0.162 0.000 1.175 870 A CA 0.653 52.577 52.037 -0.189 0.000 0.627 870 A CB -0.649 18.293 19.000 -0.098 0.000 0.815 870 A HN 0.153 nan 8.150 nan 0.000 0.443 871 I N -0.290 120.253 120.570 -0.045 0.000 2.286 871 I HA -0.292 3.881 4.170 0.005 0.000 0.248 871 I C 2.930 179.041 176.117 -0.009 0.000 1.115 871 I CA 1.032 62.329 61.300 -0.006 0.000 1.392 871 I CB -0.292 37.697 38.000 -0.020 0.000 1.065 871 I HN 0.382 nan 8.210 nan 0.000 0.418 872 A N 0.592 123.387 122.820 -0.042 0.000 1.872 872 A HA -0.224 4.099 4.320 0.005 0.000 0.214 872 A C 2.414 179.965 177.584 -0.054 0.000 1.187 872 A CA 1.561 53.578 52.037 -0.032 0.000 0.614 872 A CB -0.509 18.469 19.000 -0.036 0.000 0.826 872 A HN 0.279 nan 8.150 nan 0.000 0.442 873 K N -1.239 119.072 120.400 -0.150 0.000 2.063 873 K HA -0.159 4.164 4.320 0.005 0.000 0.208 873 K C 1.084 177.607 176.600 -0.128 0.000 1.048 873 K CA 1.620 57.778 56.287 -0.214 0.000 0.928 873 K CB -0.295 31.957 32.500 -0.415 0.000 0.713 873 K HN 0.392 nan 8.250 nan 0.000 0.442 874 F N 1.740 121.702 119.950 0.019 0.000 2.804 874 F HA 0.098 4.628 4.527 0.005 0.000 0.303 874 F C 0.307 176.133 175.800 0.044 0.000 1.154 874 F CA -0.036 57.978 58.000 0.024 0.000 1.401 874 F CB -0.583 38.413 39.000 -0.006 0.000 1.106 874 F HN 0.120 nan 8.300 nan 0.000 0.568 875 N N 1.026 119.829 118.700 0.172 0.000 2.725 875 N HA -0.237 4.506 4.740 0.005 0.000 0.251 875 N C -0.322 175.318 175.510 0.217 0.000 1.031 875 N CA 0.518 53.651 53.050 0.137 0.000 0.720 875 N CB -1.505 37.036 38.487 0.090 0.000 0.930 875 N HN 0.303 nan 8.380 nan 0.000 0.543 876 I N 0.489 121.152 120.570 0.154 0.000 2.342 876 I HA 0.058 4.231 4.170 0.005 0.000 0.291 876 I C 0.718 176.885 176.117 0.085 0.000 1.010 876 I CA -0.475 60.880 61.300 0.092 0.000 1.308 876 I CB 1.032 38.938 38.000 -0.158 0.000 1.400 876 I HN -0.076 nan 8.210 nan 0.000 0.488 877 D N 6.002 126.474 120.400 0.119 0.000 2.422 877 D HA 0.249 4.892 4.640 0.005 0.000 0.227 877 D C 0.893 177.229 176.300 0.061 0.000 1.190 877 D CA -0.208 53.843 54.000 0.084 0.000 0.905 877 D CB 1.402 42.259 40.800 0.095 0.000 1.034 877 D HN 0.615 nan 8.370 nan 0.000 0.507 878 A N 3.724 126.567 122.820 0.040 0.000 2.178 878 A HA -0.113 4.210 4.320 0.005 0.000 0.218 878 A C 1.293 178.892 177.584 0.024 0.000 1.157 878 A CA 0.983 53.038 52.037 0.030 0.000 0.689 878 A CB 0.116 19.126 19.000 0.017 0.000 0.787 878 A HN 0.555 nan 8.150 nan 0.000 0.465 879 D N -0.459 119.955 120.400 0.024 0.000 2.433 879 D HA 0.063 4.706 4.640 0.005 0.000 0.211 879 D C 0.267 176.575 176.300 0.014 0.000 1.114 879 D CA -0.013 53.997 54.000 0.017 0.000 0.837 879 D CB 0.190 40.999 40.800 0.016 0.000 0.984 879 D HN 0.719 nan 8.370 nan 0.000 0.505 880 K N 0.808 121.219 120.400 0.018 0.000 2.336 880 K HA 0.183 4.506 4.320 0.005 0.000 0.262 880 K C 0.488 177.081 176.600 -0.011 0.000 0.992 880 K CA -0.531 55.762 56.287 0.010 0.000 0.927 880 K CB 1.330 33.839 32.500 0.015 0.000 0.956 880 K HN -0.235 nan 8.250 nan 0.000 0.495 881 V N 1.964 121.871 119.914 -0.011 0.000 2.999 881 V HA -0.077 4.046 4.120 0.005 0.000 0.307 881 V C 0.209 176.268 176.094 -0.058 0.000 1.084 881 V CA -0.232 62.057 62.300 -0.019 0.000 1.155 881 V CB 0.633 32.456 31.823 0.000 0.000 0.975 881 V HN 0.971 nan 8.190 nan 0.000 0.490 882 N N 5.969 124.640 118.700 -0.048 0.000 2.447 882 N HA 0.108 4.851 4.740 0.005 0.000 0.263 882 N C -1.757 173.697 175.510 -0.093 0.000 1.226 882 N CA -0.999 52.008 53.050 -0.071 0.000 0.906 882 N CB 1.453 39.915 38.487 -0.041 0.000 1.060 882 N HN 0.434 nan 8.380 nan 0.000 0.468 883 P HA -0.158 nan 4.420 nan 0.000 0.217 883 P C 1.222 178.521 177.300 -0.002 0.000 1.148 883 P CA 1.197 64.171 63.100 -0.212 0.000 0.828 883 P CB 0.153 31.673 31.700 -0.300 0.000 0.783 884 R N -0.164 120.339 120.500 0.004 0.000 2.120 884 R HA -0.074 4.269 4.340 0.005 0.000 0.234 884 R C 1.766 178.088 176.300 0.037 0.000 1.123 884 R CA 1.145 57.255 56.100 0.016 0.000 0.975 884 R CB -0.552 29.737 30.300 -0.018 0.000 0.866 884 R HN 0.230 nan 8.270 nan 0.000 0.446 885 L N 0.119 121.363 121.223 0.035 0.000 2.529 885 L HA 0.246 4.589 4.340 0.005 0.000 0.223 885 L C 1.269 178.191 176.870 0.087 0.000 1.113 885 L CA -0.173 54.701 54.840 0.057 0.000 0.861 885 L CB -0.150 41.927 42.059 0.030 0.000 1.012 885 L HN 0.127 nan 8.230 nan 0.000 0.461 886 A N 0.000 122.873 122.820 0.088 0.000 2.254 886 A HA 0.000 4.323 4.320 0.005 0.000 0.244 886 A CA 0.000 52.104 52.037 0.112 0.000 0.836 886 A CB 0.000 19.087 19.000 0.146 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486