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 1xf1_1_A DATA FIRST_RESID 106 DATA SEQUENCE NDPSQVKTLQ EKAGKGAGTV VAVIDAGFDK NHEAWRLTDK TKARYQSKED DATA SEQUENCE LEKAKKEHGI TYGEWVNDKV AYYHDYSKDG KTAVDQEHGT HVSGILSGNA DATA SEQUENCE PSETKEPYRL EGAXPEAQLL LXRVEIVNGL ADYARNYAQA IRDAINLGAK DATA SEQUENCE VINXSFGNAA LAYANLPDET KKAFDYAKSK GVSIVTSAGN DSSFGGKTRL DATA SEQUENCE PLADHPDYGV VGTPAAADST LTVASYSPDK QLTETVRVKT ADQQDKEXPV DATA SEQUENCE LSTNRFEPNK AYDYAYANRG TKEDDFKDVK GKIALIERGD IDFKDKIAKA DATA SEQUENCE KKAGAVGVLI YDNQDKGFPI ELPNVDQXPA AFISRKDGLL LKDNPQKTIT DATA SEQUENCE FNATPKVLPT ASGTKLSRFS SWGLTADGNI KPDIAAPGQD ILSSVANNKY DATA SEQUENCE AKLSGTSXSA PLVAGIXGLL QKQYETQYPD XTPSERLDLA KKVLXSSATA DATA SEQUENCE LYDEDEKAYF SPRQQGAGAV DAKKASAATX YVTDKDNTSS KVHLNNVSDK DATA SEQUENCE FEVTVNVHNK SDKPQELYYQ ATVQTDKVDG KHFALAPKVL YETSWQKITI DATA SEQUENCE PANSSKQVTV PIDASRFSKD LLAQXKNGYF LEGFVRFKQD PTKEELXSIP DATA SEQUENCE YIGFRGDFGN LSALEKPIYD SKDGSSYYHE ANSDAKDQLD GDGLQFYALK DATA SEQUENCE NNFTALTTES NPWTIIKAVK EGVENIEDIE SSEITETIFA GTFAKQDDDS DATA SEQUENCE HYYIHRHANG KPYAAISPNG DGNRDYVQFQ GTFLRNAKNL VAEVLDKEGN DATA SEQUENCE VVWTSEVTEQ VVKNYNNDLA STLGSTRFEK TRWDGKDKDG KVVANGTYTY DATA SEQUENCE RVRYTPISSG AKEQHTDFDV IVDNTTPEVA TSATFSTEDR RLTLASKPKT DATA SEQUENCE SQPVYRERIA YTYXDEDLPT TEYISPNEDG TFTLPEEAET XEGATVPLKX DATA SEQUENCE SDFTYVVEDX AGNITYTPVT KLLEGH 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 106 N HA 0.000 nan 4.740 nan 0.000 0.220 106 N C 0.000 175.476 175.510 -0.057 0.000 1.280 106 N CA 0.000 53.018 53.050 -0.053 0.000 0.885 106 N CB 0.000 38.445 38.487 -0.071 0.000 1.341 107 D N 2.120 122.496 120.400 -0.039 0.000 2.613 107 D HA 0.254 4.690 4.640 -0.340 0.000 0.312 107 D C -1.237 175.052 176.300 -0.019 0.000 1.202 107 D CA -1.882 52.101 54.000 -0.028 0.000 0.825 107 D CB 1.047 41.840 40.800 -0.011 0.000 1.113 107 D HN 0.297 nan 8.370 nan 0.000 0.502 108 P HA -0.123 nan 4.420 nan 0.000 0.217 108 P C 0.933 178.252 177.300 0.030 0.000 1.148 108 P CA 0.745 63.838 63.100 -0.012 0.000 0.828 108 P CB 0.418 32.078 31.700 -0.068 0.000 0.783 109 S N -1.216 114.498 115.700 0.023 0.000 2.575 109 S HA 0.048 4.314 4.470 -0.340 0.000 0.215 109 S C 0.430 175.054 174.600 0.040 0.000 0.966 109 S CA -0.156 58.074 58.200 0.050 0.000 0.911 109 S CB -0.558 62.672 63.200 0.051 0.000 0.780 109 S HN 0.257 nan 8.310 nan 0.000 0.514 110 Q N 0.313 120.129 119.800 0.026 0.000 2.453 110 Q HA -0.128 4.009 4.340 -0.340 0.000 0.350 110 Q C 0.643 176.655 176.000 0.020 0.000 1.447 110 Q CA 0.463 56.279 55.803 0.022 0.000 0.968 110 Q CB -1.521 27.234 28.738 0.029 0.000 1.175 110 Q HN 0.570 nan 8.270 nan 0.000 0.354 111 V N -2.784 117.139 119.914 0.015 0.000 3.608 111 V HA -0.051 3.866 4.120 -0.340 0.000 0.269 111 V C 1.979 178.077 176.094 0.007 0.000 1.245 111 V CA 1.236 63.542 62.300 0.012 0.000 1.138 111 V CB 0.056 31.887 31.823 0.013 0.000 0.841 111 V HN 0.482 nan 8.190 nan 0.000 0.451 112 K N 1.304 121.708 120.400 0.007 0.000 2.001 112 K HA -0.292 3.824 4.320 -0.340 0.000 0.214 112 K C 2.268 178.871 176.600 0.005 0.000 1.050 112 K CA 2.504 58.794 56.287 0.005 0.000 0.934 112 K CB -0.719 31.784 32.500 0.005 0.000 0.718 112 K HN 0.504 nan 8.250 nan 0.000 0.443 113 T N 0.521 115.079 114.554 0.007 0.000 2.833 113 T HA -0.123 4.023 4.350 -0.340 0.000 0.269 113 T C 1.773 176.474 174.700 0.003 0.000 1.054 113 T CA 1.214 63.318 62.100 0.007 0.000 1.135 113 T CB -0.140 68.735 68.868 0.012 0.000 0.869 113 T HN 0.299 nan 8.240 nan 0.000 0.466 114 L N 0.562 121.784 121.223 -0.001 0.000 2.131 114 L HA 0.179 4.316 4.340 -0.340 0.000 0.206 114 L C 2.446 179.308 176.870 -0.014 0.000 1.087 114 L CA 1.678 56.511 54.840 -0.012 0.000 0.767 114 L CB -0.673 41.375 42.059 -0.018 0.000 0.917 114 L HN 0.279 nan 8.230 nan 0.000 0.441 115 Q N -0.047 119.748 119.800 -0.007 0.000 2.083 115 Q HA -0.182 3.954 4.340 -0.340 0.000 0.198 115 Q C 1.296 177.294 176.000 -0.004 0.000 0.969 115 Q CA 1.554 57.353 55.803 -0.005 0.000 0.838 115 Q CB -0.121 28.617 28.738 -0.001 0.000 0.900 115 Q HN 0.735 nan 8.270 nan 0.000 0.436 116 E N 0.441 120.640 120.200 -0.001 0.000 2.335 116 E HA -0.074 4.073 4.350 -0.340 0.000 0.191 116 E C 0.949 177.548 176.600 -0.001 0.000 1.150 116 E CA 0.372 56.772 56.400 -0.000 0.000 1.001 116 E CB 0.121 29.822 29.700 0.002 0.000 1.127 116 E HN 0.077 nan 8.360 nan 0.000 0.462 117 K N -0.545 119.852 120.400 -0.005 0.000 2.603 117 K HA 0.257 4.373 4.320 -0.340 0.000 0.216 117 K C 0.739 177.332 176.600 -0.011 0.000 1.562 117 K CA 0.656 56.939 56.287 -0.006 0.000 1.012 117 K CB 0.826 33.322 32.500 -0.006 0.000 1.280 117 K HN 0.121 nan 8.250 nan 0.000 0.620 118 A N 0.347 123.158 122.820 -0.014 0.000 2.664 118 A HA 0.543 4.660 4.320 -0.340 0.000 0.222 118 A C 0.628 178.205 177.584 -0.012 0.000 1.320 118 A CA 0.531 52.557 52.037 -0.018 0.000 1.029 118 A CB 0.734 19.712 19.000 -0.036 0.000 1.318 118 A HN 0.424 nan 8.150 nan 0.000 0.589 119 G N 0.285 109.081 108.800 -0.007 0.000 2.548 119 G HA2 -0.102 3.654 3.960 -0.340 0.000 0.208 119 G HA3 -0.102 3.654 3.960 -0.340 0.000 0.208 119 G C -0.217 174.682 174.900 -0.001 0.000 1.308 119 G CA -0.060 45.039 45.100 -0.002 0.000 0.924 119 G HN 0.408 nan 8.290 nan 0.000 0.540 120 K N 0.349 120.752 120.400 0.004 0.000 2.826 120 K HA 0.481 4.597 4.320 -0.340 0.000 0.206 120 K C 1.077 177.684 176.600 0.011 0.000 1.116 120 K CA 0.461 56.753 56.287 0.007 0.000 1.045 120 K CB 0.868 33.374 32.500 0.010 0.000 0.758 120 K HN 2.177 nan 8.250 nan 0.000 0.465 121 G N 1.179 109.985 108.800 0.010 0.000 2.143 121 G HA2 -0.310 3.447 3.960 -0.340 0.000 0.249 121 G HA3 -0.310 3.447 3.960 -0.340 0.000 0.249 121 G C 0.224 175.138 174.900 0.023 0.000 0.981 121 G CA 0.026 45.135 45.100 0.015 0.000 0.665 121 G HN 0.467 nan 8.290 nan 0.000 0.528 122 A N -0.260 122.573 122.820 0.022 0.000 2.492 122 A HA 0.655 4.771 4.320 -0.340 0.000 0.254 122 A C 1.999 179.599 177.584 0.028 0.000 1.091 122 A CA 1.832 53.886 52.037 0.028 0.000 0.768 122 A CB 0.002 19.016 19.000 0.024 0.000 1.028 122 A HN 2.369 nan 8.150 nan 0.000 0.498 123 G N 1.862 110.685 108.800 0.039 0.000 2.199 123 G HA2 -0.191 3.566 3.960 -0.340 0.000 0.254 123 G HA3 -0.191 3.566 3.960 -0.340 0.000 0.254 123 G C 0.575 175.497 174.900 0.036 0.000 0.982 123 G CA 1.122 46.242 45.100 0.033 0.000 0.632 123 G HN 2.034 nan 8.290 nan 0.000 0.529 124 T N -2.058 112.522 114.554 0.044 0.000 2.936 124 T HA 0.767 4.913 4.350 -0.340 0.000 0.282 124 T C -0.230 174.516 174.700 0.075 0.000 1.003 124 T CA -0.311 61.818 62.100 0.047 0.000 1.005 124 T CB 2.799 71.685 68.868 0.029 0.000 1.097 124 T HN 0.877 nan 8.240 nan 0.000 0.532 125 V N 1.005 120.966 119.914 0.078 0.000 2.588 125 V HA 0.599 4.516 4.120 -0.340 0.000 0.304 125 V C -0.609 175.518 176.094 0.056 0.000 1.042 125 V CA -0.828 61.528 62.300 0.094 0.000 0.877 125 V CB 1.877 33.787 31.823 0.146 0.000 0.996 125 V HN 0.887 nan 8.190 nan 0.000 0.425 126 V N 3.570 123.512 119.914 0.048 0.000 2.487 126 V HA 0.808 4.724 4.120 -0.340 0.000 0.298 126 V C 0.322 176.440 176.094 0.039 0.000 1.028 126 V CA -0.488 61.833 62.300 0.035 0.000 0.860 126 V CB 1.727 33.568 31.823 0.030 0.000 0.991 126 V HN 1.020 nan 8.190 nan 0.000 0.427 127 A N 4.588 127.430 122.820 0.036 0.000 2.303 127 A HA 0.888 5.005 4.320 -0.340 0.000 0.317 127 A C -0.736 176.881 177.584 0.055 0.000 1.149 127 A CA -0.534 51.532 52.037 0.048 0.000 0.822 127 A CB 1.470 20.491 19.000 0.035 0.000 1.131 127 A HN 0.743 nan 8.150 nan 0.000 0.493 128 V N 3.482 123.452 119.914 0.094 0.000 2.488 128 V HA 0.303 4.219 4.120 -0.340 0.000 0.293 128 V C -0.629 175.565 176.094 0.167 0.000 1.027 128 V CA -0.034 62.347 62.300 0.135 0.000 0.862 128 V CB 1.149 33.111 31.823 0.231 0.000 1.008 128 V HN 0.740 nan 8.190 nan 0.000 0.428 129 I N 3.801 124.381 120.570 0.016 0.000 2.321 129 I HA 0.742 4.708 4.170 -0.340 0.000 0.291 129 I C 0.334 176.323 176.117 -0.213 0.000 0.998 129 I CA 0.238 61.456 61.300 -0.136 0.000 1.227 129 I CB 1.373 39.180 38.000 -0.322 0.000 1.368 129 I HN 0.821 nan 8.210 nan 0.000 0.466 130 D N 3.556 123.779 120.400 -0.294 0.000 2.615 130 D HA 0.666 5.102 4.640 -0.340 0.000 0.267 130 D C 0.362 176.412 176.300 -0.417 0.000 1.236 130 D CA 0.091 53.839 54.000 -0.419 0.000 0.839 130 D CB 1.746 42.175 40.800 -0.619 0.000 1.380 130 D HN 0.565 nan 8.370 nan 0.000 0.433 131 A N -1.101 121.538 122.820 -0.302 0.000 2.119 131 A HA 0.611 4.727 4.320 -0.340 0.000 0.216 131 A C 1.363 178.805 177.584 -0.237 0.000 1.152 131 A CA 1.800 53.726 52.037 -0.186 0.000 0.708 131 A CB -0.250 18.694 19.000 -0.093 0.000 0.805 131 A HN 1.862 nan 8.150 nan 0.000 0.460 132 G N -3.456 105.068 108.800 -0.460 0.000 2.559 132 G HA2 0.478 4.234 3.960 -0.340 0.000 0.291 132 G HA3 0.478 4.234 3.960 -0.340 0.000 0.291 132 G C -0.573 173.896 174.900 -0.719 0.000 1.424 132 G CA -0.440 44.427 45.100 -0.388 0.000 0.786 132 G HN 0.110 nan 8.290 nan 0.000 0.485 133 F N -0.403 119.556 119.950 0.014 0.000 2.974 133 F HA 0.177 4.500 4.527 -0.339 0.000 0.357 133 F C 2.137 177.949 175.800 0.020 0.000 1.114 133 F CA 0.160 58.166 58.000 0.010 0.000 1.099 133 F CB 0.747 39.771 39.000 0.040 0.000 1.205 133 F HN 0.526 nan 8.300 nan 0.000 0.535 134 D N 1.005 121.499 120.400 0.157 0.000 2.203 134 D HA -0.219 4.217 4.640 -0.340 0.000 0.199 134 D C 1.422 177.769 176.300 0.079 0.000 0.997 134 D CA 1.352 55.422 54.000 0.117 0.000 0.863 134 D CB -0.061 40.775 40.800 0.060 0.000 0.928 134 D HN 0.187 nan 8.370 nan 0.000 0.458 135 K N 0.490 120.898 120.400 0.014 0.000 2.314 135 K HA -0.015 4.101 4.320 -0.340 0.000 0.198 135 K C 0.531 177.043 176.600 -0.148 0.000 1.045 135 K CA -0.201 56.058 56.287 -0.047 0.000 0.988 135 K CB -0.691 31.765 32.500 -0.073 0.000 0.783 135 K HN 0.161 nan 8.250 nan 0.000 0.484 136 N N 2.179 120.803 118.700 -0.127 0.000 2.396 136 N HA -0.090 4.446 4.740 -0.340 0.000 0.287 136 N C 0.912 176.178 175.510 -0.406 0.000 1.316 136 N CA 0.185 53.057 53.050 -0.298 0.000 0.972 136 N CB 0.192 38.675 38.487 -0.006 0.000 1.341 136 N HN 0.190 nan 8.380 nan 0.000 0.487 137 H N 1.745 120.667 119.070 -0.247 0.000 2.253 137 H HA 0.022 4.374 4.556 -0.340 0.000 0.296 137 H C -0.087 174.741 175.328 -0.834 0.000 1.074 137 H CA 1.019 56.821 56.048 -0.409 0.000 1.263 137 H CB -0.635 28.975 29.762 -0.254 0.000 1.363 137 H HN 0.417 nan 8.280 nan 0.000 0.489 138 E N 0.201 120.310 120.200 -0.152 0.000 3.206 138 E HA -0.179 3.967 4.350 -0.340 0.000 0.380 138 E C -0.034 176.141 176.600 -0.708 0.000 0.859 138 E CA 0.781 56.958 56.400 -0.372 0.000 1.283 138 E CB -0.424 29.063 29.700 -0.355 0.000 0.483 138 E HN 0.770 nan 8.360 nan 0.000 0.364 139 A N 4.917 127.533 122.820 -0.341 0.000 2.900 139 A HA 0.136 4.252 4.320 -0.340 0.000 0.246 139 A C 0.402 177.928 177.584 -0.097 0.000 1.725 139 A CA 0.019 51.902 52.037 -0.256 0.000 1.400 139 A CB -0.881 18.048 19.000 -0.119 0.000 0.973 139 A HN 0.444 nan 8.150 nan 0.000 0.635 140 W N -0.126 121.164 121.300 -0.017 0.000 1.625 140 W HA 0.402 4.858 4.660 -0.339 0.000 0.324 140 W C 0.979 177.470 176.519 -0.047 0.000 1.397 140 W CA -0.225 57.090 57.345 -0.050 0.000 1.629 140 W CB -0.145 29.264 29.460 -0.086 0.000 1.463 140 W HN 0.500 nan 8.180 nan 0.000 0.762 141 R N -2.059 118.594 120.500 0.255 0.000 1.203 141 R HA -0.281 3.855 4.340 -0.340 0.000 0.012 141 R C 0.689 177.039 176.300 0.082 0.000 0.961 141 R CA 1.838 58.007 56.100 0.115 0.000 1.984 141 R CB -2.741 27.650 30.300 0.150 0.000 0.125 141 R HN 0.679 nan 8.270 nan 0.000 0.732 142 L N 0.671 121.947 121.223 0.088 0.000 2.479 142 L HA 0.447 4.583 4.340 -0.340 0.000 0.270 142 L C 1.087 177.991 176.870 0.057 0.000 1.236 142 L CA 1.191 56.069 54.840 0.064 0.000 0.823 142 L CB 0.181 42.272 42.059 0.053 0.000 1.098 142 L HN 0.499 nan 8.230 nan 0.000 0.500 143 T N -1.989 112.596 114.554 0.052 0.000 3.231 143 T HA 0.066 4.212 4.350 -0.340 0.000 0.269 143 T C -0.024 174.703 174.700 0.045 0.000 0.849 143 T CA 0.467 62.597 62.100 0.051 0.000 0.837 143 T CB -0.446 68.460 68.868 0.063 0.000 1.254 143 T HN 1.037 nan 8.240 nan 0.000 0.640 144 D N 2.062 122.487 120.400 0.043 0.000 2.733 144 D HA -0.207 4.230 4.640 -0.340 0.000 0.232 144 D C 0.018 176.340 176.300 0.035 0.000 1.161 144 D CA 0.907 54.928 54.000 0.036 0.000 0.653 144 D CB -1.088 39.729 40.800 0.029 0.000 1.052 144 D HN 0.273 nan 8.370 nan 0.000 0.424 145 K N -0.729 119.697 120.400 0.043 0.000 2.197 145 K HA 0.027 4.143 4.320 -0.340 0.000 0.256 145 K C 0.139 176.772 176.600 0.055 0.000 1.774 145 K CA 0.156 56.468 56.287 0.042 0.000 0.780 145 K CB -0.738 31.783 32.500 0.034 0.000 1.398 145 K HN 0.152 nan 8.250 nan 0.000 0.381 146 T N 0.805 115.398 114.554 0.064 0.000 3.309 146 T HA -0.050 4.096 4.350 -0.340 0.000 0.265 146 T C 0.922 175.670 174.700 0.080 0.000 1.194 146 T CA 0.495 62.648 62.100 0.087 0.000 1.037 146 T CB -0.031 68.892 68.868 0.092 0.000 0.917 146 T HN 0.011 nan 8.240 nan 0.000 0.558 147 K N 2.220 122.655 120.400 0.058 0.000 3.006 147 K HA 0.488 4.605 4.320 -0.340 0.000 0.262 147 K C 0.294 176.922 176.600 0.048 0.000 1.289 147 K CA -0.272 56.041 56.287 0.044 0.000 1.245 147 K CB -0.479 32.038 32.500 0.027 0.000 1.614 147 K HN 0.396 nan 8.250 nan 0.000 0.322 148 A N 0.230 123.095 122.820 0.076 0.000 2.247 148 A HA 0.370 4.486 4.320 -0.340 0.000 0.313 148 A C 1.388 179.009 177.584 0.062 0.000 1.109 148 A CA -0.430 51.659 52.037 0.086 0.000 0.890 148 A CB 0.623 19.705 19.000 0.137 0.000 1.239 148 A HN 0.357 nan 8.150 nan 0.000 0.506 149 R N -0.994 119.534 120.500 0.048 0.000 2.117 149 R HA -0.128 4.008 4.340 -0.340 0.000 0.243 149 R C -0.756 175.392 176.300 -0.253 0.000 1.143 149 R CA 1.745 57.782 56.100 -0.105 0.000 0.968 149 R CB -0.611 29.636 30.300 -0.088 0.000 0.863 149 R HN 0.639 nan 8.270 nan 0.000 0.444 150 Y N 0.815 121.195 120.300 0.133 0.000 2.388 150 Y HA 0.385 4.731 4.550 -0.340 0.000 0.328 150 Y C -0.586 175.461 175.900 0.245 0.000 0.963 150 Y CA -0.829 57.389 58.100 0.196 0.000 1.240 150 Y CB 1.595 40.241 38.460 0.309 0.000 1.118 150 Y HN -0.002 nan 8.280 nan 0.000 0.484 151 Q N 3.139 123.059 119.800 0.200 0.000 2.340 151 Q HA 0.485 4.622 4.340 -0.340 0.000 0.259 151 Q C -0.202 175.732 176.000 -0.110 0.000 0.964 151 Q CA -0.606 55.258 55.803 0.102 0.000 0.900 151 Q CB 1.647 30.405 28.738 0.035 0.000 1.228 151 Q HN 0.899 nan 8.270 nan 0.000 0.449 152 S N 0.586 116.051 115.700 -0.392 0.000 3.547 152 S HA -0.246 4.020 4.470 -0.340 0.000 0.832 152 S C 0.658 174.522 174.600 -1.226 0.000 1.254 152 S CA 0.632 58.277 58.200 -0.924 0.000 0.991 152 S CB -0.005 62.937 63.200 -0.431 0.000 0.544 152 S HN 0.966 nan 8.310 nan 0.000 0.369 153 K N 1.274 120.803 120.400 -1.451 0.000 2.160 153 K HA -0.245 3.872 4.320 -0.340 0.000 0.206 153 K C 1.819 178.240 176.600 -0.298 0.000 1.047 153 K CA 2.372 58.177 56.287 -0.803 0.000 0.930 153 K CB -0.400 31.769 32.500 -0.552 0.000 0.720 153 K HN 0.685 nan 8.250 nan 0.000 0.450 154 E N 1.125 121.162 120.200 -0.271 0.000 2.038 154 E HA -0.199 3.948 4.350 -0.340 0.000 0.195 154 E C 1.852 178.423 176.600 -0.048 0.000 1.000 154 E CA 1.750 58.073 56.400 -0.128 0.000 0.803 154 E CB -0.234 29.393 29.700 -0.122 0.000 0.750 154 E HN 0.349 nan 8.360 nan 0.000 0.448 155 D N 0.185 120.565 120.400 -0.033 0.000 2.182 155 D HA -0.146 4.290 4.640 -0.340 0.000 0.201 155 D C 1.816 178.276 176.300 0.266 0.000 0.986 155 D CA 0.614 54.657 54.000 0.073 0.000 0.847 155 D CB -0.028 40.812 40.800 0.066 0.000 0.942 155 D HN 0.088 nan 8.370 nan 0.000 0.467 156 L N 1.351 122.757 121.223 0.305 0.000 2.023 156 L HA -0.105 4.031 4.340 -0.340 0.000 0.205 156 L C 1.963 178.924 176.870 0.153 0.000 1.073 156 L CA 1.655 56.681 54.840 0.310 0.000 0.745 156 L CB -0.593 41.626 42.059 0.267 0.000 0.900 156 L HN -0.120 nan 8.230 nan 0.000 0.435 157 E N 0.385 120.636 120.200 0.084 0.000 2.160 157 E HA -0.279 3.867 4.350 -0.340 0.000 0.195 157 E C 2.006 178.619 176.600 0.021 0.000 0.991 157 E CA 1.128 57.550 56.400 0.035 0.000 0.810 157 E CB -0.133 29.570 29.700 0.005 0.000 0.742 157 E HN 0.522 nan 8.360 nan 0.000 0.466 158 K N 0.642 121.064 120.400 0.036 0.000 2.001 158 K HA -0.059 4.057 4.320 -0.340 0.000 0.208 158 K C 2.160 178.779 176.600 0.030 0.000 1.048 158 K CA 1.154 57.450 56.287 0.015 0.000 0.932 158 K CB -0.098 32.408 32.500 0.009 0.000 0.715 158 K HN 0.036 nan 8.250 nan 0.000 0.437 159 A N 2.563 125.452 122.820 0.115 0.000 1.892 159 A HA -0.236 3.880 4.320 -0.340 0.000 0.218 159 A C 1.947 179.621 177.584 0.150 0.000 1.188 159 A CA 2.253 54.398 52.037 0.180 0.000 0.631 159 A CB -0.627 18.628 19.000 0.424 0.000 0.822 159 A HN 0.601 nan 8.150 nan 0.000 0.447 160 K N -0.424 120.011 120.400 0.058 0.000 2.366 160 K HA -0.009 4.108 4.320 -0.340 0.000 0.198 160 K C 1.845 178.415 176.600 -0.051 0.000 1.044 160 K CA 1.327 57.599 56.287 -0.025 0.000 0.973 160 K CB -0.131 32.274 32.500 -0.158 0.000 0.767 160 K HN 0.429 nan 8.250 nan 0.000 0.475 161 K N 1.728 122.098 120.400 -0.049 0.000 2.103 161 K HA -0.090 4.026 4.320 -0.340 0.000 0.204 161 K C 1.381 177.922 176.600 -0.099 0.000 1.052 161 K CA 1.200 57.445 56.287 -0.070 0.000 0.945 161 K CB 0.147 32.614 32.500 -0.055 0.000 0.722 161 K HN 0.243 nan 8.250 nan 0.000 0.443 162 E N -0.614 119.498 120.200 -0.146 0.000 2.418 162 E HA -0.108 4.038 4.350 -0.340 0.000 0.197 162 E C 0.276 176.591 176.600 -0.476 0.000 1.026 162 E CA 0.504 56.723 56.400 -0.300 0.000 0.862 162 E CB 0.181 29.655 29.700 -0.377 0.000 0.799 162 E HN 0.379 nan 8.360 nan 0.000 0.518 163 H N -0.926 118.117 119.070 -0.046 0.000 2.549 163 H HA 0.193 4.546 4.556 -0.339 0.000 0.253 163 H C 0.858 176.143 175.328 -0.072 0.000 1.170 163 H CA 0.336 56.357 56.048 -0.046 0.000 0.943 163 H CB 0.817 30.555 29.762 -0.041 0.000 1.849 163 H HN 0.217 nan 8.280 nan 0.000 0.603 164 G N 1.828 110.618 108.800 -0.016 0.000 2.296 164 G HA2 -0.304 3.453 3.960 -0.340 0.000 0.282 164 G HA3 -0.304 3.453 3.960 -0.340 0.000 0.282 164 G C 0.293 175.123 174.900 -0.117 0.000 1.014 164 G CA 0.305 45.376 45.100 -0.047 0.000 0.812 164 G HN 0.450 nan 8.290 nan 0.000 0.508 165 I N 0.854 121.309 120.570 -0.192 0.000 2.297 165 I HA 0.235 4.202 4.170 -0.340 0.000 0.291 165 I C 1.410 177.251 176.117 -0.459 0.000 1.033 165 I CA -0.277 60.741 61.300 -0.470 0.000 1.253 165 I CB 1.296 39.010 38.000 -0.476 0.000 1.396 165 I HN 0.021 nan 8.210 nan 0.000 0.476 166 T N 4.206 118.454 114.554 -0.510 0.000 3.057 166 T HA 0.066 4.212 4.350 -0.340 0.000 0.254 166 T C 0.263 174.819 174.700 -0.240 0.000 1.094 166 T CA 0.508 62.452 62.100 -0.261 0.000 1.088 166 T CB -0.153 68.656 68.868 -0.099 0.000 0.934 166 T HN 0.510 nan 8.240 nan 0.000 0.497 167 Y N 0.483 120.677 120.300 -0.177 0.000 2.480 167 Y HA 0.706 5.052 4.550 -0.340 0.000 0.323 167 Y C 0.620 176.335 175.900 -0.309 0.000 1.267 167 Y CA -1.228 56.665 58.100 -0.346 0.000 1.336 167 Y CB 0.371 38.398 38.460 -0.722 0.000 1.361 167 Y HN 0.164 nan 8.280 nan 0.000 0.518 168 G N 0.510 109.200 108.800 -0.183 0.000 2.629 168 G HA2 0.199 3.955 3.960 -0.340 0.000 0.686 168 G HA3 0.199 3.955 3.960 -0.340 0.000 0.686 168 G C -1.631 173.269 174.900 -0.000 0.000 1.232 168 G CA -0.863 44.152 45.100 -0.141 0.000 0.803 168 G HN 0.882 nan 8.290 nan 0.000 0.638 169 E N -0.344 119.815 120.200 -0.068 0.000 2.390 169 E HA 0.422 4.568 4.350 -0.340 0.000 0.277 169 E C -0.502 176.186 176.600 0.148 0.000 0.939 169 E CA -0.999 55.457 56.400 0.093 0.000 0.769 169 E CB 2.241 32.000 29.700 0.098 0.000 1.251 169 E HN 0.667 nan 8.360 nan 0.000 0.450 170 W N 3.396 124.712 121.300 0.026 0.000 2.303 170 W HA 0.558 5.014 4.660 -0.339 0.000 0.334 170 W C -1.529 174.975 176.519 -0.025 0.000 1.197 170 W CA -0.332 57.021 57.345 0.014 0.000 1.262 170 W CB 0.982 30.452 29.460 0.017 0.000 1.153 170 W HN 0.306 nan 8.180 nan 0.000 0.596 171 V N 4.936 124.359 119.914 -0.819 0.000 2.924 171 V HA 0.164 4.081 4.120 -0.340 0.000 0.300 171 V C -0.562 174.985 176.094 -0.912 0.000 1.227 171 V CA -1.275 60.654 62.300 -0.619 0.000 0.954 171 V CB 1.387 32.959 31.823 -0.418 0.000 1.055 171 V HN 0.881 nan 8.190 nan 0.000 0.429 172 N N 2.136 120.526 118.700 -0.516 0.000 5.150 172 N HA -0.182 4.354 4.740 -0.340 0.000 0.358 172 N C 0.237 175.440 175.510 -0.512 0.000 1.135 172 N CA 1.109 53.946 53.050 -0.355 0.000 2.772 172 N CB -0.100 38.202 38.487 -0.308 0.000 0.496 172 N HN 0.891 nan 8.380 nan 0.000 0.799 173 D N -0.120 120.209 120.400 -0.118 0.000 2.312 173 D HA -0.067 4.369 4.640 -0.340 0.000 0.211 173 D C 0.553 176.773 176.300 -0.134 0.000 0.964 173 D CA 1.097 55.107 54.000 0.016 0.000 0.877 173 D CB 0.152 41.044 40.800 0.154 0.000 0.924 173 D HN 0.357 nan 8.370 nan 0.000 0.515 174 K N 0.452 120.747 120.400 -0.176 0.000 2.207 174 K HA 0.323 4.439 4.320 -0.340 0.000 0.255 174 K C -0.376 176.077 176.600 -0.245 0.000 0.941 174 K CA -0.450 55.763 56.287 -0.123 0.000 0.825 174 K CB 2.073 34.568 32.500 -0.009 0.000 1.119 174 K HN -0.267 nan 8.250 nan 0.000 0.430 175 V N 2.727 122.516 119.914 -0.207 0.000 6.629 175 V HA -0.219 3.697 4.120 -0.340 0.000 0.347 175 V C 0.696 176.533 176.094 -0.429 0.000 0.444 175 V CA 0.850 63.002 62.300 -0.247 0.000 0.717 175 V CB -2.165 29.503 31.823 -0.259 0.000 0.354 175 V HN 0.985 nan 8.190 nan 0.000 0.961 176 A N 0.290 122.880 122.820 -0.382 0.000 2.216 176 A HA 0.265 4.381 4.320 -0.340 0.000 0.214 176 A C 0.360 177.869 177.584 -0.125 0.000 1.160 176 A CA 1.755 53.513 52.037 -0.466 0.000 0.725 176 A CB 0.005 18.899 19.000 -0.177 0.000 0.784 176 A HN 1.647 nan 8.150 nan 0.000 0.472 177 Y N -2.212 117.950 120.300 -0.231 0.000 2.519 177 Y HA 0.507 4.853 4.550 -0.340 0.000 0.336 177 Y C -1.683 174.221 175.900 0.006 0.000 1.089 177 Y CA -1.851 56.191 58.100 -0.098 0.000 1.025 177 Y CB 1.071 39.459 38.460 -0.120 0.000 1.318 177 Y HN 0.173 nan 8.280 nan 0.000 0.452 178 Y N 5.511 125.366 120.300 -0.743 0.000 2.544 178 Y HA 0.652 4.998 4.550 -0.340 0.000 0.342 178 Y C -1.780 173.796 175.900 -0.540 0.000 1.062 178 Y CA -0.755 57.017 58.100 -0.547 0.000 1.023 178 Y CB 1.478 39.723 38.460 -0.358 0.000 1.308 178 Y HN 0.848 nan 8.280 nan 0.000 0.457 179 H N 3.779 121.959 119.070 -1.483 0.000 3.094 179 H HA 0.197 4.549 4.556 -0.340 0.000 0.335 179 H C -2.139 172.700 175.328 -0.815 0.000 1.254 179 H CA -0.696 54.706 56.048 -1.077 0.000 1.240 179 H CB 2.068 31.415 29.762 -0.692 0.000 1.936 179 H HN 0.797 nan 8.280 nan 0.000 0.536 180 D N 3.590 123.274 120.400 -1.193 0.000 2.427 180 D HA 0.090 4.526 4.640 -0.340 0.000 0.226 180 D C -0.095 175.671 176.300 -0.889 0.000 1.076 180 D CA -0.209 53.390 54.000 -0.668 0.000 0.849 180 D CB 0.482 41.075 40.800 -0.344 0.000 1.052 180 D HN 0.523 nan 8.370 nan 0.000 0.515 181 Y N 1.303 121.239 120.300 -0.605 0.000 2.578 181 Y HA -0.023 4.323 4.550 -0.339 0.000 0.297 181 Y C 1.050 176.804 175.900 -0.243 0.000 1.176 181 Y CA -0.034 57.814 58.100 -0.421 0.000 1.315 181 Y CB 0.435 38.741 38.460 -0.256 0.000 1.031 181 Y HN 0.257 nan 8.280 nan 0.000 0.524 182 S N -1.701 113.951 115.700 -0.081 0.000 2.317 182 S HA 0.382 4.648 4.470 -0.340 0.000 0.144 182 S C -0.112 174.455 174.600 -0.054 0.000 1.660 182 S CA -1.014 57.166 58.200 -0.033 0.000 1.273 182 S CB 0.684 63.903 63.200 0.031 0.000 1.330 182 S HN 0.007 nan 8.310 nan 0.000 0.395 183 K N 1.701 122.052 120.400 -0.082 0.000 2.011 183 K HA 0.206 4.323 4.320 -0.340 0.000 0.216 183 K C -0.210 176.370 176.600 -0.033 0.000 1.026 183 K CA 0.299 56.549 56.287 -0.062 0.000 0.987 183 K CB -0.744 31.714 32.500 -0.069 0.000 0.907 183 K HN 0.455 nan 8.250 nan 0.000 0.448 184 D N -0.417 119.967 120.400 -0.027 0.000 3.184 184 D HA 0.063 4.499 4.640 -0.340 0.000 0.193 184 D C 0.819 177.110 176.300 -0.014 0.000 1.050 184 D CA 2.211 56.202 54.000 -0.017 0.000 0.735 184 D CB 0.110 40.903 40.800 -0.012 0.000 1.142 184 D HN 0.662 nan 8.370 nan 0.000 0.515 185 G N 0.974 109.766 108.800 -0.013 0.000 2.370 185 G HA2 -0.208 3.548 3.960 -0.340 0.000 0.174 185 G HA3 -0.208 3.548 3.960 -0.340 0.000 0.174 185 G C -0.337 174.553 174.900 -0.016 0.000 1.002 185 G CA -0.123 44.969 45.100 -0.013 0.000 0.730 185 G HN 0.591 nan 8.290 nan 0.000 0.497 186 K N 0.019 120.409 120.400 -0.017 0.000 5.898 186 K HA -0.107 4.009 4.320 -0.340 0.000 0.595 186 K C -0.755 175.832 176.600 -0.022 0.000 1.356 186 K CA 0.991 57.266 56.287 -0.020 0.000 1.535 186 K CB -1.847 30.642 32.500 -0.020 0.000 1.834 186 K HN 0.403 nan 8.250 nan 0.000 0.372 187 T N 1.359 115.899 114.554 -0.023 0.000 2.892 187 T HA 0.570 4.717 4.350 -0.340 0.000 0.311 187 T C -0.436 174.247 174.700 -0.028 0.000 1.033 187 T CA -0.409 61.677 62.100 -0.023 0.000 0.991 187 T CB 1.458 70.316 68.868 -0.018 0.000 0.981 187 T HN 0.526 nan 8.240 nan 0.000 0.457 188 A N 3.264 126.064 122.820 -0.034 0.000 2.324 188 A HA 0.847 4.963 4.320 -0.340 0.000 0.330 188 A C 0.527 178.082 177.584 -0.049 0.000 1.165 188 A CA -0.574 51.435 52.037 -0.045 0.000 0.813 188 A CB 0.824 19.797 19.000 -0.045 0.000 1.197 188 A HN 0.610 nan 8.150 nan 0.000 0.484 189 V N 1.232 121.104 119.914 -0.069 0.000 3.324 189 V HA 0.122 4.039 4.120 -0.340 0.000 0.192 189 V C 1.095 177.144 176.094 -0.074 0.000 1.223 189 V CA 0.831 63.087 62.300 -0.073 0.000 1.400 189 V CB -0.508 31.247 31.823 -0.113 0.000 1.277 189 V HN 0.912 nan 8.190 nan 0.000 0.486 190 D N -0.718 119.620 120.400 -0.103 0.000 2.818 190 D HA 0.182 4.619 4.640 -0.340 0.000 0.250 190 D C 0.838 177.085 176.300 -0.089 0.000 1.496 190 D CA 0.262 54.213 54.000 -0.081 0.000 1.192 190 D CB 0.309 41.065 40.800 -0.073 0.000 0.963 190 D HN 0.343 nan 8.370 nan 0.000 0.259 191 Q N 0.021 119.756 119.800 -0.109 0.000 2.074 191 Q HA 0.161 4.297 4.340 -0.340 0.000 0.265 191 Q C -1.164 174.753 176.000 -0.138 0.000 0.855 191 Q CA 0.046 55.787 55.803 -0.103 0.000 1.083 191 Q CB 1.764 30.460 28.738 -0.070 0.000 1.260 191 Q HN 0.252 nan 8.270 nan 0.000 0.427 192 E N 0.705 120.782 120.200 -0.206 0.000 2.372 192 E HA -0.227 3.919 4.350 -0.340 0.000 0.254 192 E C -0.588 175.908 176.600 -0.174 0.000 1.102 192 E CA 0.376 56.622 56.400 -0.256 0.000 0.740 192 E CB -1.435 28.141 29.700 -0.207 0.000 1.292 192 E HN 0.507 nan 8.360 nan 0.000 0.394 193 H N -3.267 115.760 119.070 -0.070 0.000 3.612 193 H HA -0.246 4.106 4.556 -0.340 0.000 0.212 193 H C 1.021 176.317 175.328 -0.055 0.000 1.041 193 H CA 2.389 58.394 56.048 -0.070 0.000 1.205 193 H CB -1.582 28.129 29.762 -0.084 0.000 1.159 193 H HN 1.135 nan 8.280 nan 0.000 0.323 194 G N -0.107 108.706 108.800 0.022 0.000 2.629 194 G HA2 -0.004 3.753 3.960 -0.340 0.000 0.154 194 G HA3 -0.004 3.753 3.960 -0.340 0.000 0.154 194 G C 0.112 175.008 174.900 -0.006 0.000 1.077 194 G CA 0.306 45.409 45.100 0.005 0.000 0.831 194 G HN 0.795 nan 8.290 nan 0.000 0.495 195 T N 0.863 115.379 114.554 -0.064 0.000 3.173 195 T HA -0.148 3.998 4.350 -0.340 0.000 0.441 195 T C 0.465 175.143 174.700 -0.036 0.000 0.771 195 T CA 1.284 63.309 62.100 -0.124 0.000 2.303 195 T CB -1.505 67.334 68.868 -0.048 0.000 1.682 195 T HN 2.115 nan 8.240 nan 0.000 0.651 196 H N -1.467 117.618 119.070 0.025 0.000 2.969 196 H HA -0.134 4.219 4.556 -0.340 0.000 0.347 196 H C 0.827 176.184 175.328 0.048 0.000 1.235 196 H CA 0.624 56.694 56.048 0.037 0.000 1.179 196 H CB -1.941 27.834 29.762 0.022 0.000 1.578 196 H HN 1.091 nan 8.280 nan 0.000 0.431 197 V N 0.024 120.046 119.914 0.180 0.000 5.691 197 V HA -0.330 3.586 4.120 -0.340 0.000 0.288 197 V C 1.220 177.345 176.094 0.051 0.000 0.615 197 V CA 1.830 64.193 62.300 0.104 0.000 0.619 197 V CB -1.642 30.191 31.823 0.017 0.000 0.296 197 V HN 1.225 nan 8.190 nan 0.000 0.834 198 S N 0.462 116.202 115.700 0.066 0.000 3.336 198 S HA -0.061 4.206 4.470 -0.340 0.000 0.362 198 S C 1.520 176.139 174.600 0.032 0.000 0.941 198 S CA 1.448 59.670 58.200 0.037 0.000 1.297 198 S CB -1.239 61.969 63.200 0.013 0.000 0.915 198 S HN 2.863 nan 8.310 nan 0.000 0.527 199 G N 1.347 110.180 108.800 0.055 0.000 2.132 199 G HA2 -0.245 3.511 3.960 -0.340 0.000 0.234 199 G HA3 -0.245 3.511 3.960 -0.340 0.000 0.234 199 G C 0.374 175.295 174.900 0.034 0.000 0.989 199 G CA -0.268 44.858 45.100 0.043 0.000 0.676 199 G HN 1.865 nan 8.290 nan 0.000 0.522 200 I N -1.228 119.369 120.570 0.047 0.000 8.455 200 I HA -0.216 3.750 4.170 -0.340 0.000 0.126 200 I C 0.842 176.965 176.117 0.009 0.000 1.855 200 I CA 0.804 62.121 61.300 0.030 0.000 2.041 200 I CB -0.563 37.446 38.000 0.014 0.000 3.831 200 I HN 1.024 nan 8.210 nan 0.000 0.170 201 L N 4.254 125.474 121.223 -0.004 0.000 2.878 201 L HA -0.134 4.002 4.340 -0.340 0.000 0.717 201 L C 0.111 176.958 176.870 -0.039 0.000 1.168 201 L CA 0.934 55.767 54.840 -0.012 0.000 1.349 201 L CB -1.597 40.471 42.059 0.016 0.000 2.015 201 L HN 0.998 nan 8.230 nan 0.000 0.935 202 S N -0.393 115.252 115.700 -0.092 0.000 2.656 202 S HA 0.957 5.223 4.470 -0.340 0.000 0.265 202 S C -0.307 174.177 174.600 -0.193 0.000 1.132 202 S CA -0.004 58.133 58.200 -0.105 0.000 0.819 202 S CB 2.264 65.427 63.200 -0.062 0.000 1.119 202 S HN 1.927 nan 8.310 nan 0.000 0.476 203 G N 0.138 108.837 108.800 -0.168 0.000 2.333 203 G HA2 0.437 4.194 3.960 -0.340 0.000 0.330 203 G HA3 0.437 4.194 3.960 -0.340 0.000 0.330 203 G C -1.666 173.139 174.900 -0.159 0.000 1.465 203 G CA -0.173 44.789 45.100 -0.230 0.000 0.996 203 G HN 1.605 nan 8.290 nan 0.000 0.655 204 N N -1.306 117.328 118.700 -0.111 0.000 4.937 204 N HA 0.645 5.182 4.740 -0.340 0.000 0.165 204 N C -0.436 175.162 175.510 0.146 0.000 1.017 204 N CA 0.692 53.768 53.050 0.042 0.000 1.167 204 N CB 1.149 39.661 38.487 0.043 0.000 1.558 204 N HN 1.883 nan 8.380 nan 0.000 0.908 205 A N 3.157 126.188 122.820 0.352 0.000 2.958 205 A HA 0.425 4.541 4.320 -0.340 0.000 0.214 205 A C -2.603 175.130 177.584 0.249 0.000 0.902 205 A CA -0.541 51.692 52.037 0.326 0.000 1.136 205 A CB -0.036 19.232 19.000 0.446 0.000 1.250 205 A HN 0.452 nan 8.150 nan 0.000 0.497 206 P HA 0.360 nan 4.420 nan 0.000 0.268 206 P C 0.121 177.439 177.300 0.029 0.000 1.204 206 P CA 0.749 63.884 63.100 0.057 0.000 0.768 206 P CB 0.745 32.480 31.700 0.058 0.000 0.842 207 S N -0.007 115.686 115.700 -0.013 0.000 3.255 207 S HA 0.131 4.398 4.470 -0.340 0.000 0.125 207 S C -0.879 173.704 174.600 -0.028 0.000 0.855 207 S CA -0.920 57.277 58.200 -0.005 0.000 0.833 207 S CB -1.140 62.074 63.200 0.022 0.000 1.449 207 S HN 0.516 nan 8.310 nan 0.000 0.640 208 E N 1.021 121.180 120.200 -0.067 0.000 2.272 208 E HA 0.764 4.910 4.350 -0.340 0.000 0.269 208 E C -1.237 175.310 176.600 -0.089 0.000 0.877 208 E CA -0.372 55.956 56.400 -0.120 0.000 0.755 208 E CB 1.946 31.496 29.700 -0.250 0.000 1.192 208 E HN 0.454 nan 8.360 nan 0.000 0.422 209 T N 2.762 117.272 114.554 -0.074 0.000 2.840 209 T HA 0.254 4.400 4.350 -0.340 0.000 0.317 209 T C -0.553 174.125 174.700 -0.036 0.000 1.401 209 T CA -0.747 61.327 62.100 -0.044 0.000 1.028 209 T CB 1.455 70.315 68.868 -0.014 0.000 1.317 209 T HN 0.658 nan 8.240 nan 0.000 0.495 210 K N -0.629 119.752 120.400 -0.032 0.000 3.572 210 K HA -0.192 3.924 4.320 -0.340 0.000 0.306 210 K C -0.303 176.264 176.600 -0.055 0.000 1.286 210 K CA 1.514 57.782 56.287 -0.033 0.000 1.010 210 K CB -0.867 31.626 32.500 -0.011 0.000 1.268 210 K HN 0.665 nan 8.250 nan 0.000 0.438 211 E N 1.368 121.538 120.200 -0.050 0.000 2.092 211 E HA 0.113 4.259 4.350 -0.340 0.000 0.271 211 E C -1.816 174.767 176.600 -0.028 0.000 0.919 211 E CA -1.794 54.599 56.400 -0.013 0.000 0.760 211 E CB 1.069 30.787 29.700 0.031 0.000 1.106 211 E HN 0.069 nan 8.360 nan 0.000 0.408 212 P HA -0.033 nan 4.420 nan 0.000 0.255 212 P C -0.732 176.596 177.300 0.046 0.000 1.248 212 P CA 0.310 63.365 63.100 -0.075 0.000 0.807 212 P CB -0.051 31.557 31.700 -0.153 0.000 1.150 213 Y N -0.393 119.860 120.300 -0.077 0.000 2.545 213 Y HA 0.788 5.134 4.550 -0.340 0.000 0.348 213 Y C -0.136 175.735 175.900 -0.047 0.000 1.002 213 Y CA -1.699 56.370 58.100 -0.052 0.000 1.039 213 Y CB 1.787 40.226 38.460 -0.035 0.000 1.271 213 Y HN -0.215 nan 8.280 nan 0.000 0.467 214 R N 1.869 122.403 120.500 0.057 0.000 2.829 214 R HA 0.518 4.655 4.340 -0.340 0.000 0.267 214 R C -1.667 174.633 176.300 0.001 0.000 1.051 214 R CA -1.108 55.011 56.100 0.033 0.000 0.927 214 R CB 1.136 31.451 30.300 0.026 0.000 1.292 214 R HN 0.778 nan 8.270 nan 0.000 0.445 215 L N 1.301 122.532 121.223 0.015 0.000 2.489 215 L HA -0.045 4.091 4.340 -0.340 0.000 0.285 215 L C 0.548 177.425 176.870 0.011 0.000 1.259 215 L CA 1.058 55.898 54.840 -0.000 0.000 0.828 215 L CB -0.055 42.012 42.059 0.014 0.000 1.094 215 L HN 0.968 nan 8.230 nan 0.000 0.524 216 E N -0.467 119.742 120.200 0.014 0.000 4.520 216 E HA -0.261 3.885 4.350 -0.340 0.000 0.303 216 E C 0.969 177.580 176.600 0.018 0.000 0.697 216 E CA 0.452 56.863 56.400 0.018 0.000 1.710 216 E CB -1.466 28.246 29.700 0.020 0.000 1.812 216 E HN 1.091 nan 8.360 nan 0.000 0.436 217 G N 1.278 110.090 108.800 0.019 0.000 2.565 217 G HA2 -0.246 3.510 3.960 -0.340 0.000 0.295 217 G HA3 -0.246 3.510 3.960 -0.340 0.000 0.295 217 G C 0.411 175.332 174.900 0.035 0.000 1.165 217 G CA 1.287 46.406 45.100 0.031 0.000 0.977 217 G HN 1.187 nan 8.290 nan 0.000 0.546 221 E N 1.337 121.551 120.200 0.023 0.000 2.489 221 E HA 0.357 4.503 4.350 -0.340 0.000 0.193 221 E C 0.988 177.609 176.600 0.036 0.000 1.057 221 E CA 0.422 56.840 56.400 0.029 0.000 0.866 221 E CB 0.462 30.178 29.700 0.026 0.000 0.916 221 E HN 0.552 nan 8.360 nan 0.000 0.500 222 A N 1.004 123.844 122.820 0.034 0.000 2.332 222 A HA 0.262 4.378 4.320 -0.340 0.000 0.258 222 A C 0.389 178.000 177.584 0.045 0.000 1.087 222 A CA -0.318 51.745 52.037 0.042 0.000 0.802 222 A CB 0.575 19.597 19.000 0.036 0.000 1.042 222 A HN -0.003 nan 8.150 nan 0.000 0.489 223 Q N -0.348 119.489 119.800 0.061 0.000 2.212 223 Q HA 0.618 4.754 4.340 -0.340 0.000 0.238 223 Q C -1.020 174.998 176.000 0.030 0.000 0.955 223 Q CA -0.366 55.464 55.803 0.046 0.000 0.906 223 Q CB 1.333 30.124 28.738 0.088 0.000 1.215 223 Q HN 0.646 nan 8.270 nan 0.000 0.478 224 L N 1.403 122.622 121.223 -0.007 0.000 2.330 224 L HA 0.560 4.697 4.340 -0.340 0.000 0.271 224 L C -0.778 176.088 176.870 -0.007 0.000 1.013 224 L CA -0.825 54.013 54.840 -0.003 0.000 0.816 224 L CB 1.200 43.252 42.059 -0.012 0.000 1.287 224 L HN 0.360 nan 8.230 nan 0.000 0.435 225 L N 3.676 124.921 121.223 0.036 0.000 2.342 225 L HA 0.535 4.671 4.340 -0.340 0.000 0.276 225 L C -0.464 176.457 176.870 0.085 0.000 0.997 225 L CA -0.274 54.632 54.840 0.110 0.000 0.838 225 L CB 1.543 43.691 42.059 0.149 0.000 1.224 225 L HN 0.454 nan 8.230 nan 0.000 0.416 229 V N 3.643 123.484 119.914 -0.121 0.000 2.709 229 V HA 0.611 4.527 4.120 -0.340 0.000 0.308 229 V C -0.488 175.647 176.094 0.069 0.000 1.062 229 V CA -0.655 61.578 62.300 -0.113 0.000 0.901 229 V CB 2.100 33.657 31.823 -0.444 0.000 1.003 229 V HN 0.798 nan 8.190 nan 0.000 0.425 230 E N 2.929 123.237 120.200 0.179 0.000 2.433 230 E HA 0.550 4.696 4.350 -0.340 0.000 0.278 230 E C -1.375 175.292 176.600 0.111 0.000 0.976 230 E CA -1.009 55.467 56.400 0.127 0.000 0.793 230 E CB 2.939 32.649 29.700 0.016 0.000 1.311 230 E HN 0.515 nan 8.360 nan 0.000 0.460 231 I N 1.857 122.305 120.570 -0.204 0.000 2.436 231 I HA 0.138 4.104 4.170 -0.340 0.000 0.289 231 I C -0.697 175.386 176.117 -0.056 0.000 1.083 231 I CA -0.177 60.985 61.300 -0.229 0.000 1.372 231 I CB 0.332 38.115 38.000 -0.361 0.000 1.408 231 I HN 0.092 nan 8.210 nan 0.000 0.516 232 V N 6.794 126.720 119.914 0.019 0.000 2.568 232 V HA 0.289 4.205 4.120 -0.340 0.000 0.276 232 V C 0.142 176.254 176.094 0.030 0.000 1.002 232 V CA -0.629 61.681 62.300 0.016 0.000 0.879 232 V CB 1.079 32.914 31.823 0.020 0.000 1.040 232 V HN 0.947 nan 8.190 nan 0.000 0.457 233 N N 3.634 122.344 118.700 0.017 0.000 2.932 233 N HA -0.116 4.420 4.740 -0.340 0.000 0.247 233 N C -0.045 175.488 175.510 0.038 0.000 1.101 233 N CA 1.433 54.496 53.050 0.023 0.000 0.672 233 N CB -0.631 37.871 38.487 0.024 0.000 0.985 233 N HN 1.913 nan 8.380 nan 0.000 0.561 234 G N 0.130 108.949 108.800 0.032 0.000 2.719 234 G HA2 -0.155 3.601 3.960 -0.340 0.000 0.686 234 G HA3 -0.155 3.601 3.960 -0.340 0.000 0.686 234 G C 0.562 175.516 174.900 0.089 0.000 1.201 234 G CA -0.212 44.917 45.100 0.048 0.000 0.768 234 G HN 0.189 nan 8.290 nan 0.000 0.629 235 L N 1.144 122.423 121.223 0.093 0.000 2.291 235 L HA 0.054 4.190 4.340 -0.340 0.000 0.214 235 L C 3.177 180.172 176.870 0.209 0.000 1.120 235 L CA 2.659 57.602 54.840 0.171 0.000 0.799 235 L CB -1.872 40.264 42.059 0.128 0.000 0.925 235 L HN 1.017 nan 8.230 nan 0.000 0.446 236 A N 0.179 123.080 122.820 0.135 0.000 1.858 236 A HA -0.196 3.920 4.320 -0.340 0.000 0.216 236 A C 2.000 179.660 177.584 0.126 0.000 1.190 236 A CA 1.751 53.856 52.037 0.113 0.000 0.617 236 A CB -0.446 18.600 19.000 0.078 0.000 0.827 236 A HN 0.305 nan 8.150 nan 0.000 0.443 237 D N -1.755 118.721 120.400 0.126 0.000 2.144 237 D HA -0.143 4.293 4.640 -0.340 0.000 0.199 237 D C 1.651 178.051 176.300 0.168 0.000 0.984 237 D CA 1.407 55.479 54.000 0.121 0.000 0.834 237 D CB -0.439 40.421 40.800 0.100 0.000 0.955 237 D HN 0.572 nan 8.370 nan 0.000 0.465 238 Y N 1.675 122.022 120.300 0.078 0.000 2.145 238 Y HA -0.194 4.152 4.550 -0.340 0.000 0.286 238 Y C 2.219 178.219 175.900 0.165 0.000 1.145 238 Y CA 1.579 59.743 58.100 0.107 0.000 1.148 238 Y CB -0.579 37.952 38.460 0.118 0.000 0.981 238 Y HN -0.049 nan 8.280 nan 0.000 0.507 239 A N 1.038 123.933 122.820 0.124 0.000 1.851 239 A HA -0.245 3.871 4.320 -0.340 0.000 0.216 239 A C 2.480 180.094 177.584 0.049 0.000 1.195 239 A CA 2.056 54.126 52.037 0.055 0.000 0.622 239 A CB -1.011 18.051 19.000 0.104 0.000 0.831 239 A HN 0.534 nan 8.150 nan 0.000 0.444 240 R N -0.187 120.352 120.500 0.066 0.000 2.094 240 R HA -0.229 3.907 4.340 -0.340 0.000 0.239 240 R C 1.808 178.138 176.300 0.051 0.000 1.137 240 R CA 2.201 58.339 56.100 0.063 0.000 0.943 240 R CB -0.551 29.789 30.300 0.067 0.000 0.850 240 R HN 0.552 nan 8.270 nan 0.000 0.433 241 N N -0.323 118.398 118.700 0.034 0.000 2.205 241 N HA -0.197 4.339 4.740 -0.340 0.000 0.186 241 N C 1.389 176.808 175.510 -0.152 0.000 1.015 241 N CA 1.393 54.445 53.050 0.004 0.000 0.862 241 N CB -0.406 38.093 38.487 0.019 0.000 0.986 241 N HN 0.399 nan 8.380 nan 0.000 0.429 242 Y N 0.552 120.683 120.300 -0.282 0.000 2.243 242 Y HA -0.021 4.326 4.550 -0.339 0.000 0.293 242 Y C 2.297 178.063 175.900 -0.223 0.000 1.124 242 Y CA 0.847 58.739 58.100 -0.346 0.000 1.159 242 Y CB -0.015 38.193 38.460 -0.421 0.000 1.008 242 Y HN 0.081 nan 8.280 nan 0.000 0.527 243 A N -0.121 122.767 122.820 0.113 0.000 1.902 243 A HA -0.294 3.822 4.320 -0.340 0.000 0.217 243 A C 1.991 179.600 177.584 0.041 0.000 1.181 243 A CA 1.983 54.063 52.037 0.071 0.000 0.623 243 A CB -0.834 18.214 19.000 0.079 0.000 0.818 243 A HN 0.524 nan 8.150 nan 0.000 0.443 244 Q N -0.093 119.735 119.800 0.047 0.000 2.084 244 Q HA -0.039 4.097 4.340 -0.340 0.000 0.202 244 Q C 2.053 178.098 176.000 0.074 0.000 0.978 244 Q CA 2.197 58.061 55.803 0.101 0.000 0.844 244 Q CB -0.682 28.169 28.738 0.188 0.000 0.898 244 Q HN 0.555 nan 8.270 nan 0.000 0.426 245 A N 0.857 123.570 122.820 -0.178 0.000 1.908 245 A HA -0.176 3.940 4.320 -0.340 0.000 0.218 245 A C 2.084 179.598 177.584 -0.117 0.000 1.181 245 A CA 1.778 53.572 52.037 -0.405 0.000 0.627 245 A CB -1.134 17.346 19.000 -0.868 0.000 0.818 245 A HN 0.686 nan 8.150 nan 0.000 0.445 246 I N -3.315 117.211 120.570 -0.073 0.000 2.439 246 I HA -0.127 3.839 4.170 -0.340 0.000 0.251 246 I C 2.284 178.403 176.117 0.003 0.000 1.139 246 I CA 1.315 62.577 61.300 -0.062 0.000 1.438 246 I CB -0.354 37.549 38.000 -0.161 0.000 1.085 246 I HN 0.134 nan 8.210 nan 0.000 0.427 247 R N 1.338 121.869 120.500 0.052 0.000 2.075 247 R HA -0.117 4.019 4.340 -0.340 0.000 0.232 247 R C 1.911 178.262 176.300 0.086 0.000 1.126 247 R CA 1.952 58.120 56.100 0.114 0.000 0.963 247 R CB -0.386 29.961 30.300 0.078 0.000 0.858 247 R HN 0.457 nan 8.270 nan 0.000 0.435 248 D N 0.556 121.016 120.400 0.100 0.000 2.144 248 D HA -0.109 4.327 4.640 -0.340 0.000 0.199 248 D C 1.784 178.079 176.300 -0.009 0.000 0.984 248 D CA 1.343 55.386 54.000 0.071 0.000 0.834 248 D CB -0.223 40.723 40.800 0.242 0.000 0.955 248 D HN 0.231 nan 8.370 nan 0.000 0.465 249 A N 0.960 123.795 122.820 0.024 0.000 1.877 249 A HA -0.156 3.960 4.320 -0.340 0.000 0.216 249 A C 2.384 179.948 177.584 -0.033 0.000 1.186 249 A CA 0.967 53.003 52.037 -0.002 0.000 0.620 249 A CB -0.735 18.266 19.000 0.001 0.000 0.822 249 A HN 0.173 nan 8.150 nan 0.000 0.443 250 I N 0.005 120.556 120.570 -0.032 0.000 2.113 250 I HA -0.286 3.681 4.170 -0.340 0.000 0.238 250 I C 2.135 178.195 176.117 -0.093 0.000 1.070 250 I CA 1.414 62.677 61.300 -0.062 0.000 1.332 250 I CB -0.569 37.394 38.000 -0.062 0.000 1.044 250 I HN 0.323 nan 8.210 nan 0.000 0.402 251 N N 0.986 119.604 118.700 -0.135 0.000 2.205 251 N HA -0.137 4.400 4.740 -0.340 0.000 0.186 251 N C 1.655 176.944 175.510 -0.369 0.000 1.015 251 N CA 1.235 54.034 53.050 -0.418 0.000 0.862 251 N CB -0.283 37.844 38.487 -0.601 0.000 0.986 251 N HN 0.380 nan 8.380 nan 0.000 0.429 252 L N -0.037 121.085 121.223 -0.169 0.000 2.627 252 L HA 0.124 4.261 4.340 -0.340 0.000 0.233 252 L C 0.948 177.892 176.870 0.123 0.000 1.144 252 L CA 0.072 54.902 54.840 -0.017 0.000 0.892 252 L CB -0.517 41.444 42.059 -0.162 0.000 1.039 252 L HN 0.172 nan 8.230 nan 0.000 0.442 253 G N -0.316 108.500 108.800 0.026 0.000 2.171 253 G HA2 -0.306 3.450 3.960 -0.340 0.000 0.238 253 G HA3 -0.306 3.450 3.960 -0.340 0.000 0.238 253 G C 1.019 175.945 174.900 0.042 0.000 1.039 253 G CA 0.382 45.508 45.100 0.043 0.000 0.759 253 G HN 0.428 nan 8.290 nan 0.000 0.501 254 A N -0.310 122.519 122.820 0.014 0.000 1.908 254 A HA 0.177 4.293 4.320 -0.340 0.000 0.211 254 A C 2.225 179.811 177.584 0.003 0.000 1.225 254 A CA 3.014 55.058 52.037 0.012 0.000 0.689 254 A CB -0.332 18.661 19.000 -0.011 0.000 0.843 254 A HN 1.397 nan 8.150 nan 0.000 0.472 255 K N -4.297 116.089 120.400 -0.023 0.000 3.143 255 K HA -0.127 3.989 4.320 -0.340 0.000 0.344 255 K C -0.502 176.084 176.600 -0.024 0.000 0.677 255 K CA 1.148 57.420 56.287 -0.025 0.000 1.502 255 K CB -1.686 30.808 32.500 -0.010 0.000 1.096 255 K HN 0.518 nan 8.250 nan 0.000 0.511 256 V N 1.939 121.844 119.914 -0.015 0.000 2.686 256 V HA 0.573 4.489 4.120 -0.340 0.000 0.306 256 V C -0.577 175.511 176.094 -0.010 0.000 1.065 256 V CA -0.667 61.626 62.300 -0.011 0.000 0.894 256 V CB 2.229 34.052 31.823 -0.001 0.000 1.004 256 V HN 0.165 nan 8.190 nan 0.000 0.424 257 I N 4.440 125.001 120.570 -0.016 0.000 2.468 257 I HA 0.439 4.405 4.170 -0.340 0.000 0.285 257 I C -0.257 175.857 176.117 -0.004 0.000 1.039 257 I CA -0.435 60.855 61.300 -0.017 0.000 1.074 257 I CB 1.855 39.824 38.000 -0.052 0.000 1.228 257 I HN 0.575 nan 8.210 nan 0.000 0.436 261 F N 3.898 123.946 119.950 0.163 0.000 2.798 261 F HA 0.436 4.759 4.527 -0.340 0.000 0.291 261 F C 1.836 177.699 175.800 0.105 0.000 1.174 261 F CA 0.350 58.492 58.000 0.237 0.000 1.392 261 F CB 0.065 39.199 39.000 0.224 0.000 0.966 261 F HN 0.998 nan 8.300 nan 0.000 0.509 262 G N 1.237 110.117 108.800 0.133 0.000 2.685 262 G HA2 -0.358 3.399 3.960 -0.340 0.000 0.329 262 G HA3 -0.358 3.399 3.960 -0.340 0.000 0.329 262 G C 0.392 175.327 174.900 0.058 0.000 1.271 262 G CA 0.254 45.380 45.100 0.043 0.000 1.003 262 G HN 0.377 nan 8.290 nan 0.000 0.549 263 N N 2.503 121.219 118.700 0.027 0.000 2.949 263 N HA 0.476 5.012 4.740 -0.340 0.000 0.243 263 N C 1.291 176.814 175.510 0.022 0.000 1.113 263 N CA 0.621 53.684 53.050 0.022 0.000 0.980 263 N CB 0.854 39.340 38.487 -0.001 0.000 1.256 263 N HN 0.921 nan 8.380 nan 0.000 0.508 264 A N 2.641 125.491 122.820 0.050 0.000 2.892 264 A HA -0.163 3.953 4.320 -0.340 0.000 0.300 264 A C 1.429 179.010 177.584 -0.006 0.000 0.747 264 A CA 2.705 54.756 52.037 0.024 0.000 1.284 264 A CB -1.091 17.905 19.000 -0.006 0.000 0.659 264 A HN 1.260 nan 8.150 nan 0.000 0.469 265 A N -3.664 119.160 122.820 0.006 0.000 3.031 265 A HA -0.126 3.990 4.320 -0.340 0.000 0.244 265 A C 0.834 178.422 177.584 0.007 0.000 1.341 265 A CA 1.374 53.431 52.037 0.032 0.000 0.943 265 A CB -2.171 16.835 19.000 0.011 0.000 1.122 265 A HN 1.149 nan 8.150 nan 0.000 0.760 266 L N -0.786 120.410 121.223 -0.046 0.000 2.693 266 L HA 0.414 4.550 4.340 -0.340 0.000 0.235 266 L C 1.425 178.199 176.870 -0.160 0.000 1.127 266 L CA 0.297 55.087 54.840 -0.084 0.000 0.914 266 L CB 0.283 42.271 42.059 -0.117 0.000 1.193 266 L HN 0.734 nan 8.230 nan 0.000 0.502 267 A N -0.341 122.357 122.820 -0.203 0.000 2.561 267 A HA 0.022 4.138 4.320 -0.340 0.000 0.251 267 A C 0.128 177.520 177.584 -0.320 0.000 1.062 267 A CA 0.292 52.040 52.037 -0.482 0.000 0.761 267 A CB -0.671 17.963 19.000 -0.610 0.000 0.986 267 A HN 0.487 nan 8.150 nan 0.000 0.510 268 Y N -1.542 118.712 120.300 -0.077 0.000 4.668 268 Y HA -0.261 4.085 4.550 -0.340 0.000 0.234 268 Y C 1.174 177.064 175.900 -0.017 0.000 1.056 268 Y CA 0.433 58.511 58.100 -0.036 0.000 2.025 268 Y CB -2.376 36.089 38.460 0.008 0.000 1.613 268 Y HN 1.143 nan 8.280 nan 0.000 0.653 269 A N 0.860 123.699 122.820 0.031 0.000 2.462 269 A HA 0.419 4.535 4.320 -0.340 0.000 0.243 269 A C 0.526 178.128 177.584 0.031 0.000 1.076 269 A CA 0.241 52.302 52.037 0.040 0.000 0.773 269 A CB 0.164 19.173 19.000 0.015 0.000 1.010 269 A HN 0.413 nan 8.150 nan 0.000 0.493 270 N N 2.121 120.847 118.700 0.043 0.000 2.558 270 N HA 0.407 4.943 4.740 -0.340 0.000 0.233 270 N C -0.351 175.179 175.510 0.034 0.000 1.038 270 N CA -0.447 52.623 53.050 0.032 0.000 0.934 270 N CB -0.038 38.470 38.487 0.036 0.000 1.175 270 N HN 0.597 nan 8.380 nan 0.000 0.512 271 L N 1.144 122.383 121.223 0.025 0.000 2.421 271 L HA 0.775 4.911 4.340 -0.340 0.000 0.263 271 L C -1.805 175.085 176.870 0.034 0.000 1.122 271 L CA -1.915 52.951 54.840 0.043 0.000 0.804 271 L CB 0.089 42.177 42.059 0.048 0.000 1.150 271 L HN 0.296 nan 8.230 nan 0.000 0.457 272 P HA -0.042 nan 4.420 nan 0.000 0.268 272 P C -0.126 177.195 177.300 0.035 0.000 1.208 272 P CA -0.086 63.038 63.100 0.041 0.000 0.777 272 P CB 0.465 32.195 31.700 0.050 0.000 0.875 273 D N 1.143 121.561 120.400 0.030 0.000 2.403 273 D HA -0.152 4.284 4.640 -0.340 0.000 0.227 273 D C 0.779 177.105 176.300 0.043 0.000 0.995 273 D CA 0.796 54.814 54.000 0.029 0.000 0.928 273 D CB -0.107 40.708 40.800 0.024 0.000 0.887 273 D HN 0.503 nan 8.370 nan 0.000 0.529 274 E N 0.531 120.761 120.200 0.051 0.000 2.033 274 E HA -0.097 4.049 4.350 -0.340 0.000 0.189 274 E C 1.945 178.600 176.600 0.092 0.000 0.979 274 E CA 1.190 57.626 56.400 0.061 0.000 0.802 274 E CB -0.195 29.540 29.700 0.058 0.000 0.763 274 E HN 0.194 nan 8.360 nan 0.000 0.449 275 T N 2.420 117.036 114.554 0.102 0.000 2.665 275 T HA -0.248 3.898 4.350 -0.340 0.000 0.268 275 T C 1.854 176.716 174.700 0.271 0.000 1.035 275 T CA 2.117 64.322 62.100 0.175 0.000 1.151 275 T CB -0.306 68.632 68.868 0.118 0.000 0.862 275 T HN 0.290 nan 8.240 nan 0.000 0.438 276 K N 1.586 122.062 120.400 0.127 0.000 2.026 276 K HA -0.133 3.983 4.320 -0.340 0.000 0.208 276 K C 2.315 179.025 176.600 0.183 0.000 1.048 276 K CA 1.587 57.937 56.287 0.105 0.000 0.929 276 K CB -0.282 32.228 32.500 0.016 0.000 0.713 276 K HN 0.217 nan 8.250 nan 0.000 0.439 277 K N 1.113 121.594 120.400 0.134 0.000 2.074 277 K HA -0.166 3.951 4.320 -0.340 0.000 0.209 277 K C 2.267 178.968 176.600 0.168 0.000 1.048 277 K CA 1.407 57.768 56.287 0.122 0.000 0.926 277 K CB -0.303 32.240 32.500 0.072 0.000 0.713 277 K HN 0.302 nan 8.250 nan 0.000 0.444 278 A N 0.381 123.308 122.820 0.179 0.000 1.908 278 A HA -0.145 3.972 4.320 -0.340 0.000 0.218 278 A C 1.917 179.588 177.584 0.145 0.000 1.181 278 A CA 1.447 53.574 52.037 0.151 0.000 0.627 278 A CB -0.765 18.288 19.000 0.089 0.000 0.818 278 A HN 0.368 nan 8.150 nan 0.000 0.445 279 F N 0.636 120.623 119.950 0.063 0.000 2.163 279 F HA -0.109 4.215 4.527 -0.339 0.000 0.297 279 F C 2.147 177.978 175.800 0.052 0.000 1.094 279 F CA 1.528 59.553 58.000 0.041 0.000 1.290 279 F CB -0.311 38.694 39.000 0.009 0.000 1.017 279 F HN 0.240 nan 8.300 nan 0.000 0.483 280 D N -1.023 119.534 120.400 0.260 0.000 2.182 280 D HA -0.240 4.196 4.640 -0.340 0.000 0.201 280 D C 1.949 178.349 176.300 0.167 0.000 0.986 280 D CA 1.227 55.330 54.000 0.171 0.000 0.847 280 D CB -0.461 40.423 40.800 0.140 0.000 0.942 280 D HN 0.318 nan 8.370 nan 0.000 0.467 281 Y N 1.873 122.201 120.300 0.047 0.000 2.163 281 Y HA -0.063 4.283 4.550 -0.339 0.000 0.288 281 Y C 2.344 178.244 175.900 -0.000 0.000 1.136 281 Y CA 1.280 59.390 58.100 0.017 0.000 1.147 281 Y CB -0.561 37.903 38.460 0.006 0.000 0.987 281 Y HN -0.076 nan 8.280 nan 0.000 0.509 282 A N 0.606 123.345 122.820 -0.135 0.000 1.933 282 A HA -0.214 3.903 4.320 -0.340 0.000 0.218 282 A C 2.363 179.857 177.584 -0.151 0.000 1.175 282 A CA 1.907 53.803 52.037 -0.234 0.000 0.628 282 A CB -0.794 18.104 19.000 -0.170 0.000 0.814 282 A HN 0.518 nan 8.150 nan 0.000 0.444 283 K N 0.395 120.768 120.400 -0.046 0.000 2.057 283 K HA -0.165 3.951 4.320 -0.340 0.000 0.207 283 K C 2.272 178.849 176.600 -0.039 0.000 1.049 283 K CA 1.879 58.159 56.287 -0.012 0.000 0.931 283 K CB -0.233 32.293 32.500 0.043 0.000 0.714 283 K HN 0.598 nan 8.250 nan 0.000 0.440 284 S N 0.229 115.901 115.700 -0.046 0.000 2.423 284 S HA -0.031 4.235 4.470 -0.340 0.000 0.231 284 S C 1.373 175.916 174.600 -0.095 0.000 1.014 284 S CA 0.724 58.900 58.200 -0.041 0.000 0.965 284 S CB 0.018 63.224 63.200 0.010 0.000 0.785 284 S HN 0.167 nan 8.310 nan 0.000 0.495 285 K N 0.977 121.261 120.400 -0.193 0.000 2.410 285 K HA 0.295 4.412 4.320 -0.340 0.000 0.200 285 K C 1.217 177.741 176.600 -0.127 0.000 1.023 285 K CA 0.459 56.624 56.287 -0.203 0.000 1.149 285 K CB -0.377 31.895 32.500 -0.381 0.000 0.859 285 K HN 0.565 nan 8.250 nan 0.000 0.514 286 G N 1.287 110.034 108.800 -0.088 0.000 2.225 286 G HA2 -0.241 3.515 3.960 -0.340 0.000 0.267 286 G HA3 -0.241 3.515 3.960 -0.340 0.000 0.267 286 G C 0.024 174.889 174.900 -0.058 0.000 1.024 286 G CA 0.305 45.374 45.100 -0.052 0.000 0.784 286 G HN 0.145 nan 8.290 nan 0.000 0.507 287 V N 1.575 121.437 119.914 -0.087 0.000 2.364 287 V HA 0.596 4.512 4.120 -0.340 0.000 0.272 287 V C 0.900 176.960 176.094 -0.057 0.000 1.036 287 V CA -0.025 62.225 62.300 -0.082 0.000 0.880 287 V CB 1.524 33.270 31.823 -0.128 0.000 0.991 287 V HN 0.872 nan 8.190 nan 0.000 0.460 288 S N 6.536 122.216 115.700 -0.033 0.000 2.537 288 S HA 0.675 4.941 4.470 -0.340 0.000 0.275 288 S C -0.581 174.013 174.600 -0.010 0.000 1.272 288 S CA -0.598 57.596 58.200 -0.009 0.000 1.050 288 S CB 0.852 64.052 63.200 0.000 0.000 0.961 288 S HN 0.505 nan 8.310 nan 0.000 0.496 289 I N 3.344 123.924 120.570 0.017 0.000 2.355 289 I HA 0.382 4.348 4.170 -0.340 0.000 0.288 289 I C -0.882 175.282 176.117 0.077 0.000 0.999 289 I CA -0.959 60.355 61.300 0.023 0.000 1.163 289 I CB 1.735 39.735 38.000 -0.000 0.000 1.316 289 I HN 0.423 nan 8.210 nan 0.000 0.454 290 V N 4.780 124.729 119.914 0.058 0.000 2.513 290 V HA 0.595 4.511 4.120 -0.340 0.000 0.299 290 V C -0.000 176.142 176.094 0.081 0.000 1.035 290 V CA -0.381 61.959 62.300 0.067 0.000 0.889 290 V CB 1.976 33.824 31.823 0.043 0.000 0.988 290 V HN 0.787 nan 8.190 nan 0.000 0.440 291 T N 2.142 116.757 114.554 0.101 0.000 2.883 291 T HA 0.482 4.628 4.350 -0.340 0.000 0.296 291 T C -0.320 174.440 174.700 0.100 0.000 1.117 291 T CA -0.305 61.872 62.100 0.129 0.000 1.006 291 T CB 1.900 70.914 68.868 0.244 0.000 1.191 291 T HN 0.658 nan 8.240 nan 0.000 0.508 292 S N 1.457 117.218 115.700 0.102 0.000 2.580 292 S HA 0.477 4.743 4.470 -0.340 0.000 0.274 292 S C 1.396 176.031 174.600 0.058 0.000 1.329 292 S CA -0.150 58.092 58.200 0.069 0.000 1.036 292 S CB 1.209 64.445 63.200 0.061 0.000 0.919 292 S HN 0.838 nan 8.310 nan 0.000 0.515 293 A N 1.994 124.834 122.820 0.033 0.000 2.067 293 A HA 0.496 4.612 4.320 -0.340 0.000 0.217 293 A C 1.150 178.740 177.584 0.010 0.000 1.156 293 A CA 0.662 52.706 52.037 0.011 0.000 0.683 293 A CB -0.981 18.015 19.000 -0.005 0.000 0.808 293 A HN 1.682 nan 8.150 nan 0.000 0.455 294 G N -1.033 107.783 108.800 0.026 0.000 2.788 294 G HA2 -0.093 3.663 3.960 -0.340 0.000 0.686 294 G HA3 -0.093 3.663 3.960 -0.340 0.000 0.686 294 G C -0.297 174.636 174.900 0.054 0.000 1.147 294 G CA -0.149 44.972 45.100 0.034 0.000 0.755 294 G HN 0.206 nan 8.290 nan 0.000 0.634 295 N N 0.160 118.902 118.700 0.070 0.000 2.205 295 N HA 0.125 4.661 4.740 -0.340 0.000 0.201 295 N C 0.037 175.640 175.510 0.156 0.000 1.128 295 N CA 0.411 53.524 53.050 0.105 0.000 0.867 295 N CB 0.913 39.448 38.487 0.080 0.000 0.996 295 N HN 0.573 nan 8.380 nan 0.000 0.503 296 D N -0.080 120.395 120.400 0.126 0.000 2.613 296 D HA 0.253 4.689 4.640 -0.340 0.000 0.312 296 D C -0.312 176.082 176.300 0.157 0.000 1.202 296 D CA -0.151 53.917 54.000 0.114 0.000 0.825 296 D CB 0.110 40.909 40.800 -0.002 0.000 1.113 296 D HN -0.223 nan 8.370 nan 0.000 0.502 297 S N -0.503 115.362 115.700 0.276 0.000 2.572 297 S HA 0.111 4.377 4.470 -0.340 0.000 0.228 297 S C 0.608 175.453 174.600 0.409 0.000 0.963 297 S CA -0.503 57.872 58.200 0.292 0.000 0.939 297 S CB 0.194 63.564 63.200 0.283 0.000 0.804 297 S HN 0.439 nan 8.310 nan 0.000 0.480 298 S N 0.952 116.900 115.700 0.414 0.000 2.525 298 S HA 0.634 4.900 4.470 -0.340 0.000 0.290 298 S C -0.388 174.423 174.600 0.352 0.000 1.152 298 S CA -0.746 57.671 58.200 0.362 0.000 1.072 298 S CB 0.652 64.001 63.200 0.247 0.000 1.027 298 S HN 0.241 nan 8.310 nan 0.000 0.500 299 F N 2.765 122.878 119.950 0.271 0.000 2.612 299 F HA 0.387 4.711 4.527 -0.339 0.000 0.389 299 F C 1.568 177.555 175.800 0.311 0.000 1.055 299 F CA 1.855 60.029 58.000 0.289 0.000 1.232 299 F CB -0.189 38.944 39.000 0.221 0.000 1.044 299 F HN 1.146 nan 8.300 nan 0.000 0.560 300 G N 2.645 111.502 108.800 0.095 0.000 2.213 300 G HA2 0.091 3.847 3.960 -0.340 0.000 0.236 300 G HA3 0.091 3.847 3.960 -0.340 0.000 0.236 300 G C 0.724 175.747 174.900 0.204 0.000 0.991 300 G CA 0.091 45.413 45.100 0.369 0.000 0.629 300 G HN 2.146 nan 8.290 nan 0.000 0.517 301 G N -0.589 108.289 108.800 0.130 0.000 2.781 301 G HA2 0.003 3.759 3.960 -0.340 0.000 0.683 301 G HA3 0.003 3.759 3.960 -0.340 0.000 0.683 301 G C 0.457 175.255 174.900 -0.170 0.000 1.390 301 G CA 0.532 45.614 45.100 -0.030 0.000 0.850 301 G HN 0.954 nan 8.290 nan 0.000 0.557 302 K N -0.726 119.357 120.400 -0.528 0.000 2.360 302 K HA -0.038 4.079 4.320 -0.340 0.000 0.201 302 K C 2.466 178.701 176.600 -0.609 0.000 1.046 302 K CA 1.601 57.226 56.287 -1.104 0.000 0.940 302 K CB -0.125 31.636 32.500 -1.232 0.000 0.748 302 K HN 0.436 nan 8.250 nan 0.000 0.465 303 T N 0.405 114.776 114.554 -0.305 0.000 3.067 303 T HA 0.048 4.195 4.350 -0.340 0.000 0.261 303 T C 0.582 175.252 174.700 -0.050 0.000 1.110 303 T CA 0.620 62.646 62.100 -0.122 0.000 1.113 303 T CB 0.187 69.018 68.868 -0.062 0.000 0.917 303 T HN 0.198 nan 8.240 nan 0.000 0.499 304 R N -0.687 119.804 120.500 -0.015 0.000 3.150 304 R HA 0.793 4.929 4.340 -0.340 0.000 0.236 304 R C -1.249 175.112 176.300 0.103 0.000 1.469 304 R CA -0.921 55.178 56.100 -0.000 0.000 1.045 304 R CB 1.167 31.457 30.300 -0.017 0.000 1.481 304 R HN 0.035 nan 8.270 nan 0.000 0.506 305 L N 0.677 121.941 121.223 0.068 0.000 2.434 305 L HA 0.491 4.628 4.340 -0.340 0.000 0.260 305 L C -2.581 174.468 176.870 0.299 0.000 0.983 305 L CA -2.331 52.579 54.840 0.117 0.000 0.820 305 L CB 2.768 44.799 42.059 -0.046 0.000 1.361 305 L HN 0.254 nan 8.230 nan 0.000 0.410 306 P HA 0.205 nan 4.420 nan 0.000 0.271 306 P C -0.837 176.725 177.300 0.437 0.000 1.218 306 P CA -0.243 63.039 63.100 0.304 0.000 0.780 306 P CB 0.572 32.288 31.700 0.025 0.000 0.901 307 L N 1.764 123.196 121.223 0.347 0.000 2.380 307 L HA 0.202 4.339 4.340 -0.340 0.000 0.273 307 L C 1.688 178.598 176.870 0.067 0.000 1.138 307 L CA -0.250 54.727 54.840 0.229 0.000 0.832 307 L CB 0.530 42.717 42.059 0.213 0.000 1.124 307 L HN 0.459 nan 8.230 nan 0.000 0.454 308 A N 1.966 124.573 122.820 -0.355 0.000 2.076 308 A HA -0.181 3.935 4.320 -0.340 0.000 0.220 308 A C 1.464 178.798 177.584 -0.417 0.000 1.160 308 A CA 1.696 53.198 52.037 -0.893 0.000 0.653 308 A CB -0.472 18.122 19.000 -0.676 0.000 0.801 308 A HN 0.906 nan 8.150 nan 0.000 0.455 309 D N -1.790 118.453 120.400 -0.262 0.000 2.342 309 D HA -0.012 4.424 4.640 -0.340 0.000 0.221 309 D C -0.238 175.792 176.300 -0.451 0.000 1.101 309 D CA 0.082 53.896 54.000 -0.310 0.000 0.837 309 D CB -0.422 40.146 40.800 -0.386 0.000 0.938 309 D HN 0.511 nan 8.370 nan 0.000 0.508 310 H N 1.133 120.287 119.070 0.140 0.000 2.448 310 H HA 0.200 4.553 4.556 -0.339 0.000 0.237 310 H C -1.817 173.694 175.328 0.305 0.000 1.391 310 H CA -1.169 54.930 56.048 0.085 0.000 1.477 310 H CB 1.625 31.324 29.762 -0.105 0.000 1.520 310 H HN 0.065 nan 8.280 nan 0.000 0.502 311 P HA -0.102 nan 4.420 nan 0.000 0.234 311 P C 0.526 177.891 177.300 0.109 0.000 1.167 311 P CA 0.683 64.006 63.100 0.372 0.000 0.763 311 P CB 0.472 32.392 31.700 0.367 0.000 0.835 312 D N 0.525 120.935 120.400 0.017 0.000 2.558 312 D HA -0.006 4.430 4.640 -0.340 0.000 0.221 312 D C 0.279 176.608 176.300 0.049 0.000 1.143 312 D CA -0.818 53.199 54.000 0.029 0.000 1.010 312 D CB -0.626 40.050 40.800 -0.206 0.000 1.068 312 D HN 0.220 nan 8.370 nan 0.000 0.511 313 Y N 0.250 120.612 120.300 0.103 0.000 2.531 313 Y HA 0.506 4.852 4.550 -0.341 0.000 0.249 313 Y C 0.810 176.823 175.900 0.187 0.000 1.168 313 Y CA -1.188 56.979 58.100 0.112 0.000 1.226 313 Y CB -0.191 38.259 38.460 -0.017 0.000 1.177 313 Y HN 0.087 nan 8.280 nan 0.000 0.527 314 G N 1.160 110.038 108.800 0.130 0.000 2.403 314 G HA2 0.459 4.215 3.960 -0.340 0.000 0.259 314 G HA3 0.459 4.215 3.960 -0.340 0.000 0.259 314 G C -1.161 173.906 174.900 0.278 0.000 1.244 314 G CA -0.349 44.900 45.100 0.248 0.000 0.849 314 G HN 0.110 nan 8.290 nan 0.000 0.532 315 V N 3.210 123.270 119.914 0.243 0.000 2.350 315 V HA 0.186 4.102 4.120 -0.340 0.000 0.285 315 V C 0.065 176.135 176.094 -0.040 0.000 1.014 315 V CA -0.678 61.690 62.300 0.113 0.000 0.831 315 V CB 1.499 33.298 31.823 -0.040 0.000 1.000 315 V HN 0.517 nan 8.190 nan 0.000 0.433 316 V N 4.925 124.764 119.914 -0.125 0.000 2.389 316 V HA 0.289 4.206 4.120 -0.340 0.000 0.264 316 V C 1.491 177.266 176.094 -0.533 0.000 1.049 316 V CA 0.707 62.844 62.300 -0.272 0.000 0.932 316 V CB 1.015 32.717 31.823 -0.201 0.000 1.011 316 V HN 0.964 nan 8.190 nan 0.000 0.475 317 G N 3.922 112.508 108.800 -0.356 0.000 2.464 317 G HA2 -0.062 3.694 3.960 -0.340 0.000 0.217 317 G HA3 -0.062 3.694 3.960 -0.340 0.000 0.217 317 G C 0.810 175.463 174.900 -0.412 0.000 1.138 317 G CA 0.767 45.648 45.100 -0.364 0.000 0.793 317 G HN 0.690 nan 8.290 nan 0.000 0.539 318 T N 0.910 115.217 114.554 -0.412 0.000 2.817 318 T HA 0.526 4.673 4.350 -0.340 0.000 0.293 318 T C -2.346 172.067 174.700 -0.479 0.000 0.964 318 T CA -1.921 59.838 62.100 -0.568 0.000 1.085 318 T CB 2.031 70.620 68.868 -0.465 0.000 0.921 318 T HN -0.007 nan 8.240 nan 0.000 0.502 319 P HA 0.105 nan 4.420 nan 0.000 0.266 319 P C 0.880 178.024 177.300 -0.259 0.000 1.193 319 P CA -0.197 62.719 63.100 -0.307 0.000 0.770 319 P CB 0.538 32.094 31.700 -0.240 0.000 0.836 320 A N 3.691 126.410 122.820 -0.169 0.000 1.933 320 A HA -0.060 4.057 4.320 -0.340 0.000 0.218 320 A C 1.934 179.408 177.584 -0.183 0.000 1.175 320 A CA 1.644 53.596 52.037 -0.141 0.000 0.628 320 A CB -1.270 17.693 19.000 -0.060 0.000 0.814 320 A HN 0.624 nan 8.150 nan 0.000 0.444 321 A N -1.084 121.633 122.820 -0.173 0.000 2.426 321 A HA 0.569 4.686 4.320 -0.340 0.000 0.247 321 A C 1.320 178.680 177.584 -0.373 0.000 1.389 321 A CA 0.939 52.856 52.037 -0.200 0.000 1.129 321 A CB -0.895 18.040 19.000 -0.107 0.000 0.928 321 A HN 0.875 nan 8.150 nan 0.000 0.557 322 A N -0.690 121.818 122.820 -0.520 0.000 1.989 322 A HA 0.430 4.546 4.320 -0.340 0.000 0.201 322 A C 0.570 177.467 177.584 -1.145 0.000 1.720 322 A CA 0.643 52.106 52.037 -0.957 0.000 0.956 322 A CB -0.008 18.727 19.000 -0.440 0.000 1.094 322 A HN 0.436 nan 8.150 nan 0.000 0.561 323 D N 1.128 121.226 120.400 -0.504 0.000 3.478 323 D HA -0.103 4.333 4.640 -0.340 0.000 0.219 323 D C 0.015 176.224 176.300 -0.152 0.000 1.143 323 D CA 0.774 54.606 54.000 -0.279 0.000 1.047 323 D CB -0.830 39.837 40.800 -0.221 0.000 0.820 323 D HN 0.314 nan 8.370 nan 0.000 0.393 324 S N 1.860 117.563 115.700 0.006 0.000 2.634 324 S HA 0.261 4.527 4.470 -0.340 0.000 0.261 324 S C 1.784 176.452 174.600 0.114 0.000 1.271 324 S CA -0.187 58.118 58.200 0.175 0.000 0.985 324 S CB 1.193 64.493 63.200 0.167 0.000 0.968 324 S HN 0.501 nan 8.310 nan 0.000 0.568 325 T N 0.901 115.528 114.554 0.122 0.000 2.812 325 T HA 0.124 4.271 4.350 -0.340 0.000 0.264 325 T C 0.310 175.040 174.700 0.051 0.000 1.042 325 T CA 1.052 63.196 62.100 0.073 0.000 1.140 325 T CB -0.253 68.649 68.868 0.057 0.000 0.870 325 T HN 0.309 nan 8.240 nan 0.000 0.445 326 L N 0.631 121.888 121.223 0.057 0.000 2.464 326 L HA 0.393 4.529 4.340 -0.340 0.000 0.266 326 L C -0.939 175.962 176.870 0.051 0.000 0.965 326 L CA -0.682 54.185 54.840 0.045 0.000 0.833 326 L CB 2.614 44.698 42.059 0.041 0.000 1.296 326 L HN -0.136 nan 8.230 nan 0.000 0.405 327 T N 2.374 116.950 114.554 0.037 0.000 2.756 327 T HA 0.470 4.616 4.350 -0.340 0.000 0.290 327 T C -0.248 174.471 174.700 0.032 0.000 0.985 327 T CA -0.367 61.754 62.100 0.035 0.000 0.955 327 T CB 1.384 70.259 68.868 0.011 0.000 0.930 327 T HN 0.155 nan 8.240 nan 0.000 0.451 328 V N 3.038 122.977 119.914 0.041 0.000 2.394 328 V HA 0.725 4.641 4.120 -0.340 0.000 0.282 328 V C 0.495 176.612 176.094 0.039 0.000 1.031 328 V CA -1.024 61.302 62.300 0.044 0.000 0.881 328 V CB 1.167 33.021 31.823 0.053 0.000 0.982 328 V HN 1.026 nan 8.190 nan 0.000 0.451 329 A N 3.624 126.467 122.820 0.038 0.000 2.304 329 A HA 0.755 4.871 4.320 -0.340 0.000 0.301 329 A C 0.188 177.820 177.584 0.080 0.000 1.132 329 A CA -0.288 51.767 52.037 0.029 0.000 0.819 329 A CB 1.269 20.260 19.000 -0.015 0.000 1.094 329 A HN 0.767 nan 8.150 nan 0.000 0.492 330 S N -0.088 115.653 115.700 0.069 0.000 2.593 330 S HA 0.804 5.070 4.470 -0.340 0.000 0.297 330 S C -1.020 173.666 174.600 0.143 0.000 1.112 330 S CA -0.399 57.852 58.200 0.086 0.000 1.043 330 S CB 0.704 63.919 63.200 0.025 0.000 1.054 330 S HN 1.278 nan 8.310 nan 0.000 0.516 331 Y N 0.199 120.483 120.300 -0.026 0.000 2.609 331 Y HA 0.683 5.030 4.550 -0.337 0.000 0.336 331 Y C -0.742 175.170 175.900 0.021 0.000 1.129 331 Y CA -1.050 57.032 58.100 -0.030 0.000 1.040 331 Y CB 0.879 39.272 38.460 -0.113 0.000 1.310 331 Y HN 0.454 nan 8.280 nan 0.000 0.460 332 S N 3.919 119.696 115.700 0.129 0.000 2.475 332 S HA 0.647 4.913 4.470 -0.340 0.000 0.281 332 S C -2.652 172.011 174.600 0.105 0.000 1.198 332 S CA -1.475 56.760 58.200 0.059 0.000 1.063 332 S CB 0.480 63.871 63.200 0.318 0.000 0.972 332 S HN 0.531 nan 8.310 nan 0.000 0.486 333 P HA 0.161 nan 4.420 nan 0.000 0.275 333 P C -0.024 177.346 177.300 0.117 0.000 1.266 333 P CA -0.287 62.873 63.100 0.100 0.000 0.793 333 P CB 0.402 32.085 31.700 -0.027 0.000 1.074 334 D N -0.502 119.974 120.400 0.127 0.000 2.363 334 D HA -0.053 4.384 4.640 -0.340 0.000 0.226 334 D C -0.016 176.321 176.300 0.061 0.000 1.020 334 D CA 0.715 54.773 54.000 0.098 0.000 0.892 334 D CB -0.454 40.405 40.800 0.098 0.000 0.900 334 D HN 0.431 nan 8.370 nan 0.000 0.531 335 K N -1.295 119.130 120.400 0.041 0.000 2.557 335 K HA 0.422 4.538 4.320 -0.340 0.000 0.261 335 K C -1.173 175.421 176.600 -0.010 0.000 0.932 335 K CA -0.936 55.361 56.287 0.017 0.000 0.829 335 K CB 1.803 34.310 32.500 0.012 0.000 1.358 335 K HN -0.144 nan 8.250 nan 0.000 0.430 336 Q N 1.814 121.604 119.800 -0.016 0.000 2.501 336 Q HA 0.331 4.467 4.340 -0.340 0.000 0.288 336 Q C -1.220 174.755 176.000 -0.041 0.000 1.051 336 Q CA -1.215 54.560 55.803 -0.047 0.000 0.788 336 Q CB 2.447 31.161 28.738 -0.040 0.000 1.469 336 Q HN 0.604 nan 8.270 nan 0.000 0.416 337 L N 1.443 122.628 121.223 -0.064 0.000 2.380 337 L HA 0.504 4.640 4.340 -0.340 0.000 0.273 337 L C -0.468 176.384 176.870 -0.030 0.000 1.138 337 L CA 1.173 55.984 54.840 -0.049 0.000 0.832 337 L CB 0.900 42.919 42.059 -0.067 0.000 1.124 337 L HN 0.810 nan 8.230 nan 0.000 0.454 338 T N 3.702 118.248 114.554 -0.013 0.000 2.830 338 T HA 0.306 4.453 4.350 -0.340 0.000 0.322 338 T C -0.743 173.965 174.700 0.013 0.000 1.501 338 T CA -0.655 61.449 62.100 0.005 0.000 1.036 338 T CB 1.130 70.006 68.868 0.014 0.000 1.379 338 T HN 0.725 nan 8.240 nan 0.000 0.493 339 E N 1.319 121.538 120.200 0.031 0.000 2.392 339 E HA 0.504 4.650 4.350 -0.340 0.000 0.256 339 E C 0.129 176.741 176.600 0.021 0.000 1.145 339 E CA -0.416 56.011 56.400 0.045 0.000 0.929 339 E CB 0.921 30.673 29.700 0.086 0.000 0.998 339 E HN 0.751 nan 8.360 nan 0.000 0.442 340 T N -2.638 111.917 114.554 0.003 0.000 2.887 340 T HA 0.643 4.789 4.350 -0.340 0.000 0.292 340 T C -0.489 174.118 174.700 -0.154 0.000 1.087 340 T CA -0.941 61.121 62.100 -0.063 0.000 1.009 340 T CB 1.374 70.208 68.868 -0.056 0.000 1.203 340 T HN 0.334 nan 8.240 nan 0.000 0.518 341 V N -0.896 118.861 119.914 -0.261 0.000 2.925 341 V HA 0.915 4.832 4.120 -0.340 0.000 0.311 341 V C -0.810 175.117 176.094 -0.278 0.000 1.104 341 V CA -1.432 60.599 62.300 -0.449 0.000 0.954 341 V CB 1.722 33.075 31.823 -0.782 0.000 1.022 341 V HN 1.353 nan 8.190 nan 0.000 0.427 342 R N 2.665 123.027 120.500 -0.229 0.000 2.670 342 R HA 0.955 5.091 4.340 -0.340 0.000 0.289 342 R C -1.023 175.217 176.300 -0.100 0.000 0.965 342 R CA -0.671 55.350 56.100 -0.132 0.000 0.899 342 R CB 2.197 32.453 30.300 -0.074 0.000 1.173 342 R HN 1.272 nan 8.270 nan 0.000 0.456 343 V N -1.430 118.443 119.914 -0.069 0.000 3.040 343 V HA 0.580 4.496 4.120 -0.340 0.000 0.312 343 V C -0.920 175.167 176.094 -0.012 0.000 1.115 343 V CA -1.308 60.980 62.300 -0.020 0.000 0.998 343 V CB 2.342 34.161 31.823 -0.006 0.000 1.042 343 V HN 0.682 nan 8.190 nan 0.000 0.433 344 K N 2.995 123.399 120.400 0.006 0.000 2.253 344 K HA 0.439 4.556 4.320 -0.340 0.000 0.277 344 K C 0.305 176.903 176.600 -0.003 0.000 1.053 344 K CA -0.066 56.220 56.287 -0.002 0.000 0.892 344 K CB 1.468 33.968 32.500 0.001 0.000 1.102 344 K HN 1.083 nan 8.250 nan 0.000 0.469 345 T N -1.394 113.153 114.554 -0.012 0.000 2.788 345 T HA 0.261 4.407 4.350 -0.340 0.000 0.280 345 T C 1.542 176.233 174.700 -0.014 0.000 0.984 345 T CA -0.391 61.700 62.100 -0.015 0.000 0.972 345 T CB 1.108 69.962 68.868 -0.023 0.000 1.039 345 T HN 0.449 nan 8.240 nan 0.000 0.530 346 A N 0.772 123.582 122.820 -0.017 0.000 2.070 346 A HA -0.075 4.041 4.320 -0.340 0.000 0.220 346 A C 1.742 179.318 177.584 -0.014 0.000 1.159 346 A CA 1.642 53.669 52.037 -0.016 0.000 0.656 346 A CB -1.153 17.836 19.000 -0.018 0.000 0.800 346 A HN 0.967 nan 8.150 nan 0.000 0.453 347 D N -2.672 117.719 120.400 -0.015 0.000 2.363 347 D HA 0.072 4.509 4.640 -0.340 0.000 0.226 347 D C 0.838 177.131 176.300 -0.011 0.000 1.020 347 D CA 0.764 54.756 54.000 -0.013 0.000 0.892 347 D CB -0.149 40.643 40.800 -0.014 0.000 0.900 347 D HN 0.267 nan 8.370 nan 0.000 0.531 348 Q N -1.190 118.603 119.800 -0.011 0.000 2.465 348 Q HA -0.219 3.918 4.340 -0.340 0.000 0.248 348 Q C -0.958 175.036 176.000 -0.010 0.000 0.819 348 Q CA 0.860 56.658 55.803 -0.010 0.000 1.219 348 Q CB -1.990 26.743 28.738 -0.008 0.000 1.472 348 Q HN 0.653 nan 8.270 nan 0.000 0.630 349 Q N -0.087 119.706 119.800 -0.012 0.000 2.241 349 Q HA 0.443 4.579 4.340 -0.340 0.000 0.262 349 Q C -0.728 175.263 176.000 -0.015 0.000 1.014 349 Q CA -0.937 54.859 55.803 -0.013 0.000 0.885 349 Q CB 1.046 29.776 28.738 -0.014 0.000 1.311 349 Q HN 0.168 nan 8.270 nan 0.000 0.461 350 D N 1.528 121.918 120.400 -0.016 0.000 2.256 350 D HA 0.176 4.613 4.640 -0.340 0.000 0.250 350 D C -0.598 175.685 176.300 -0.028 0.000 1.093 350 D CA -0.087 53.900 54.000 -0.021 0.000 0.882 350 D CB 1.248 42.037 40.800 -0.018 0.000 1.185 350 D HN 0.132 nan 8.370 nan 0.000 0.437 351 K N 1.952 122.329 120.400 -0.038 0.000 2.450 351 K HA 0.235 4.352 4.320 -0.340 0.000 0.257 351 K C -0.590 175.971 176.600 -0.066 0.000 0.953 351 K CA -0.549 55.709 56.287 -0.049 0.000 0.844 351 K CB 1.438 33.906 32.500 -0.053 0.000 1.103 351 K HN 0.344 nan 8.250 nan 0.000 0.429 355 V N 1.501 121.415 119.914 -0.000 0.000 3.048 355 V HA 0.774 4.690 4.120 -0.340 0.000 0.303 355 V C -2.065 174.087 176.094 0.096 0.000 1.214 355 V CA -0.615 61.702 62.300 0.028 0.000 0.984 355 V CB 2.414 34.223 31.823 -0.024 0.000 1.054 355 V HN 0.629 nan 8.190 nan 0.000 0.430 356 L N 5.227 126.539 121.223 0.149 0.000 2.345 356 L HA 0.757 4.893 4.340 -0.340 0.000 0.274 356 L C -0.315 176.657 176.870 0.170 0.000 0.999 356 L CA 0.471 55.399 54.840 0.146 0.000 0.849 356 L CB 1.710 43.857 42.059 0.146 0.000 1.220 356 L HN 0.692 nan 8.230 nan 0.000 0.422 357 S N 2.235 118.037 115.700 0.170 0.000 2.475 357 S HA 0.678 4.944 4.470 -0.340 0.000 0.298 357 S C -0.185 174.486 174.600 0.119 0.000 1.119 357 S CA -0.532 57.792 58.200 0.208 0.000 1.085 357 S CB 1.533 64.920 63.200 0.311 0.000 1.028 357 S HN 0.628 nan 8.310 nan 0.000 0.489 358 T N 4.657 119.264 114.554 0.088 0.000 2.794 358 T HA 0.502 4.649 4.350 -0.340 0.000 0.280 358 T C 0.153 174.835 174.700 -0.030 0.000 0.987 358 T CA -0.269 61.844 62.100 0.021 0.000 0.993 358 T CB 0.296 69.167 68.868 0.005 0.000 0.939 358 T HN 0.745 nan 8.240 nan 0.000 0.449 359 N N 1.837 120.509 118.700 -0.047 0.000 6.681 359 N HA -0.163 4.373 4.740 -0.340 0.000 0.407 359 N C -0.517 174.922 175.510 -0.119 0.000 0.934 359 N CA 0.213 53.203 53.050 -0.100 0.000 1.206 359 N CB -0.093 38.298 38.487 -0.160 0.000 0.835 359 N HN 0.623 nan 8.380 nan 0.000 0.310 360 R N -0.626 119.758 120.500 -0.194 0.000 2.673 360 R HA 0.530 4.666 4.340 -0.340 0.000 0.281 360 R C -0.814 175.295 176.300 -0.318 0.000 0.991 360 R CA -0.573 55.433 56.100 -0.158 0.000 0.896 360 R CB 1.078 31.351 30.300 -0.045 0.000 1.201 360 R HN 0.313 nan 8.270 nan 0.000 0.457 361 F N 0.891 120.670 119.950 -0.285 0.000 2.378 361 F HA 0.256 4.579 4.527 -0.339 0.000 0.325 361 F C 0.890 176.638 175.800 -0.087 0.000 1.097 361 F CA -0.534 57.233 58.000 -0.388 0.000 1.079 361 F CB 0.946 39.226 39.000 -1.200 0.000 1.240 361 F HN 0.272 nan 8.300 nan 0.000 0.519 362 E N 3.943 124.329 120.200 0.310 0.000 2.257 362 E HA 0.147 4.294 4.350 -0.340 0.000 0.278 362 E C -2.186 174.592 176.600 0.297 0.000 1.049 362 E CA -1.798 54.746 56.400 0.241 0.000 0.876 362 E CB 0.373 30.181 29.700 0.180 0.000 1.035 362 E HN 0.186 nan 8.360 nan 0.000 0.419 363 P HA -0.005 nan 4.420 nan 0.000 0.272 363 P C -0.642 176.762 177.300 0.174 0.000 1.230 363 P CA -0.227 63.002 63.100 0.214 0.000 0.788 363 P CB 0.471 32.260 31.700 0.148 0.000 0.949 364 N N -1.471 117.330 118.700 0.168 0.000 2.710 364 N HA -0.225 4.311 4.740 -0.340 0.000 0.249 364 N C -0.165 175.400 175.510 0.092 0.000 1.059 364 N CA 1.336 54.454 53.050 0.114 0.000 0.720 364 N CB -1.198 37.334 38.487 0.074 0.000 0.983 364 N HN 0.532 nan 8.380 nan 0.000 0.544 365 K N -0.033 120.442 120.400 0.125 0.000 2.463 365 K HA 0.660 4.776 4.320 -0.340 0.000 0.255 365 K C -0.699 175.906 176.600 0.007 0.000 0.942 365 K CA -0.640 55.648 56.287 0.001 0.000 0.814 365 K CB 1.124 33.556 32.500 -0.114 0.000 1.122 365 K HN 0.121 nan 8.250 nan 0.000 0.425 366 A N 4.257 127.070 122.820 -0.011 0.000 2.491 366 A HA 0.239 4.355 4.320 -0.340 0.000 0.261 366 A C -1.266 176.330 177.584 0.021 0.000 1.101 366 A CA 0.242 52.315 52.037 0.060 0.000 0.772 366 A CB -0.244 18.780 19.000 0.040 0.000 1.043 366 A HN 0.654 nan 8.150 nan 0.000 0.501 367 Y N 1.334 121.740 120.300 0.176 0.000 2.393 367 Y HA 0.329 4.676 4.550 -0.339 0.000 0.341 367 Y C 0.166 176.179 175.900 0.188 0.000 0.988 367 Y CA -0.618 57.604 58.100 0.203 0.000 1.078 367 Y CB 1.727 40.370 38.460 0.304 0.000 1.203 367 Y HN 0.630 nan 8.280 nan 0.000 0.453 368 D N 1.930 122.512 120.400 0.302 0.000 2.283 368 D HA 0.212 4.648 4.640 -0.340 0.000 0.248 368 D C -0.911 175.548 176.300 0.266 0.000 1.072 368 D CA 0.110 54.212 54.000 0.169 0.000 0.929 368 D CB 1.266 42.114 40.800 0.079 0.000 1.182 368 D HN 0.504 nan 8.370 nan 0.000 0.433 369 Y N -1.377 119.006 120.300 0.138 0.000 2.581 369 Y HA 0.753 5.099 4.550 -0.339 0.000 0.345 369 Y C -1.489 174.482 175.900 0.117 0.000 1.036 369 Y CA -1.471 56.711 58.100 0.136 0.000 1.042 369 Y CB 1.257 39.787 38.460 0.115 0.000 1.289 369 Y HN 0.346 nan 8.280 nan 0.000 0.471 370 A N 1.984 125.012 122.820 0.347 0.000 2.422 370 A HA 0.533 4.649 4.320 -0.340 0.000 0.302 370 A C -2.261 175.513 177.584 0.316 0.000 1.041 370 A CA -0.796 51.388 52.037 0.246 0.000 0.708 370 A CB 0.852 19.942 19.000 0.150 0.000 1.257 370 A HN 0.827 nan 8.150 nan 0.000 0.414 371 Y N 2.165 122.553 120.300 0.146 0.000 2.442 371 Y HA 0.390 4.737 4.550 -0.340 0.000 0.330 371 Y C 0.732 176.631 175.900 -0.002 0.000 1.129 371 Y CA 0.194 58.356 58.100 0.103 0.000 1.365 371 Y CB 1.092 39.608 38.460 0.094 0.000 1.233 371 Y HN 0.779 nan 8.280 nan 0.000 0.529 372 A N 5.815 128.326 122.820 -0.515 0.000 2.631 372 A HA 0.278 4.394 4.320 -0.340 0.000 0.294 372 A C 0.646 177.723 177.584 -0.846 0.000 1.156 372 A CA -0.169 51.439 52.037 -0.714 0.000 0.963 372 A CB -0.607 17.850 19.000 -0.904 0.000 1.202 372 A HN 0.989 nan 8.150 nan 0.000 0.523 373 N N 0.198 118.069 118.700 -1.383 0.000 1.175 373 N HA -0.247 4.290 4.740 -0.340 0.000 0.114 373 N C 0.475 175.749 175.510 -0.394 0.000 0.804 373 N CA 1.602 54.156 53.050 -0.826 0.000 0.858 373 N CB -0.644 37.580 38.487 -0.438 0.000 1.032 373 N HN 0.586 nan 8.380 nan 0.000 0.617 374 R N 1.713 122.080 120.500 -0.223 0.000 2.334 374 R HA 0.209 4.346 4.340 -0.340 0.000 0.220 374 R C 1.191 177.438 176.300 -0.089 0.000 0.917 374 R CA 0.684 56.710 56.100 -0.123 0.000 1.073 374 R CB -0.142 30.122 30.300 -0.061 0.000 1.056 374 R HN 0.818 nan 8.270 nan 0.000 0.506 375 G N 0.951 109.628 108.800 -0.205 0.000 2.187 375 G HA2 -0.325 3.432 3.960 -0.340 0.000 0.261 375 G HA3 -0.325 3.432 3.960 -0.340 0.000 0.261 375 G C 0.679 175.654 174.900 0.125 0.000 1.000 375 G CA 1.143 46.178 45.100 -0.107 0.000 0.718 375 G HN 0.375 nan 8.290 nan 0.000 0.519 376 T N -0.086 114.483 114.554 0.026 0.000 3.272 376 T HA 0.416 4.562 4.350 -0.340 0.000 0.250 376 T C 0.554 175.282 174.700 0.046 0.000 1.082 376 T CA 1.154 63.282 62.100 0.046 0.000 0.968 376 T CB -0.385 68.491 68.868 0.013 0.000 1.015 376 T HN 0.933 nan 8.240 nan 0.000 0.563 377 K N 0.121 120.558 120.400 0.061 0.000 2.580 377 K HA 0.293 4.409 4.320 -0.340 0.000 0.258 377 K C -0.901 175.749 176.600 0.084 0.000 0.936 377 K CA -0.915 55.406 56.287 0.056 0.000 0.852 377 K CB 1.046 33.558 32.500 0.021 0.000 1.329 377 K HN 0.015 nan 8.250 nan 0.000 0.430 378 E N 1.501 121.759 120.200 0.097 0.000 2.521 378 E HA -0.188 3.958 4.350 -0.340 0.000 0.270 378 E C -0.492 176.158 176.600 0.083 0.000 1.082 378 E CA 1.586 58.055 56.400 0.115 0.000 0.997 378 E CB 0.278 30.024 29.700 0.076 0.000 0.990 378 E HN 0.757 nan 8.360 nan 0.000 0.458 379 D N 1.089 121.548 120.400 0.098 0.000 2.078 379 D HA -0.181 4.255 4.640 -0.340 0.000 0.169 379 D C 0.636 176.947 176.300 0.019 0.000 1.364 379 D CA 1.416 55.451 54.000 0.057 0.000 1.286 379 D CB -1.177 39.641 40.800 0.030 0.000 1.274 379 D HN 0.542 nan 8.370 nan 0.000 0.522 380 D N -0.882 119.503 120.400 -0.025 0.000 2.149 380 D HA -0.083 4.353 4.640 -0.340 0.000 0.198 380 D C 1.387 177.481 176.300 -0.342 0.000 0.990 380 D CA 0.921 54.775 54.000 -0.243 0.000 0.839 380 D CB -0.292 40.273 40.800 -0.390 0.000 0.948 380 D HN 0.367 nan 8.370 nan 0.000 0.460 381 F N 0.220 120.167 119.950 -0.005 0.000 2.819 381 F HA 0.264 4.587 4.527 -0.340 0.000 0.294 381 F C 1.755 177.569 175.800 0.023 0.000 1.166 381 F CA -0.341 57.667 58.000 0.013 0.000 1.374 381 F CB 0.263 39.274 39.000 0.019 0.000 0.956 381 F HN -0.272 nan 8.300 nan 0.000 0.509 382 K N 0.227 120.707 120.400 0.133 0.000 2.057 382 K HA -0.109 4.007 4.320 -0.340 0.000 0.207 382 K C 0.507 177.162 176.600 0.092 0.000 1.049 382 K CA 1.301 57.648 56.287 0.099 0.000 0.931 382 K CB 0.026 32.562 32.500 0.061 0.000 0.714 382 K HN 0.241 nan 8.250 nan 0.000 0.440 383 D N 0.259 120.710 120.400 0.086 0.000 2.525 383 D HA 0.020 4.456 4.640 -0.340 0.000 0.229 383 D C 0.953 177.318 176.300 0.108 0.000 1.202 383 D CA 0.103 54.152 54.000 0.082 0.000 0.828 383 D CB 0.896 41.734 40.800 0.063 0.000 1.008 383 D HN -0.088 nan 8.370 nan 0.000 0.493 384 V N 0.394 120.397 119.914 0.147 0.000 2.725 384 V HA -0.079 3.837 4.120 -0.340 0.000 0.247 384 V C 1.238 177.425 176.094 0.154 0.000 1.058 384 V CA 0.392 62.803 62.300 0.187 0.000 1.080 384 V CB -0.137 31.868 31.823 0.303 0.000 0.713 384 V HN 0.111 nan 8.190 nan 0.000 0.465 385 K N 0.690 121.162 120.400 0.120 0.000 2.477 385 K HA 0.033 4.150 4.320 -0.340 0.000 0.275 385 K C 1.166 177.824 176.600 0.096 0.000 1.054 385 K CA 0.997 57.340 56.287 0.093 0.000 1.135 385 K CB -0.213 32.328 32.500 0.069 0.000 0.854 385 K HN 0.476 nan 8.250 nan 0.000 0.484 386 G N 3.071 111.930 108.800 0.098 0.000 2.184 386 G HA2 -0.308 3.448 3.960 -0.340 0.000 0.264 386 G HA3 -0.308 3.448 3.960 -0.340 0.000 0.264 386 G C -0.299 174.692 174.900 0.152 0.000 0.975 386 G CA 0.913 46.077 45.100 0.107 0.000 0.642 386 G HN 0.615 nan 8.290 nan 0.000 0.536 387 K N -0.769 119.734 120.400 0.173 0.000 2.346 387 K HA 0.737 4.853 4.320 -0.340 0.000 0.238 387 K C 0.000 176.755 176.600 0.257 0.000 1.039 387 K CA -1.193 55.229 56.287 0.225 0.000 0.861 387 K CB 1.741 34.357 32.500 0.193 0.000 1.278 387 K HN 0.094 nan 8.250 nan 0.000 0.460 388 I N 1.793 122.548 120.570 0.308 0.000 2.395 388 I HA 0.137 4.103 4.170 -0.340 0.000 0.289 388 I C 0.042 176.335 176.117 0.294 0.000 1.023 388 I CA -0.386 61.089 61.300 0.291 0.000 1.350 388 I CB 1.334 39.509 38.000 0.291 0.000 1.409 388 I HN 0.605 nan 8.210 nan 0.000 0.507 389 A N 8.019 131.003 122.820 0.274 0.000 2.309 389 A HA 0.375 4.492 4.320 -0.340 0.000 0.290 389 A C -0.349 177.379 177.584 0.240 0.000 1.206 389 A CA -0.391 51.813 52.037 0.279 0.000 0.850 389 A CB 0.350 19.580 19.000 0.384 0.000 1.118 389 A HN 0.731 nan 8.150 nan 0.000 0.523 390 L N 5.017 126.384 121.223 0.240 0.000 2.260 390 L HA 0.525 4.661 4.340 -0.340 0.000 0.289 390 L C -1.084 175.942 176.870 0.259 0.000 1.057 390 L CA -0.202 54.783 54.840 0.242 0.000 0.811 390 L CB 0.178 42.401 42.059 0.275 0.000 1.184 390 L HN 0.625 nan 8.230 nan 0.000 0.429 391 I N 4.243 124.947 120.570 0.222 0.000 2.545 391 I HA 0.324 4.291 4.170 -0.340 0.000 0.292 391 I C -0.187 175.880 176.117 -0.083 0.000 1.040 391 I CA -0.667 60.682 61.300 0.081 0.000 1.068 391 I CB 2.357 40.410 38.000 0.087 0.000 1.251 391 I HN 0.553 nan 8.210 nan 0.000 0.424 392 E N 5.922 125.945 120.200 -0.296 0.000 2.331 392 E HA 0.218 4.364 4.350 -0.340 0.000 0.272 392 E C -0.196 176.228 176.600 -0.292 0.000 1.036 392 E CA -0.713 55.205 56.400 -0.803 0.000 0.864 392 E CB 1.309 30.637 29.700 -0.621 0.000 1.035 392 E HN 0.485 nan 8.360 nan 0.000 0.408 393 R N 2.385 122.760 120.500 -0.209 0.000 2.643 393 R HA 0.377 4.513 4.340 -0.340 0.000 0.270 393 R C -0.288 176.028 176.300 0.027 0.000 1.061 393 R CA 0.877 57.042 56.100 0.108 0.000 1.107 393 R CB 0.371 30.855 30.300 0.306 0.000 0.999 393 R HN 0.692 nan 8.270 nan 0.000 0.460 394 G N 2.109 110.921 108.800 0.020 0.000 2.335 394 G HA2 0.028 3.784 3.960 -0.340 0.000 0.592 394 G HA3 0.028 3.784 3.960 -0.340 0.000 0.592 394 G C -0.640 174.241 174.900 -0.032 0.000 1.442 394 G CA -0.259 44.831 45.100 -0.016 0.000 0.976 394 G HN 0.684 nan 8.290 nan 0.000 0.652 395 D N -2.041 118.339 120.400 -0.032 0.000 3.958 395 D HA -0.275 4.161 4.640 -0.340 0.000 0.210 395 D C 1.220 177.495 176.300 -0.042 0.000 1.329 395 D CA 2.695 56.678 54.000 -0.028 0.000 2.355 395 D CB -1.224 39.568 40.800 -0.013 0.000 1.233 395 D HN 1.570 nan 8.370 nan 0.000 0.407 396 I N -0.214 120.329 120.570 -0.046 0.000 2.910 396 I HA 0.519 4.485 4.170 -0.340 0.000 0.310 396 I C 0.002 176.048 176.117 -0.119 0.000 1.043 396 I CA -1.051 60.218 61.300 -0.052 0.000 1.053 396 I CB 1.801 39.799 38.000 -0.004 0.000 1.242 396 I HN -0.108 nan 8.210 nan 0.000 0.452 397 D N 2.233 122.559 120.400 -0.123 0.000 2.344 397 D HA 0.136 4.572 4.640 -0.340 0.000 0.244 397 D C 0.671 176.908 176.300 -0.105 0.000 1.134 397 D CA -0.131 53.736 54.000 -0.221 0.000 0.930 397 D CB 0.660 41.375 40.800 -0.141 0.000 1.175 397 D HN 0.617 nan 8.370 nan 0.000 0.437 398 F N -0.244 119.734 119.950 0.047 0.000 2.120 398 F HA -0.203 4.120 4.527 -0.340 0.000 0.300 398 F C 2.622 178.451 175.800 0.049 0.000 1.095 398 F CA 1.362 59.399 58.000 0.062 0.000 1.249 398 F CB -0.292 38.747 39.000 0.065 0.000 0.995 398 F HN 0.397 nan 8.300 nan 0.000 0.480 399 K N 0.673 121.193 120.400 0.200 0.000 2.044 399 K HA -0.246 3.870 4.320 -0.340 0.000 0.210 399 K C 1.578 178.223 176.600 0.075 0.000 1.049 399 K CA 2.205 58.558 56.287 0.109 0.000 0.927 399 K CB -0.289 32.248 32.500 0.060 0.000 0.713 399 K HN 0.186 nan 8.250 nan 0.000 0.443 400 D N 0.526 120.963 120.400 0.062 0.000 2.144 400 D HA -0.106 4.330 4.640 -0.340 0.000 0.200 400 D C 1.834 178.174 176.300 0.067 0.000 0.978 400 D CA 1.095 55.120 54.000 0.042 0.000 0.833 400 D CB 0.046 40.864 40.800 0.030 0.000 0.961 400 D HN 0.320 nan 8.370 nan 0.000 0.470 401 K N 0.446 120.928 120.400 0.136 0.000 2.057 401 K HA -0.071 4.045 4.320 -0.340 0.000 0.207 401 K C 2.320 179.014 176.600 0.156 0.000 1.049 401 K CA 0.742 57.160 56.287 0.219 0.000 0.931 401 K CB 0.008 32.671 32.500 0.272 0.000 0.714 401 K HN 0.166 nan 8.250 nan 0.000 0.440 402 I N 0.868 121.512 120.570 0.123 0.000 2.202 402 I HA -0.243 3.723 4.170 -0.340 0.000 0.242 402 I C 2.553 178.656 176.117 -0.024 0.000 1.091 402 I CA 1.019 62.359 61.300 0.067 0.000 1.368 402 I CB -0.450 37.595 38.000 0.074 0.000 1.058 402 I HN 0.136 nan 8.210 nan 0.000 0.410 403 A N 1.060 123.861 122.820 -0.032 0.000 1.908 403 A HA -0.232 3.884 4.320 -0.340 0.000 0.218 403 A C 2.324 179.811 177.584 -0.163 0.000 1.181 403 A CA 1.734 53.728 52.037 -0.073 0.000 0.627 403 A CB -0.488 18.484 19.000 -0.046 0.000 0.818 403 A HN 0.323 nan 8.150 nan 0.000 0.445 404 K N -0.390 119.868 120.400 -0.237 0.000 2.097 404 K HA -0.052 4.065 4.320 -0.340 0.000 0.206 404 K C 2.307 178.399 176.600 -0.847 0.000 1.049 404 K CA 1.058 57.053 56.287 -0.488 0.000 0.933 404 K CB -0.316 31.888 32.500 -0.494 0.000 0.717 404 K HN 0.455 nan 8.250 nan 0.000 0.442 405 A N 1.866 124.239 122.820 -0.746 0.000 1.877 405 A HA -0.219 3.897 4.320 -0.340 0.000 0.216 405 A C 2.063 179.514 177.584 -0.222 0.000 1.186 405 A CA 1.685 53.425 52.037 -0.496 0.000 0.620 405 A CB -0.382 18.623 19.000 0.008 0.000 0.822 405 A HN 0.223 nan 8.150 nan 0.000 0.443 406 K N 0.023 120.332 120.400 -0.153 0.000 2.057 406 K HA -0.203 3.913 4.320 -0.340 0.000 0.207 406 K C 2.117 178.660 176.600 -0.096 0.000 1.049 406 K CA 1.851 58.086 56.287 -0.087 0.000 0.931 406 K CB -0.171 32.289 32.500 -0.067 0.000 0.714 406 K HN 0.435 nan 8.250 nan 0.000 0.440 407 K N 0.106 120.421 120.400 -0.141 0.000 2.147 407 K HA -0.064 4.052 4.320 -0.340 0.000 0.205 407 K C 1.485 178.027 176.600 -0.097 0.000 1.049 407 K CA 1.280 57.500 56.287 -0.112 0.000 0.936 407 K CB -0.102 32.323 32.500 -0.125 0.000 0.722 407 K HN 0.193 nan 8.250 nan 0.000 0.446 408 A N -0.018 122.717 122.820 -0.141 0.000 2.238 408 A HA 0.255 4.371 4.320 -0.340 0.000 0.208 408 A C 1.321 178.910 177.584 0.007 0.000 1.177 408 A CA 0.587 52.591 52.037 -0.055 0.000 0.804 408 A CB -0.505 18.471 19.000 -0.041 0.000 0.823 408 A HN 0.594 nan 8.150 nan 0.000 0.482 409 G N -1.986 106.810 108.800 -0.006 0.000 2.141 409 G HA2 0.094 3.850 3.960 -0.340 0.000 0.242 409 G HA3 0.094 3.850 3.960 -0.340 0.000 0.242 409 G C 0.444 175.377 174.900 0.055 0.000 0.982 409 G CA 0.243 45.358 45.100 0.025 0.000 0.662 409 G HN 1.568 nan 8.290 nan 0.000 0.527 410 A N -0.136 122.723 122.820 0.064 0.000 2.445 410 A HA 0.644 4.760 4.320 -0.340 0.000 0.242 410 A C 1.715 179.350 177.584 0.085 0.000 1.075 410 A CA 0.698 52.802 52.037 0.111 0.000 0.777 410 A CB 0.739 19.827 19.000 0.148 0.000 1.013 410 A HN 1.619 nan 8.150 nan 0.000 0.493 411 V N -0.127 119.860 119.914 0.120 0.000 3.649 411 V HA 0.583 4.500 4.120 -0.340 0.000 0.275 411 V C 0.733 176.845 176.094 0.030 0.000 1.281 411 V CA 0.734 63.092 62.300 0.096 0.000 1.143 411 V CB -1.192 30.743 31.823 0.187 0.000 0.892 411 V HN 1.790 nan 8.190 nan 0.000 0.441 412 G N -0.541 108.297 108.800 0.062 0.000 2.322 412 G HA2 0.525 4.281 3.960 -0.340 0.000 0.295 412 G HA3 0.525 4.281 3.960 -0.340 0.000 0.295 412 G C -1.397 173.607 174.900 0.174 0.000 1.369 412 G CA 0.092 45.208 45.100 0.025 0.000 0.821 412 G HN 1.301 nan 8.290 nan 0.000 0.536 413 V N -2.221 117.832 119.914 0.232 0.000 3.007 413 V HA 0.911 4.827 4.120 -0.340 0.000 0.311 413 V C -1.030 175.229 176.094 0.276 0.000 1.120 413 V CA -1.136 61.312 62.300 0.246 0.000 0.980 413 V CB 1.866 33.813 31.823 0.206 0.000 1.033 413 V HN 0.890 nan 8.190 nan 0.000 0.429 414 L N 4.228 125.567 121.223 0.193 0.000 2.372 414 L HA 0.609 4.745 4.340 -0.340 0.000 0.273 414 L C -0.775 176.161 176.870 0.110 0.000 0.989 414 L CA -0.322 54.585 54.840 0.112 0.000 0.841 414 L CB 1.689 43.747 42.059 -0.000 0.000 1.225 414 L HN 0.612 nan 8.230 nan 0.000 0.414 415 I N 3.750 124.362 120.570 0.069 0.000 2.377 415 I HA 0.295 4.261 4.170 -0.340 0.000 0.293 415 I C -0.716 175.282 176.117 -0.198 0.000 0.987 415 I CA -0.779 60.538 61.300 0.029 0.000 1.185 415 I CB 1.304 39.367 38.000 0.104 0.000 1.341 415 I HN 0.426 nan 8.210 nan 0.000 0.455 416 Y N 3.488 123.639 120.300 -0.247 0.000 2.446 416 Y HA 0.535 4.881 4.550 -0.340 0.000 0.338 416 Y C -0.186 175.544 175.900 -0.282 0.000 1.055 416 Y CA -1.490 56.356 58.100 -0.422 0.000 1.101 416 Y CB 0.553 38.870 38.460 -0.239 0.000 1.221 416 Y HN 0.413 nan 8.280 nan 0.000 0.460 417 D N 1.651 121.901 120.400 -0.250 0.000 2.419 417 D HA -0.058 4.378 4.640 -0.340 0.000 0.236 417 D C 0.435 176.800 176.300 0.109 0.000 1.165 417 D CA 0.398 54.450 54.000 0.087 0.000 0.882 417 D CB 0.659 41.595 40.800 0.227 0.000 1.201 417 D HN 0.884 nan 8.370 nan 0.000 0.443 418 N N 1.334 120.115 118.700 0.135 0.000 2.205 418 N HA -0.022 4.514 4.740 -0.340 0.000 0.201 418 N C -0.203 175.378 175.510 0.117 0.000 1.128 418 N CA -0.172 52.937 53.050 0.098 0.000 0.867 418 N CB 0.321 38.847 38.487 0.066 0.000 0.996 418 N HN 0.216 nan 8.380 nan 0.000 0.503 419 Q N 0.298 120.185 119.800 0.146 0.000 2.316 419 Q HA 0.335 4.471 4.340 -0.340 0.000 0.264 419 Q C -0.494 175.572 176.000 0.109 0.000 0.987 419 Q CA -0.359 55.518 55.803 0.124 0.000 0.852 419 Q CB 1.760 30.584 28.738 0.144 0.000 1.287 419 Q HN -0.027 nan 8.270 nan 0.000 0.448 420 D N 1.741 122.187 120.400 0.076 0.000 2.144 420 D HA -0.092 4.344 4.640 -0.340 0.000 0.200 420 D C 0.191 176.519 176.300 0.047 0.000 0.978 420 D CA 1.109 55.144 54.000 0.058 0.000 0.833 420 D CB 0.471 41.296 40.800 0.041 0.000 0.961 420 D HN 0.296 nan 8.370 nan 0.000 0.470 421 K N 0.651 121.068 120.400 0.029 0.000 2.726 421 K HA 0.301 4.417 4.320 -0.340 0.000 0.209 421 K C 0.325 176.895 176.600 -0.049 0.000 1.082 421 K CA -0.227 56.058 56.287 -0.005 0.000 1.081 421 K CB 0.945 33.430 32.500 -0.024 0.000 0.830 421 K HN 0.005 nan 8.250 nan 0.000 0.470 422 G N 0.288 109.106 108.800 0.029 0.000 2.527 422 G HA2 0.262 4.019 3.960 -0.340 0.000 0.248 422 G HA3 0.262 4.019 3.960 -0.340 0.000 0.248 422 G C -0.347 174.604 174.900 0.086 0.000 1.231 422 G CA -0.428 44.700 45.100 0.047 0.000 0.838 422 G HN 0.092 nan 8.290 nan 0.000 0.570 423 F N 1.015 121.050 119.950 0.142 0.000 2.450 423 F HA 0.242 4.565 4.527 -0.339 0.000 0.339 423 F C -1.343 174.515 175.800 0.096 0.000 1.146 423 F CA -1.399 56.664 58.000 0.105 0.000 1.267 423 F CB 0.980 40.025 39.000 0.076 0.000 1.178 423 F HN 0.208 nan 8.300 nan 0.000 0.585 424 P HA 0.142 nan 4.420 nan 0.000 0.272 424 P C -0.753 176.441 177.300 -0.176 0.000 1.223 424 P CA 0.108 63.319 63.100 0.186 0.000 0.784 424 P CB 0.609 32.425 31.700 0.193 0.000 0.923 425 I N 1.186 121.256 120.570 -0.833 0.000 2.406 425 I HA 0.208 4.174 4.170 -0.340 0.000 0.290 425 I C 0.706 176.507 176.117 -0.528 0.000 0.999 425 I CA -0.786 60.042 61.300 -0.787 0.000 1.124 425 I CB 1.487 38.763 38.000 -1.207 0.000 1.289 425 I HN 0.330 nan 8.210 nan 0.000 0.441 426 E N 7.530 127.578 120.200 -0.253 0.000 2.166 426 E HA 0.246 4.392 4.350 -0.340 0.000 0.279 426 E C -0.956 175.547 176.600 -0.163 0.000 1.095 426 E CA -0.430 55.886 56.400 -0.140 0.000 0.888 426 E CB 0.698 30.357 29.700 -0.068 0.000 1.041 426 E HN 0.492 nan 8.360 nan 0.000 0.414 427 L N 6.688 127.817 121.223 -0.156 0.000 2.436 427 L HA 0.332 4.468 4.340 -0.340 0.000 0.265 427 L C -1.718 175.129 176.870 -0.038 0.000 1.168 427 L CA -1.955 52.789 54.840 -0.159 0.000 0.815 427 L CB 0.496 42.475 42.059 -0.134 0.000 1.109 427 L HN 0.531 nan 8.230 nan 0.000 0.462 428 P HA 0.026 nan 4.420 nan 0.000 0.274 428 P C -1.225 176.084 177.300 0.015 0.000 1.231 428 P CA -0.473 62.647 63.100 0.033 0.000 0.790 428 P CB 0.719 32.463 31.700 0.074 0.000 0.951 429 N N 1.946 120.647 118.700 0.002 0.000 2.406 429 N HA 0.183 4.720 4.740 -0.340 0.000 0.251 429 N C -1.175 174.330 175.510 -0.009 0.000 1.069 429 N CA -0.272 52.770 53.050 -0.012 0.000 0.947 429 N CB -0.080 38.396 38.487 -0.019 0.000 1.111 429 N HN 0.017 nan 8.380 nan 0.000 0.497 430 V N 3.780 123.687 119.914 -0.012 0.000 2.284 430 V HA 0.243 4.160 4.120 -0.340 0.000 0.274 430 V C -0.331 175.747 176.094 -0.026 0.000 1.023 430 V CA -0.705 61.589 62.300 -0.011 0.000 0.808 430 V CB 0.758 32.583 31.823 0.003 0.000 1.035 430 V HN 0.767 nan 8.190 nan 0.000 0.445 431 D N 3.304 123.687 120.400 -0.027 0.000 2.772 431 D HA -0.156 4.280 4.640 -0.340 0.000 0.233 431 D C 0.690 176.963 176.300 -0.044 0.000 1.143 431 D CA 1.118 55.098 54.000 -0.033 0.000 0.700 431 D CB -0.540 40.241 40.800 -0.032 0.000 1.076 431 D HN 0.818 nan 8.370 nan 0.000 0.430 435 A N 1.417 124.168 122.820 -0.116 0.000 2.375 435 A HA 0.879 4.995 4.320 -0.340 0.000 0.295 435 A C -0.812 176.945 177.584 0.288 0.000 1.066 435 A CA -0.142 51.983 52.037 0.146 0.000 0.722 435 A CB 1.501 20.538 19.000 0.063 0.000 1.206 435 A HN 0.706 nan 8.150 nan 0.000 0.435 436 A N 1.717 124.762 122.820 0.376 0.000 2.350 436 A HA 0.827 4.944 4.320 -0.340 0.000 0.324 436 A C -1.178 176.530 177.584 0.206 0.000 1.118 436 A CA -0.450 51.762 52.037 0.291 0.000 0.783 436 A CB 0.873 20.029 19.000 0.260 0.000 1.236 436 A HN 1.338 nan 8.150 nan 0.000 0.457 437 F N 2.714 122.681 119.950 0.028 0.000 2.469 437 F HA 0.745 5.068 4.527 -0.340 0.000 0.332 437 F C -0.221 175.588 175.800 0.014 0.000 1.103 437 F CA -0.828 57.166 58.000 -0.010 0.000 0.979 437 F CB 1.206 40.165 39.000 -0.068 0.000 1.137 437 F HN 0.633 nan 8.300 nan 0.000 0.463 438 I N 1.573 121.821 120.570 -0.536 0.000 3.042 438 I HA 0.635 4.601 4.170 -0.340 0.000 0.310 438 I C -0.381 175.489 176.117 -0.411 0.000 1.117 438 I CA -1.053 60.061 61.300 -0.309 0.000 1.003 438 I CB 1.882 39.750 38.000 -0.220 0.000 1.228 438 I HN 0.576 nan 8.210 nan 0.000 0.443 439 S N 2.247 117.861 115.700 -0.143 0.000 2.596 439 S HA 0.233 4.499 4.470 -0.340 0.000 0.260 439 S C 1.023 175.598 174.600 -0.041 0.000 1.336 439 S CA -0.168 58.002 58.200 -0.050 0.000 0.993 439 S CB 1.225 64.430 63.200 0.009 0.000 0.923 439 S HN 0.926 nan 8.310 nan 0.000 0.567 440 R N 0.717 121.243 120.500 0.044 0.000 2.073 440 R HA -0.089 4.048 4.340 -0.340 0.000 0.234 440 R C 1.871 178.167 176.300 -0.006 0.000 1.134 440 R CA 1.551 57.720 56.100 0.114 0.000 0.952 440 R CB -0.412 29.963 30.300 0.126 0.000 0.850 440 R HN 0.634 nan 8.270 nan 0.000 0.433 441 K N 0.726 121.110 120.400 -0.027 0.000 2.063 441 K HA -0.124 3.992 4.320 -0.340 0.000 0.208 441 K C 1.649 178.172 176.600 -0.129 0.000 1.048 441 K CA 1.871 58.118 56.287 -0.066 0.000 0.928 441 K CB -0.223 32.254 32.500 -0.040 0.000 0.713 441 K HN 0.273 nan 8.250 nan 0.000 0.442 442 D N -0.962 119.356 120.400 -0.137 0.000 2.183 442 D HA -0.050 4.386 4.640 -0.340 0.000 0.203 442 D C 1.862 177.985 176.300 -0.294 0.000 0.969 442 D CA 1.341 55.231 54.000 -0.183 0.000 0.842 442 D CB -0.328 40.377 40.800 -0.158 0.000 0.957 442 D HN 0.351 nan 8.370 nan 0.000 0.484 443 G N 0.815 109.386 108.800 -0.381 0.000 2.402 443 G HA2 -0.161 3.595 3.960 -0.340 0.000 0.216 443 G HA3 -0.161 3.595 3.960 -0.340 0.000 0.216 443 G C 1.773 176.125 174.900 -0.913 0.000 1.162 443 G CA 0.150 44.778 45.100 -0.787 0.000 0.777 443 G HN 0.237 nan 8.290 nan 0.000 0.539 444 L N -0.079 120.767 121.223 -0.628 0.000 2.141 444 L HA 0.082 4.219 4.340 -0.340 0.000 0.209 444 L C 2.692 179.380 176.870 -0.304 0.000 1.094 444 L CA 0.410 54.994 54.840 -0.427 0.000 0.763 444 L CB -0.318 41.609 42.059 -0.221 0.000 0.908 444 L HN 0.225 nan 8.230 nan 0.000 0.437 445 L N -0.359 120.713 121.223 -0.253 0.000 2.056 445 L HA -0.204 3.933 4.340 -0.340 0.000 0.207 445 L C 2.442 179.212 176.870 -0.166 0.000 1.078 445 L CA 1.255 55.990 54.840 -0.174 0.000 0.749 445 L CB -0.020 41.953 42.059 -0.143 0.000 0.901 445 L HN 0.188 nan 8.230 nan 0.000 0.433 446 L N -0.092 120.988 121.223 -0.239 0.000 2.056 446 L HA -0.239 3.898 4.340 -0.340 0.000 0.207 446 L C 2.676 179.516 176.870 -0.049 0.000 1.078 446 L CA 1.552 56.279 54.840 -0.188 0.000 0.749 446 L CB -0.595 41.176 42.059 -0.479 0.000 0.901 446 L HN 0.315 nan 8.230 nan 0.000 0.433 447 K N 0.134 120.395 120.400 -0.233 0.000 2.103 447 K HA -0.208 3.909 4.320 -0.340 0.000 0.207 447 K C 1.119 177.611 176.600 -0.180 0.000 1.048 447 K CA 1.820 57.945 56.287 -0.270 0.000 0.930 447 K CB 0.070 32.219 32.500 -0.584 0.000 0.716 447 K HN 0.278 nan 8.250 nan 0.000 0.444 448 D N 0.145 120.452 120.400 -0.155 0.000 2.339 448 D HA -0.031 4.405 4.640 -0.340 0.000 0.217 448 D C -0.151 176.117 176.300 -0.055 0.000 1.050 448 D CA 0.171 54.108 54.000 -0.105 0.000 0.856 448 D CB -0.201 40.535 40.800 -0.107 0.000 0.922 448 D HN 0.148 nan 8.370 nan 0.000 0.518 449 N N 1.258 119.948 118.700 -0.018 0.000 2.470 449 N HA 0.062 4.598 4.740 -0.340 0.000 0.268 449 N C -1.702 173.801 175.510 -0.012 0.000 1.136 449 N CA -1.246 51.807 53.050 0.005 0.000 0.961 449 N CB 1.716 40.240 38.487 0.063 0.000 1.067 449 N HN -0.230 nan 8.380 nan 0.000 0.468 450 P HA -0.155 nan 4.420 nan 0.000 0.215 450 P C -0.431 176.832 177.300 -0.061 0.000 1.157 450 P CA 1.048 64.124 63.100 -0.040 0.000 0.863 450 P CB 0.175 31.857 31.700 -0.030 0.000 0.787 451 Q N 1.016 120.786 119.800 -0.050 0.000 2.472 451 Q HA 0.076 4.212 4.340 -0.340 0.000 0.227 451 Q C -0.463 175.466 176.000 -0.119 0.000 1.156 451 Q CA -0.244 55.518 55.803 -0.068 0.000 0.924 451 Q CB -0.142 28.577 28.738 -0.031 0.000 1.354 451 Q HN 0.122 nan 8.270 nan 0.000 0.525 452 K N 3.469 123.691 120.400 -0.296 0.000 2.480 452 K HA 0.156 4.272 4.320 -0.340 0.000 0.241 452 K C -0.835 175.429 176.600 -0.560 0.000 1.261 452 K CA 0.097 55.889 56.287 -0.825 0.000 1.193 452 K CB 0.313 32.138 32.500 -1.125 0.000 1.598 452 K HN 0.381 nan 8.250 nan 0.000 0.278 453 T N 2.444 116.946 114.554 -0.087 0.000 2.886 453 T HA 0.556 4.702 4.350 -0.340 0.000 0.292 453 T C -0.347 174.491 174.700 0.231 0.000 1.012 453 T CA -0.752 61.407 62.100 0.099 0.000 0.982 453 T CB 1.225 70.121 68.868 0.046 0.000 1.018 453 T HN 0.429 nan 8.240 nan 0.000 0.451 454 I N -0.677 120.056 120.570 0.272 0.000 2.865 454 I HA 0.836 4.803 4.170 -0.340 0.000 0.302 454 I C -0.945 175.270 176.117 0.164 0.000 1.140 454 I CA -0.853 60.526 61.300 0.133 0.000 1.021 454 I CB 2.738 40.728 38.000 -0.017 0.000 1.233 454 I HN 0.388 nan 8.210 nan 0.000 0.427 455 T N 3.905 118.474 114.554 0.025 0.000 2.861 455 T HA 0.584 4.730 4.350 -0.340 0.000 0.287 455 T C -0.929 173.751 174.700 -0.034 0.000 1.003 455 T CA -0.211 61.970 62.100 0.135 0.000 0.977 455 T CB 1.162 70.087 68.868 0.095 0.000 0.996 455 T HN 0.317 nan 8.240 nan 0.000 0.448 456 F N 2.702 122.695 119.950 0.072 0.000 2.405 456 F HA 0.396 4.720 4.527 -0.339 0.000 0.355 456 F C 1.000 176.827 175.800 0.045 0.000 1.121 456 F CA -0.982 57.022 58.000 0.005 0.000 1.112 456 F CB 0.534 39.526 39.000 -0.013 0.000 1.126 456 F HN 0.471 nan 8.300 nan 0.000 0.481 457 N N 1.303 120.076 118.700 0.122 0.000 2.503 457 N HA 0.421 4.957 4.740 -0.340 0.000 0.267 457 N C 0.617 176.194 175.510 0.112 0.000 1.214 457 N CA -0.115 52.990 53.050 0.093 0.000 0.959 457 N CB 1.179 39.686 38.487 0.033 0.000 1.142 457 N HN 0.699 nan 8.380 nan 0.000 0.455 458 A N 0.912 123.785 122.820 0.088 0.000 1.975 458 A HA 0.019 4.135 4.320 -0.340 0.000 0.215 458 A C 0.698 178.316 177.584 0.057 0.000 1.170 458 A CA 0.801 52.886 52.037 0.079 0.000 0.656 458 A CB -0.066 18.973 19.000 0.066 0.000 0.821 458 A HN 0.607 nan 8.150 nan 0.000 0.449 459 T N 3.048 117.628 114.554 0.042 0.000 2.767 459 T HA 0.462 4.608 4.350 -0.340 0.000 0.288 459 T C -2.410 172.303 174.700 0.022 0.000 0.963 459 T CA -1.065 61.052 62.100 0.027 0.000 1.019 459 T CB 1.454 70.333 68.868 0.018 0.000 0.923 459 T HN 0.268 nan 8.240 nan 0.000 0.468 460 P HA 0.322 nan 4.420 nan 0.000 0.273 460 P C -0.636 176.664 177.300 -0.000 0.000 1.250 460 P CA -0.519 62.587 63.100 0.010 0.000 0.793 460 P CB 0.955 32.657 31.700 0.004 0.000 1.011 461 K N -0.259 120.138 120.400 -0.006 0.000 2.546 461 K HA 0.355 4.472 4.320 -0.340 0.000 0.264 461 K C -1.527 175.064 176.600 -0.016 0.000 0.937 461 K CA -0.839 55.441 56.287 -0.011 0.000 0.833 461 K CB 2.046 34.539 32.500 -0.010 0.000 1.378 461 K HN 0.092 nan 8.250 nan 0.000 0.432 462 V N 5.099 125.003 119.914 -0.018 0.000 2.427 462 V HA 0.326 4.242 4.120 -0.340 0.000 0.268 462 V C -0.123 175.963 176.094 -0.014 0.000 1.046 462 V CA -0.185 62.102 62.300 -0.021 0.000 0.970 462 V CB 0.205 32.014 31.823 -0.023 0.000 1.001 462 V HN 0.554 nan 8.190 nan 0.000 0.476 463 L N 6.222 127.438 121.223 -0.011 0.000 2.350 463 L HA 0.573 4.710 4.340 -0.340 0.000 0.260 463 L C -2.575 174.296 176.870 0.003 0.000 1.015 463 L CA -2.208 52.628 54.840 -0.006 0.000 0.821 463 L CB 2.906 44.959 42.059 -0.010 0.000 1.370 463 L HN 0.351 nan 8.230 nan 0.000 0.416 464 P HA 0.003 nan 4.420 nan 0.000 0.266 464 P C -0.551 176.764 177.300 0.025 0.000 1.195 464 P CA 0.136 63.246 63.100 0.017 0.000 0.768 464 P CB 0.604 32.312 31.700 0.014 0.000 0.838 465 T N 1.439 116.017 114.554 0.041 0.000 2.922 465 T HA 0.437 4.584 4.350 -0.340 0.000 0.285 465 T C 1.337 176.070 174.700 0.056 0.000 1.005 465 T CA -0.105 62.029 62.100 0.058 0.000 1.061 465 T CB 0.480 69.396 68.868 0.080 0.000 1.007 465 T HN 0.302 nan 8.240 nan 0.000 0.502 466 A N 2.488 125.346 122.820 0.063 0.000 2.014 466 A HA 0.041 4.157 4.320 -0.340 0.000 0.218 466 A C 2.494 180.105 177.584 0.046 0.000 1.163 466 A CA 1.757 53.825 52.037 0.052 0.000 0.652 466 A CB -0.836 18.202 19.000 0.064 0.000 0.808 466 A HN 0.961 nan 8.150 nan 0.000 0.449 467 S N -1.275 114.455 115.700 0.049 0.000 2.414 467 S HA 0.370 4.637 4.470 -0.340 0.000 0.227 467 S C 1.371 175.992 174.600 0.036 0.000 1.022 467 S CA 1.115 59.316 58.200 0.002 0.000 0.958 467 S CB -0.887 62.281 63.200 -0.053 0.000 0.797 467 S HN 2.059 nan 8.310 nan 0.000 0.493 468 G N 0.415 109.257 108.800 0.069 0.000 2.741 468 G HA2 -0.174 3.583 3.960 -0.340 0.000 0.222 468 G HA3 -0.174 3.583 3.960 -0.340 0.000 0.222 468 G C -0.346 174.634 174.900 0.133 0.000 1.364 468 G CA -0.448 44.708 45.100 0.092 0.000 0.866 468 G HN 0.622 nan 8.290 nan 0.000 0.555 469 T N 1.430 116.087 114.554 0.171 0.000 2.829 469 T HA 0.427 4.573 4.350 -0.340 0.000 0.293 469 T C 0.484 175.319 174.700 0.224 0.000 0.970 469 T CA 1.272 63.507 62.100 0.226 0.000 1.168 469 T CB 0.392 69.401 68.868 0.234 0.000 0.911 469 T HN 0.719 nan 8.240 nan 0.000 0.535 470 K N 3.570 124.073 120.400 0.172 0.000 2.525 470 K HA 0.432 4.548 4.320 -0.340 0.000 0.254 470 K C -1.656 174.949 176.600 0.008 0.000 0.934 470 K CA -0.831 55.495 56.287 0.066 0.000 0.802 470 K CB 1.231 33.736 32.500 0.009 0.000 1.295 470 K HN 0.307 nan 8.250 nan 0.000 0.433 471 L N 2.785 123.818 121.223 -0.317 0.000 2.322 471 L HA 0.312 4.448 4.340 -0.340 0.000 0.281 471 L C 0.390 177.334 176.870 0.124 0.000 1.014 471 L CA -0.440 54.294 54.840 -0.178 0.000 0.815 471 L CB 1.522 43.231 42.059 -0.582 0.000 1.247 471 L HN 0.798 nan 8.230 nan 0.000 0.421 472 S N 3.294 119.191 115.700 0.329 0.000 2.552 472 S HA -0.009 4.258 4.470 -0.340 0.000 0.289 472 S C 1.529 176.252 174.600 0.204 0.000 1.304 472 S CA -0.189 58.256 58.200 0.408 0.000 1.063 472 S CB 0.409 63.874 63.200 0.441 0.000 0.848 472 S HN 0.743 nan 8.310 nan 0.000 0.499 473 R N 3.207 123.755 120.500 0.080 0.000 2.241 473 R HA -0.063 4.073 4.340 -0.340 0.000 0.224 473 R C 0.721 177.071 176.300 0.084 0.000 1.101 473 R CA 1.668 57.763 56.100 -0.009 0.000 0.995 473 R CB -0.484 29.641 30.300 -0.292 0.000 0.870 473 R HN 0.696 nan 8.270 nan 0.000 0.463 474 F N 1.479 121.671 119.950 0.403 0.000 2.695 474 F HA 0.194 4.518 4.527 -0.338 0.000 0.303 474 F C 0.939 176.963 175.800 0.373 0.000 1.091 474 F CA -0.471 57.780 58.000 0.418 0.000 1.300 474 F CB 0.415 39.554 39.000 0.232 0.000 1.071 474 F HN 0.017 nan 8.300 nan 0.000 0.578 475 S N -1.232 114.657 115.700 0.315 0.000 2.646 475 S HA 0.439 4.705 4.470 -0.340 0.000 0.276 475 S C 1.076 175.590 174.600 -0.144 0.000 1.222 475 S CA -0.010 58.260 58.200 0.115 0.000 1.014 475 S CB 1.682 64.922 63.200 0.067 0.000 0.991 475 S HN 0.241 nan 8.310 nan 0.000 0.533 476 S N -0.878 114.790 115.700 -0.053 0.000 2.314 476 S HA -0.217 4.049 4.470 -0.340 0.000 0.232 476 S C 0.114 174.680 174.600 -0.057 0.000 1.223 476 S CA 1.662 59.800 58.200 -0.104 0.000 1.673 476 S CB -2.362 60.720 63.200 -0.197 0.000 2.201 476 S HN 0.865 nan 8.310 nan 0.000 0.619 477 W N 2.754 124.099 121.300 0.076 0.000 2.580 477 W HA 0.333 4.787 4.660 -0.343 0.000 0.337 477 W C 1.024 177.547 176.519 0.005 0.000 1.088 477 W CA 1.063 58.442 57.345 0.056 0.000 1.189 477 W CB -0.401 29.166 29.460 0.178 0.000 1.131 477 W HN 0.670 nan 8.180 nan 0.000 0.563 478 G N 3.110 111.997 108.800 0.145 0.000 2.473 478 G HA2 0.554 4.311 3.960 -0.340 0.000 0.298 478 G HA3 0.554 4.311 3.960 -0.340 0.000 0.298 478 G C -1.965 172.913 174.900 -0.037 0.000 1.575 478 G CA -1.262 43.871 45.100 0.056 0.000 0.846 478 G HN 0.379 nan 8.290 nan 0.000 0.585 479 L N 0.961 122.161 121.223 -0.038 0.000 2.371 479 L HA 0.724 4.860 4.340 -0.340 0.000 0.262 479 L C 0.908 177.745 176.870 -0.056 0.000 1.006 479 L CA -1.076 53.704 54.840 -0.100 0.000 0.818 479 L CB 2.705 44.669 42.059 -0.159 0.000 1.354 479 L HN 0.831 nan 8.230 nan 0.000 0.415 480 T N -1.851 112.644 114.554 -0.098 0.000 2.862 480 T HA 0.447 4.593 4.350 -0.340 0.000 0.276 480 T C 1.180 175.844 174.700 -0.060 0.000 0.974 480 T CA -0.002 62.054 62.100 -0.072 0.000 0.966 480 T CB 1.626 70.429 68.868 -0.109 0.000 1.072 480 T HN 0.642 nan 8.240 nan 0.000 0.538 481 A N 1.213 124.016 122.820 -0.028 0.000 1.948 481 A HA -0.151 3.965 4.320 -0.340 0.000 0.220 481 A C 1.904 179.472 177.584 -0.028 0.000 1.177 481 A CA 2.075 54.108 52.037 -0.006 0.000 0.636 481 A CB -1.188 17.813 19.000 0.002 0.000 0.815 481 A HN 0.994 nan 8.150 nan 0.000 0.449 482 D N -2.450 117.905 120.400 -0.076 0.000 2.349 482 D HA 0.266 4.703 4.640 -0.340 0.000 0.224 482 D C 1.144 177.356 176.300 -0.146 0.000 1.029 482 D CA 1.121 55.073 54.000 -0.081 0.000 0.879 482 D CB -0.469 40.279 40.800 -0.087 0.000 0.906 482 D HN 0.920 nan 8.370 nan 0.000 0.528 483 G N -0.267 108.406 108.800 -0.211 0.000 2.184 483 G HA2 -0.247 3.509 3.960 -0.340 0.000 0.206 483 G HA3 -0.247 3.509 3.960 -0.340 0.000 0.206 483 G C -0.154 174.542 174.900 -0.340 0.000 0.995 483 G CA -0.253 44.705 45.100 -0.237 0.000 0.651 483 G HN 0.470 nan 8.290 nan 0.000 0.511 484 N N 0.501 118.920 118.700 -0.468 0.000 2.503 484 N HA 0.554 5.090 4.740 -0.340 0.000 0.267 484 N C 1.067 176.451 175.510 -0.210 0.000 1.214 484 N CA -0.168 52.662 53.050 -0.367 0.000 0.959 484 N CB 0.843 39.121 38.487 -0.349 0.000 1.142 484 N HN 0.569 nan 8.380 nan 0.000 0.455 485 I N -0.682 119.793 120.570 -0.158 0.000 2.692 485 I HA 0.099 4.065 4.170 -0.340 0.000 0.284 485 I C 1.237 177.286 176.117 -0.112 0.000 1.159 485 I CA -0.418 60.793 61.300 -0.148 0.000 1.423 485 I CB 0.977 38.893 38.000 -0.140 0.000 1.380 485 I HN 0.496 nan 8.210 nan 0.000 0.580 486 K N 6.526 126.868 120.400 -0.096 0.000 2.007 486 K HA 0.196 4.312 4.320 -0.340 0.000 0.206 486 K C -1.715 174.852 176.600 -0.054 0.000 1.047 486 K CA 0.573 56.817 56.287 -0.072 0.000 0.937 486 K CB -1.161 31.305 32.500 -0.056 0.000 0.718 486 K HN 0.661 nan 8.250 nan 0.000 0.438 487 P HA 0.032 nan 4.420 nan 0.000 0.269 487 P C -0.646 176.643 177.300 -0.018 0.000 1.209 487 P CA 0.401 63.481 63.100 -0.034 0.000 0.776 487 P CB 0.907 32.577 31.700 -0.050 0.000 0.876 488 D N 1.011 121.413 120.400 0.004 0.000 2.394 488 D HA 0.234 4.670 4.640 -0.340 0.000 0.226 488 D C 0.794 177.118 176.300 0.040 0.000 0.990 488 D CA 0.689 54.702 54.000 0.021 0.000 0.902 488 D CB 0.881 41.695 40.800 0.025 0.000 1.038 488 D HN 0.327 nan 8.370 nan 0.000 0.499 489 I N -0.494 120.099 120.570 0.038 0.000 3.066 489 I HA 0.476 4.442 4.170 -0.340 0.000 0.307 489 I C -1.953 174.194 176.117 0.050 0.000 1.366 489 I CA -0.858 60.472 61.300 0.050 0.000 0.972 489 I CB 2.168 40.202 38.000 0.057 0.000 1.307 489 I HN -0.132 nan 8.210 nan 0.000 0.470 490 A N 3.655 126.509 122.820 0.057 0.000 2.355 490 A HA 0.993 5.110 4.320 -0.340 0.000 0.324 490 A C -1.187 176.533 177.584 0.227 0.000 1.117 490 A CA -0.119 51.980 52.037 0.103 0.000 0.785 490 A CB 1.615 20.604 19.000 -0.020 0.000 1.254 490 A HN 1.063 nan 8.150 nan 0.000 0.453 491 A N 2.221 125.233 122.820 0.319 0.000 2.515 491 A HA 0.908 5.024 4.320 -0.340 0.000 0.298 491 A C -3.127 174.491 177.584 0.056 0.000 1.059 491 A CA -1.711 50.486 52.037 0.266 0.000 0.698 491 A CB 1.438 20.522 19.000 0.140 0.000 1.289 491 A HN 0.589 nan 8.150 nan 0.000 0.404 492 P HA 0.438 nan 4.420 nan 0.000 0.272 492 P C 0.171 177.362 177.300 -0.182 0.000 1.223 492 P CA 0.364 63.112 63.100 -0.586 0.000 0.784 492 P CB 1.362 32.762 31.700 -0.500 0.000 0.923 493 G N 0.676 109.355 108.800 -0.201 0.000 2.682 493 G HA2 0.200 3.956 3.960 -0.340 0.000 0.290 493 G HA3 0.200 3.956 3.960 -0.340 0.000 0.290 493 G C 0.166 175.020 174.900 -0.076 0.000 1.425 493 G CA -0.410 44.733 45.100 0.071 0.000 0.807 493 G HN 0.372 nan 8.290 nan 0.000 0.482 494 Q N -0.569 119.260 119.800 0.048 0.000 2.230 494 Q HA 0.025 4.162 4.340 -0.340 0.000 0.202 494 Q C -0.277 175.682 176.000 -0.069 0.000 0.963 494 Q CA 0.688 56.471 55.803 -0.034 0.000 0.866 494 Q CB 0.001 28.762 28.738 0.038 0.000 0.931 494 Q HN 0.597 nan 8.270 nan 0.000 0.452 495 D N 0.710 121.041 120.400 -0.116 0.000 3.091 495 D HA -0.188 4.249 4.640 -0.340 0.000 0.215 495 D C -1.139 174.933 176.300 -0.379 0.000 1.214 495 D CA 0.933 54.739 54.000 -0.322 0.000 0.870 495 D CB -0.854 39.678 40.800 -0.447 0.000 0.874 495 D HN 0.257 nan 8.370 nan 0.000 0.393 496 I N 1.057 121.488 120.570 -0.231 0.000 2.530 496 I HA 0.295 4.261 4.170 -0.340 0.000 0.297 496 I C 0.477 176.512 176.117 -0.137 0.000 1.011 496 I CA -1.085 60.133 61.300 -0.137 0.000 1.107 496 I CB 1.492 39.457 38.000 -0.058 0.000 1.285 496 I HN -0.009 nan 8.210 nan 0.000 0.436 497 L N 4.546 125.724 121.223 -0.075 0.000 2.290 497 L HA 0.272 4.408 4.340 -0.340 0.000 0.284 497 L C 0.377 177.225 176.870 -0.036 0.000 1.078 497 L CA 0.014 54.843 54.840 -0.018 0.000 0.815 497 L CB 1.328 43.434 42.059 0.078 0.000 1.162 497 L HN 0.561 nan 8.230 nan 0.000 0.435 498 S N 0.889 116.584 115.700 -0.008 0.000 2.480 498 S HA 0.218 4.484 4.470 -0.340 0.000 0.286 498 S C 0.837 175.448 174.600 0.018 0.000 1.180 498 S CA -0.564 57.628 58.200 -0.013 0.000 1.075 498 S CB 1.236 64.426 63.200 -0.017 0.000 0.996 498 S HN 0.692 nan 8.310 nan 0.000 0.487 499 S N 2.968 118.691 115.700 0.038 0.000 2.577 499 S HA 0.088 4.354 4.470 -0.340 0.000 0.219 499 S C 0.854 175.484 174.600 0.051 0.000 0.962 499 S CA 0.251 58.516 58.200 0.109 0.000 0.921 499 S CB -0.161 63.219 63.200 0.300 0.000 0.789 499 S HN 1.094 nan 8.310 nan 0.000 0.497 500 V N -3.076 116.841 119.914 0.005 0.000 3.252 500 V HA 0.708 4.625 4.120 -0.340 0.000 0.320 500 V C 1.721 177.786 176.094 -0.049 0.000 1.459 500 V CA 0.045 62.335 62.300 -0.017 0.000 1.095 500 V CB -0.512 31.307 31.823 -0.006 0.000 0.997 500 V HN 0.335 nan 8.190 nan 0.000 0.469 501 A N 2.299 125.076 122.820 -0.072 0.000 1.930 501 A HA 0.169 4.285 4.320 -0.340 0.000 0.217 501 A C 1.095 178.596 177.584 -0.139 0.000 1.175 501 A CA 2.008 53.989 52.037 -0.094 0.000 0.627 501 A CB -0.469 18.473 19.000 -0.097 0.000 0.815 501 A HN 0.970 nan 8.150 nan 0.000 0.443 502 N N -2.728 115.854 118.700 -0.197 0.000 3.364 502 N HA 0.169 4.706 4.740 -0.340 0.000 0.294 502 N C -0.658 174.738 175.510 -0.190 0.000 1.562 502 N CA -0.217 52.704 53.050 -0.215 0.000 0.862 502 N CB -0.035 38.248 38.487 -0.340 0.000 1.691 502 N HN 0.185 nan 8.380 nan 0.000 0.572 503 N N -1.834 116.769 118.700 -0.162 0.000 2.234 503 N HA 0.269 4.805 4.740 -0.340 0.000 0.227 503 N C -0.070 175.377 175.510 -0.105 0.000 1.151 503 N CA -0.400 52.583 53.050 -0.112 0.000 0.865 503 N CB 0.433 38.877 38.487 -0.072 0.000 1.066 503 N HN 0.185 nan 8.380 nan 0.000 0.515 504 K N 0.022 120.326 120.400 -0.160 0.000 2.367 504 K HA 0.191 4.307 4.320 -0.340 0.000 0.198 504 K C -0.731 175.882 176.600 0.022 0.000 1.132 504 K CA 0.702 56.954 56.287 -0.059 0.000 0.941 504 K CB 0.269 32.775 32.500 0.011 0.000 1.052 504 K HN 0.408 nan 8.250 nan 0.000 0.507 505 Y N -2.823 117.459 120.300 -0.030 0.000 2.609 505 Y HA 0.737 5.084 4.550 -0.339 0.000 0.336 505 Y C -1.225 174.667 175.900 -0.014 0.000 1.129 505 Y CA -2.543 55.537 58.100 -0.034 0.000 1.040 505 Y CB 0.695 39.116 38.460 -0.065 0.000 1.310 505 Y HN -0.151 nan 8.280 nan 0.000 0.460 506 A N 2.942 125.895 122.820 0.221 0.000 2.409 506 A HA 0.431 4.547 4.320 -0.340 0.000 0.267 506 A C -0.233 177.514 177.584 0.272 0.000 1.127 506 A CA -0.639 51.495 52.037 0.163 0.000 0.795 506 A CB 0.185 19.284 19.000 0.166 0.000 1.061 506 A HN 0.687 nan 8.150 nan 0.000 0.502 507 K N 2.857 123.349 120.400 0.153 0.000 2.183 507 K HA 0.418 4.535 4.320 -0.340 0.000 0.274 507 K C -0.743 175.914 176.600 0.096 0.000 1.009 507 K CA -0.737 55.666 56.287 0.193 0.000 0.888 507 K CB 0.784 33.352 32.500 0.114 0.000 1.078 507 K HN 0.601 nan 8.250 nan 0.000 0.459 508 L N 3.169 124.444 121.223 0.086 0.000 2.462 508 L HA 0.140 4.276 4.340 -0.340 0.000 0.272 508 L C -0.809 176.042 176.870 -0.032 0.000 1.166 508 L CA 1.038 55.869 54.840 -0.015 0.000 0.880 508 L CB 0.817 42.860 42.059 -0.027 0.000 1.142 508 L HN 0.608 nan 8.230 nan 0.000 0.473 509 S N 2.377 118.034 115.700 -0.073 0.000 2.709 509 S HA 0.768 5.034 4.470 -0.340 0.000 0.302 509 S C 0.438 175.003 174.600 -0.059 0.000 1.127 509 S CA -0.233 57.937 58.200 -0.049 0.000 0.905 509 S CB 1.623 64.803 63.200 -0.033 0.000 1.151 509 S HN 1.148 nan 8.310 nan 0.000 0.510 510 G N 0.721 109.507 108.800 -0.022 0.000 2.176 510 G HA2 -0.264 3.492 3.960 -0.340 0.000 0.252 510 G HA3 -0.264 3.492 3.960 -0.340 0.000 0.252 510 G C 0.483 175.401 174.900 0.030 0.000 1.024 510 G CA 0.854 45.967 45.100 0.021 0.000 0.755 510 G HN 1.011 nan 8.290 nan 0.000 0.507 511 T N -4.417 110.128 114.554 -0.016 0.000 2.985 511 T HA 0.672 4.818 4.350 -0.340 0.000 0.254 511 T C 1.716 176.393 174.700 -0.038 0.000 1.021 511 T CA 1.427 63.520 62.100 -0.012 0.000 0.957 511 T CB 0.138 68.993 68.868 -0.022 0.000 1.047 511 T HN 1.616 nan 8.240 nan 0.000 0.511 515 A N 2.496 125.325 122.820 0.015 0.000 1.877 515 A HA 0.111 4.227 4.320 -0.340 0.000 0.216 515 A C -0.704 176.890 177.584 0.015 0.000 1.186 515 A CA 1.948 53.999 52.037 0.024 0.000 0.620 515 A CB -1.827 17.189 19.000 0.027 0.000 0.822 515 A HN 0.443 nan 8.150 nan 0.000 0.443 516 P HA -0.134 nan 4.420 nan 0.000 0.218 516 P C 1.599 178.904 177.300 0.009 0.000 1.148 516 P CA 0.816 63.911 63.100 -0.008 0.000 0.822 516 P CB -0.054 31.624 31.700 -0.037 0.000 0.784 517 L N -0.525 120.711 121.223 0.022 0.000 2.017 517 L HA -0.123 4.013 4.340 -0.340 0.000 0.208 517 L C 2.093 178.991 176.870 0.046 0.000 1.073 517 L CA 1.988 56.862 54.840 0.056 0.000 0.745 517 L CB -1.271 40.856 42.059 0.114 0.000 0.894 517 L HN -0.178 nan 8.230 nan 0.000 0.432 518 V N 0.324 120.266 119.914 0.047 0.000 2.407 518 V HA -0.262 3.655 4.120 -0.340 0.000 0.248 518 V C 2.856 178.965 176.094 0.025 0.000 1.055 518 V CA 1.506 63.831 62.300 0.041 0.000 1.049 518 V CB -1.333 30.519 31.823 0.048 0.000 0.662 518 V HN 0.639 nan 8.190 nan 0.000 0.455 519 A N 0.559 123.392 122.820 0.022 0.000 1.883 519 A HA -0.141 3.976 4.320 -0.340 0.000 0.217 519 A C 2.428 180.016 177.584 0.007 0.000 1.186 519 A CA 2.097 54.143 52.037 0.014 0.000 0.624 519 A CB -1.248 17.761 19.000 0.014 0.000 0.822 519 A HN 0.528 nan 8.150 nan 0.000 0.444 520 G N -0.329 108.478 108.800 0.011 0.000 2.418 520 G HA2 0.012 3.768 3.960 -0.340 0.000 0.217 520 G HA3 0.012 3.768 3.960 -0.340 0.000 0.217 520 G C 0.954 175.852 174.900 -0.003 0.000 1.158 520 G CA 0.721 45.825 45.100 0.007 0.000 0.771 520 G HN 0.481 nan 8.290 nan 0.000 0.545 524 L N 0.587 121.774 121.223 -0.061 0.000 2.056 524 L HA 0.099 4.235 4.340 -0.340 0.000 0.207 524 L C 2.648 179.433 176.870 -0.141 0.000 1.078 524 L CA 1.065 55.861 54.840 -0.074 0.000 0.749 524 L CB -0.314 41.712 42.059 -0.054 0.000 0.901 524 L HN 0.279 nan 8.230 nan 0.000 0.433 525 L N -0.022 121.082 121.223 -0.198 0.000 2.083 525 L HA -0.249 3.887 4.340 -0.340 0.000 0.209 525 L C 2.557 179.078 176.870 -0.581 0.000 1.083 525 L CA 1.724 56.321 54.840 -0.406 0.000 0.752 525 L CB -0.527 41.303 42.059 -0.381 0.000 0.899 525 L HN 0.262 nan 8.230 nan 0.000 0.433 526 Q N -0.890 118.734 119.800 -0.295 0.000 2.119 526 Q HA -0.220 3.916 4.340 -0.340 0.000 0.201 526 Q C 2.161 178.127 176.000 -0.057 0.000 0.972 526 Q CA 1.527 57.247 55.803 -0.138 0.000 0.847 526 Q CB 0.047 28.758 28.738 -0.044 0.000 0.903 526 Q HN 0.490 nan 8.270 nan 0.000 0.433 527 K N 0.083 120.439 120.400 -0.074 0.000 2.057 527 K HA -0.204 3.912 4.320 -0.340 0.000 0.206 527 K C 2.144 178.734 176.600 -0.016 0.000 1.050 527 K CA 1.454 57.724 56.287 -0.027 0.000 0.935 527 K CB -0.108 32.373 32.500 -0.031 0.000 0.715 527 K HN 0.271 nan 8.250 nan 0.000 0.439 528 Q N 0.275 120.027 119.800 -0.079 0.000 2.135 528 Q HA -0.185 3.951 4.340 -0.340 0.000 0.204 528 Q C 1.424 177.492 176.000 0.113 0.000 0.981 528 Q CA 1.526 57.305 55.803 -0.040 0.000 0.856 528 Q CB -0.048 28.614 28.738 -0.127 0.000 0.902 528 Q HN 0.530 nan 8.270 nan 0.000 0.425 529 Y N 0.005 120.326 120.300 0.035 0.000 2.616 529 Y HA -0.076 4.270 4.550 -0.340 0.000 0.296 529 Y C 1.886 177.829 175.900 0.073 0.000 1.154 529 Y CA 0.075 58.230 58.100 0.092 0.000 1.325 529 Y CB 0.312 38.862 38.460 0.150 0.000 1.007 529 Y HN 0.297 nan 8.280 nan 0.000 0.542 530 E N -0.076 120.231 120.200 0.178 0.000 2.072 530 E HA -0.128 4.018 4.350 -0.340 0.000 0.191 530 E C 1.817 178.463 176.600 0.077 0.000 0.985 530 E CA 1.556 58.020 56.400 0.107 0.000 0.801 530 E CB 0.010 29.746 29.700 0.061 0.000 0.750 530 E HN 0.335 nan 8.360 nan 0.000 0.452 531 T N 1.654 116.241 114.554 0.056 0.000 2.613 531 T HA -0.145 4.002 4.350 -0.340 0.000 0.248 531 T C 0.686 175.377 174.700 -0.016 0.000 1.107 531 T CA 0.709 62.818 62.100 0.016 0.000 1.238 531 T CB -0.314 68.554 68.868 -0.000 0.000 0.899 531 T HN 0.278 nan 8.240 nan 0.000 0.400 532 Q N 1.197 120.948 119.800 -0.082 0.000 2.286 532 Q HA 0.061 4.198 4.340 -0.340 0.000 0.290 532 Q C -1.097 174.742 176.000 -0.267 0.000 1.049 532 Q CA -0.068 55.554 55.803 -0.301 0.000 0.923 532 Q CB -0.595 27.840 28.738 -0.506 0.000 1.183 532 Q HN 0.727 nan 8.270 nan 0.000 0.383 533 Y N 0.198 120.493 120.300 -0.009 0.000 3.027 533 Y HA -0.155 4.191 4.550 -0.340 0.000 0.146 533 Y C -1.973 173.923 175.900 -0.007 0.000 1.924 533 Y CA -0.414 57.664 58.100 -0.037 0.000 1.039 533 Y CB -1.378 37.015 38.460 -0.111 0.000 1.555 533 Y HN 0.657 nan 8.280 nan 0.000 0.371 534 P HA -0.104 nan 4.420 nan 0.000 0.217 534 P C 0.232 177.571 177.300 0.065 0.000 1.150 534 P CA 1.831 64.974 63.100 0.072 0.000 0.832 534 P CB 0.322 32.049 31.700 0.045 0.000 0.787 538 P HA -0.116 nan 4.420 nan 0.000 0.215 538 P C 1.722 179.022 177.300 0.000 0.000 1.153 538 P CA 1.079 64.182 63.100 0.006 0.000 0.853 538 P CB 0.221 31.913 31.700 -0.013 0.000 0.788 539 S N -0.536 115.158 115.700 -0.011 0.000 2.359 539 S HA -0.224 4.042 4.470 -0.340 0.000 0.224 539 S C 1.825 176.419 174.600 -0.011 0.000 1.035 539 S CA 1.539 59.730 58.200 -0.014 0.000 1.018 539 S CB -0.761 62.431 63.200 -0.014 0.000 0.876 539 S HN 0.197 nan 8.310 nan 0.000 0.448 540 E N 0.184 120.375 120.200 -0.015 0.000 2.150 540 E HA -0.064 4.082 4.350 -0.340 0.000 0.193 540 E C 2.478 179.059 176.600 -0.030 0.000 0.985 540 E CA 0.693 57.072 56.400 -0.035 0.000 0.814 540 E CB -0.067 29.604 29.700 -0.048 0.000 0.752 540 E HN 0.469 nan 8.360 nan 0.000 0.466 541 R N 0.561 121.074 120.500 0.021 0.000 2.075 541 R HA -0.067 4.069 4.340 -0.340 0.000 0.232 541 R C 2.575 178.949 176.300 0.123 0.000 1.126 541 R CA 0.768 56.936 56.100 0.113 0.000 0.963 541 R CB -0.364 30.029 30.300 0.156 0.000 0.858 541 R HN 0.192 nan 8.270 nan 0.000 0.435 542 L N 1.024 122.277 121.223 0.051 0.000 2.017 542 L HA -0.214 3.922 4.340 -0.340 0.000 0.208 542 L C 1.940 178.818 176.870 0.012 0.000 1.073 542 L CA 2.062 56.918 54.840 0.027 0.000 0.745 542 L CB -0.321 41.740 42.059 0.004 0.000 0.894 542 L HN 0.127 nan 8.230 nan 0.000 0.432 543 D N -0.637 119.756 120.400 -0.012 0.000 2.144 543 D HA -0.269 4.168 4.640 -0.340 0.000 0.199 543 D C 2.108 178.354 176.300 -0.090 0.000 0.984 543 D CA 1.381 55.355 54.000 -0.043 0.000 0.834 543 D CB -0.026 40.744 40.800 -0.051 0.000 0.955 543 D HN 0.317 nan 8.370 nan 0.000 0.465 544 L N 0.309 121.470 121.223 -0.102 0.000 2.056 544 L HA 0.095 4.231 4.340 -0.340 0.000 0.207 544 L C 2.154 179.005 176.870 -0.031 0.000 1.078 544 L CA 1.932 56.645 54.840 -0.211 0.000 0.749 544 L CB -0.972 40.905 42.059 -0.302 0.000 0.901 544 L HN 0.102 nan 8.230 nan 0.000 0.433 545 A N -0.299 122.619 122.820 0.164 0.000 1.883 545 A HA -0.288 3.828 4.320 -0.340 0.000 0.217 545 A C 2.471 180.065 177.584 0.017 0.000 1.186 545 A CA 2.123 54.234 52.037 0.125 0.000 0.624 545 A CB -0.700 18.311 19.000 0.018 0.000 0.822 545 A HN 0.523 nan 8.150 nan 0.000 0.444 546 K N -0.154 120.242 120.400 -0.006 0.000 2.032 546 K HA -0.197 3.919 4.320 -0.340 0.000 0.209 546 K C 2.071 178.659 176.600 -0.021 0.000 1.048 546 K CA 1.821 58.103 56.287 -0.009 0.000 0.927 546 K CB -0.205 32.291 32.500 -0.006 0.000 0.712 546 K HN 0.453 nan 8.250 nan 0.000 0.441 547 K N 0.149 120.500 120.400 -0.080 0.000 2.009 547 K HA -0.125 3.991 4.320 -0.340 0.000 0.210 547 K C 2.061 178.623 176.600 -0.063 0.000 1.049 547 K CA 1.666 57.891 56.287 -0.105 0.000 0.929 547 K CB -0.132 32.182 32.500 -0.310 0.000 0.714 547 K HN -0.009 nan 8.250 nan 0.000 0.440 548 V N 1.567 121.412 119.914 -0.114 0.000 2.343 548 V HA -0.182 3.734 4.120 -0.340 0.000 0.247 548 V C 1.529 177.658 176.094 0.057 0.000 1.051 548 V CA 0.893 63.199 62.300 0.009 0.000 1.036 548 V CB -0.374 31.491 31.823 0.070 0.000 0.654 548 V HN 0.205 nan 8.190 nan 0.000 0.451 552 S N 1.903 117.671 115.700 0.114 0.000 2.423 552 S HA 0.410 4.676 4.470 -0.340 0.000 0.231 552 S C 0.969 175.620 174.600 0.086 0.000 1.014 552 S CA 0.786 59.047 58.200 0.101 0.000 0.965 552 S CB -0.403 62.852 63.200 0.091 0.000 0.785 552 S HN 0.875 nan 8.310 nan 0.000 0.495 553 A N 1.702 124.569 122.820 0.079 0.000 2.540 553 A HA 0.300 4.417 4.320 -0.340 0.000 0.239 553 A C 0.378 177.984 177.584 0.036 0.000 1.061 553 A CA 0.252 52.324 52.037 0.059 0.000 0.758 553 A CB 0.022 19.058 19.000 0.059 0.000 0.991 553 A HN 0.275 nan 8.150 nan 0.000 0.502 554 T N 2.632 117.194 114.554 0.013 0.000 2.749 554 T HA 0.471 4.618 4.350 -0.340 0.000 0.295 554 T C 0.623 175.266 174.700 -0.094 0.000 0.936 554 T CA 0.442 62.535 62.100 -0.012 0.000 1.060 554 T CB 0.923 69.803 68.868 0.021 0.000 0.904 554 T HN 1.051 nan 8.240 nan 0.000 0.500 555 A N 4.762 127.457 122.820 -0.209 0.000 2.522 555 A HA 0.327 4.444 4.320 -0.340 0.000 0.256 555 A C 0.411 177.965 177.584 -0.052 0.000 1.086 555 A CA -0.243 51.530 52.037 -0.439 0.000 0.763 555 A CB -0.391 17.977 19.000 -1.053 0.000 1.024 555 A HN 0.879 nan 8.150 nan 0.000 0.502 556 L N 2.379 123.596 121.223 -0.008 0.000 2.397 556 L HA 0.201 4.337 4.340 -0.340 0.000 0.271 556 L C -0.072 177.038 176.870 0.399 0.000 1.148 556 L CA -0.062 54.861 54.840 0.137 0.000 0.825 556 L CB 0.461 42.490 42.059 -0.049 0.000 1.117 556 L HN 0.757 nan 8.230 nan 0.000 0.456 557 Y N 1.908 122.297 120.300 0.148 0.000 2.341 557 Y HA 0.169 4.513 4.550 -0.344 0.000 0.337 557 Y C -0.054 175.816 175.900 -0.051 0.000 1.014 557 Y CA -0.677 57.367 58.100 -0.094 0.000 1.111 557 Y CB 1.355 39.662 38.460 -0.256 0.000 1.194 557 Y HN 0.483 nan 8.280 nan 0.000 0.462 558 D N 5.428 125.271 120.400 -0.929 0.000 2.468 558 D HA 0.058 4.495 4.640 -0.340 0.000 0.218 558 D C 0.764 176.632 176.300 -0.720 0.000 1.155 558 D CA 0.177 53.588 54.000 -0.982 0.000 0.924 558 D CB 0.678 40.499 40.800 -1.632 0.000 1.029 558 D HN 0.674 nan 8.370 nan 0.000 0.515 559 E N 2.024 122.056 120.200 -0.281 0.000 2.097 559 E HA -0.190 3.956 4.350 -0.340 0.000 0.196 559 E C 1.052 177.575 176.600 -0.128 0.000 1.000 559 E CA 0.821 57.161 56.400 -0.101 0.000 0.804 559 E CB 0.213 29.951 29.700 0.064 0.000 0.740 559 E HN 0.608 nan 8.360 nan 0.000 0.454 560 D N 0.349 120.672 120.400 -0.127 0.000 2.182 560 D HA -0.151 4.285 4.640 -0.340 0.000 0.201 560 D C 1.130 177.354 176.300 -0.127 0.000 0.986 560 D CA 0.905 54.849 54.000 -0.095 0.000 0.847 560 D CB 0.268 41.026 40.800 -0.070 0.000 0.942 560 D HN 0.178 nan 8.370 nan 0.000 0.467 561 E N 0.093 120.158 120.200 -0.226 0.000 2.526 561 E HA 0.015 4.161 4.350 -0.340 0.000 0.208 561 E C 0.094 176.554 176.600 -0.234 0.000 0.997 561 E CA -0.087 56.189 56.400 -0.206 0.000 0.961 561 E CB 0.665 30.230 29.700 -0.226 0.000 1.030 561 E HN 0.047 nan 8.360 nan 0.000 0.483 562 K N 0.061 120.281 120.400 -0.300 0.000 3.257 562 K HA -0.181 3.935 4.320 -0.340 0.000 0.270 562 K C -0.338 176.054 176.600 -0.346 0.000 0.984 562 K CA 0.896 57.048 56.287 -0.225 0.000 0.739 562 K CB -2.161 30.329 32.500 -0.017 0.000 1.351 562 K HN 0.280 nan 8.250 nan 0.000 0.463 563 A N -0.080 122.258 122.820 -0.804 0.000 2.612 563 A HA 0.674 4.791 4.320 -0.340 0.000 0.293 563 A C -1.120 175.984 177.584 -0.800 0.000 1.075 563 A CA -0.962 50.751 52.037 -0.540 0.000 0.680 563 A CB 0.811 19.659 19.000 -0.252 0.000 1.279 563 A HN 0.127 nan 8.150 nan 0.000 0.411 564 Y N 0.087 120.266 120.300 -0.201 0.000 2.336 564 Y HA 0.435 4.778 4.550 -0.345 0.000 0.331 564 Y C 0.381 176.220 175.900 -0.102 0.000 1.211 564 Y CA 0.591 58.656 58.100 -0.058 0.000 1.346 564 Y CB 0.429 39.014 38.460 0.208 0.000 1.271 564 Y HN 0.537 nan 8.280 nan 0.000 0.538 565 F N 0.786 120.819 119.950 0.138 0.000 2.553 565 F HA 0.022 4.347 4.527 -0.337 0.000 0.356 565 F C 1.026 176.926 175.800 0.166 0.000 1.142 565 F CA 0.140 58.186 58.000 0.078 0.000 1.322 565 F CB 0.477 39.475 39.000 -0.003 0.000 1.126 565 F HN 0.379 nan 8.300 nan 0.000 0.599 566 S N 4.698 120.540 115.700 0.237 0.000 2.552 566 S HA 0.056 4.322 4.470 -0.340 0.000 0.289 566 S C -1.123 173.505 174.600 0.047 0.000 1.304 566 S CA -1.241 57.035 58.200 0.126 0.000 1.063 566 S CB 0.668 63.959 63.200 0.152 0.000 0.848 566 S HN 0.435 nan 8.310 nan 0.000 0.499 567 P HA -0.109 nan 4.420 nan 0.000 0.220 567 P C 0.885 178.103 177.300 -0.137 0.000 1.148 567 P CA 0.988 64.005 63.100 -0.137 0.000 0.803 567 P CB 0.041 31.451 31.700 -0.482 0.000 0.782 568 R N -0.528 119.870 120.500 -0.169 0.000 2.293 568 R HA -0.050 4.087 4.340 -0.340 0.000 0.219 568 R C 2.355 178.498 176.300 -0.262 0.000 1.091 568 R CA 1.015 57.018 56.100 -0.162 0.000 1.004 568 R CB -0.128 30.139 30.300 -0.056 0.000 0.865 568 R HN 0.409 nan 8.270 nan 0.000 0.469 569 Q N -0.784 118.805 119.800 -0.352 0.000 2.548 569 Q HA -0.049 4.088 4.340 -0.340 0.000 0.230 569 Q C 1.510 177.385 176.000 -0.208 0.000 0.899 569 Q CA 0.431 55.966 55.803 -0.447 0.000 0.936 569 Q CB 0.518 28.868 28.738 -0.648 0.000 1.114 569 Q HN 0.387 nan 8.270 nan 0.000 0.606 570 Q N -0.114 119.631 119.800 -0.092 0.000 2.319 570 Q HA 0.284 4.420 4.340 -0.340 0.000 0.202 570 Q C 0.919 176.945 176.000 0.044 0.000 0.896 570 Q CA 0.481 56.269 55.803 -0.025 0.000 0.942 570 Q CB 0.637 29.379 28.738 0.007 0.000 1.083 570 Q HN 0.247 nan 8.270 nan 0.000 0.510 571 G N 1.949 110.771 108.800 0.037 0.000 2.583 571 G HA2 -0.462 3.294 3.960 -0.340 0.000 0.292 571 G HA3 -0.462 3.294 3.960 -0.340 0.000 0.292 571 G C 0.779 175.790 174.900 0.185 0.000 1.203 571 G CA 0.617 45.751 45.100 0.057 0.000 0.987 571 G HN 0.839 nan 8.290 nan 0.000 0.554 572 A N 0.528 123.449 122.820 0.168 0.000 2.238 572 A HA 0.621 4.737 4.320 -0.340 0.000 0.208 572 A C 1.878 179.573 177.584 0.185 0.000 1.177 572 A CA 1.863 54.044 52.037 0.240 0.000 0.804 572 A CB -0.843 18.253 19.000 0.160 0.000 0.823 572 A HN 2.851 nan 8.150 nan 0.000 0.482 573 G N -2.223 106.643 108.800 0.110 0.000 2.353 573 G HA2 0.467 4.223 3.960 -0.340 0.000 0.615 573 G HA3 0.467 4.223 3.960 -0.340 0.000 0.615 573 G C -0.272 174.608 174.900 -0.033 0.000 1.280 573 G CA -0.383 44.705 45.100 -0.019 0.000 1.000 573 G HN 1.413 nan 8.290 nan 0.000 0.516 574 A N -0.562 122.205 122.820 -0.089 0.000 2.362 574 A HA 0.715 4.831 4.320 -0.340 0.000 0.276 574 A C 0.891 178.509 177.584 0.056 0.000 1.153 574 A CA 0.452 52.458 52.037 -0.051 0.000 0.813 574 A CB 1.038 19.928 19.000 -0.183 0.000 1.081 574 A HN 2.279 nan 8.150 nan 0.000 0.507 575 V N 2.985 122.962 119.914 0.105 0.000 2.694 575 V HA 0.105 4.021 4.120 -0.340 0.000 0.306 575 V C -0.154 175.993 176.094 0.090 0.000 1.054 575 V CA 0.759 63.113 62.300 0.090 0.000 1.161 575 V CB 0.876 32.753 31.823 0.090 0.000 0.916 575 V HN 0.909 nan 8.190 nan 0.000 0.490 576 D N 4.912 125.353 120.400 0.070 0.000 2.358 576 D HA 0.442 4.878 4.640 -0.340 0.000 0.253 576 D C 0.525 176.855 176.300 0.050 0.000 1.288 576 D CA 0.180 54.218 54.000 0.063 0.000 0.950 576 D CB 1.663 42.501 40.800 0.063 0.000 1.197 576 D HN 0.638 nan 8.370 nan 0.000 0.550 577 A N 4.242 127.087 122.820 0.041 0.000 1.972 577 A HA -0.177 3.939 4.320 -0.340 0.000 0.219 577 A C 2.008 179.607 177.584 0.026 0.000 1.169 577 A CA 1.403 53.455 52.037 0.025 0.000 0.635 577 A CB -0.165 18.845 19.000 0.017 0.000 0.810 577 A HN 0.559 nan 8.150 nan 0.000 0.446 578 K N -0.074 120.345 120.400 0.032 0.000 2.002 578 K HA -0.154 3.962 4.320 -0.340 0.000 0.209 578 K C 2.033 178.658 176.600 0.043 0.000 1.048 578 K CA 1.691 57.998 56.287 0.033 0.000 0.930 578 K CB -0.217 32.303 32.500 0.033 0.000 0.714 578 K HN 0.393 nan 8.250 nan 0.000 0.438 579 K N 0.048 120.479 120.400 0.051 0.000 2.097 579 K HA -0.118 3.998 4.320 -0.340 0.000 0.206 579 K C 2.167 178.810 176.600 0.072 0.000 1.049 579 K CA 1.105 57.430 56.287 0.064 0.000 0.933 579 K CB -0.134 32.408 32.500 0.070 0.000 0.717 579 K HN 0.245 nan 8.250 nan 0.000 0.442 580 A N 0.993 123.851 122.820 0.063 0.000 1.865 580 A HA -0.218 3.898 4.320 -0.340 0.000 0.217 580 A C 2.228 179.856 177.584 0.073 0.000 1.191 580 A CA 2.227 54.304 52.037 0.067 0.000 0.623 580 A CB -0.919 18.103 19.000 0.037 0.000 0.826 580 A HN 0.305 nan 8.150 nan 0.000 0.444 581 S N -0.521 115.203 115.700 0.041 0.000 2.383 581 S HA -0.027 4.239 4.470 -0.340 0.000 0.229 581 S C 1.854 176.499 174.600 0.075 0.000 1.030 581 S CA 1.563 59.785 58.200 0.037 0.000 1.002 581 S CB -0.392 62.814 63.200 0.009 0.000 0.829 581 S HN 0.871 nan 8.310 nan 0.000 0.467 582 A N 0.309 123.172 122.820 0.072 0.000 2.251 582 A HA 0.692 4.808 4.320 -0.340 0.000 0.209 582 A C 0.918 178.559 177.584 0.096 0.000 1.187 582 A CA 0.452 52.533 52.037 0.074 0.000 0.823 582 A CB -0.574 18.460 19.000 0.057 0.000 0.846 582 A HN 0.662 nan 8.150 nan 0.000 0.486 583 A N 0.789 123.683 122.820 0.123 0.000 2.477 583 A HA 0.517 4.634 4.320 -0.340 0.000 0.246 583 A C 0.794 178.480 177.584 0.170 0.000 1.078 583 A CA 0.617 52.739 52.037 0.142 0.000 0.770 583 A CB -0.206 18.889 19.000 0.158 0.000 1.011 583 A HN 0.660 nan 8.150 nan 0.000 0.494 587 V N 2.539 122.469 119.914 0.028 0.000 2.667 587 V HA 0.885 4.801 4.120 -0.340 0.000 0.308 587 V C 0.041 176.217 176.094 0.136 0.000 1.048 587 V CA 0.123 62.410 62.300 -0.021 0.000 0.928 587 V CB 1.679 33.424 31.823 -0.130 0.000 1.004 587 V HN 1.156 nan 8.190 nan 0.000 0.444 588 T N -0.982 113.661 114.554 0.148 0.000 2.831 588 T HA 0.484 4.630 4.350 -0.340 0.000 0.287 588 T C -0.624 174.156 174.700 0.133 0.000 1.070 588 T CA -0.785 61.408 62.100 0.154 0.000 1.010 588 T CB 1.805 70.765 68.868 0.153 0.000 1.264 588 T HN 0.762 nan 8.240 nan 0.000 0.532 589 D N 0.031 120.500 120.400 0.116 0.000 2.393 589 D HA 0.100 4.536 4.640 -0.340 0.000 0.246 589 D C 1.135 177.480 176.300 0.075 0.000 1.275 589 D CA -0.630 53.425 54.000 0.091 0.000 0.979 589 D CB 0.781 41.631 40.800 0.083 0.000 1.101 589 D HN 0.738 nan 8.370 nan 0.000 0.505 590 K N -0.426 120.000 120.400 0.042 0.000 2.207 590 K HA -0.229 3.888 4.320 -0.340 0.000 0.208 590 K C 0.657 177.277 176.600 0.033 0.000 1.046 590 K CA 2.015 58.315 56.287 0.021 0.000 0.929 590 K CB 0.086 32.587 32.500 0.002 0.000 0.720 590 K HN 0.369 nan 8.250 nan 0.000 0.463 591 D N -1.161 119.270 120.400 0.052 0.000 2.230 591 D HA -0.008 4.428 4.640 -0.340 0.000 0.274 591 D C 0.857 177.224 176.300 0.113 0.000 1.222 591 D CA 0.719 54.756 54.000 0.062 0.000 0.943 591 D CB -0.103 40.728 40.800 0.052 0.000 0.920 591 D HN 0.212 nan 8.370 nan 0.000 0.300 592 N N -2.327 116.435 118.700 0.103 0.000 2.183 592 N HA -0.030 4.506 4.740 -0.340 0.000 0.214 592 N C 0.302 175.845 175.510 0.055 0.000 1.441 592 N CA 0.389 53.503 53.050 0.106 0.000 1.255 592 N CB -0.289 38.277 38.487 0.131 0.000 1.072 592 N HN -0.035 nan 8.380 nan 0.000 0.650 593 T N -1.002 113.586 114.554 0.056 0.000 2.770 593 T HA 0.075 4.221 4.350 -0.340 0.000 0.263 593 T C 0.753 175.478 174.700 0.042 0.000 1.039 593 T CA 1.480 63.606 62.100 0.043 0.000 1.142 593 T CB -0.171 68.725 68.868 0.047 0.000 0.868 593 T HN 0.443 nan 8.240 nan 0.000 0.435 594 S N -0.091 115.645 115.700 0.059 0.000 2.704 594 S HA 0.575 4.841 4.470 -0.340 0.000 0.296 594 S C -0.045 174.602 174.600 0.078 0.000 1.138 594 S CA -0.925 57.311 58.200 0.061 0.000 0.875 594 S CB 2.132 65.372 63.200 0.066 0.000 1.151 594 S HN 0.026 nan 8.310 nan 0.000 0.500 595 S N 0.044 115.790 115.700 0.076 0.000 2.601 595 S HA 0.388 4.654 4.470 -0.340 0.000 0.244 595 S C -0.459 174.204 174.600 0.104 0.000 1.001 595 S CA -0.490 57.769 58.200 0.098 0.000 0.984 595 S CB -0.414 62.839 63.200 0.088 0.000 0.842 595 S HN 0.564 nan 8.310 nan 0.000 0.474 596 K N 0.937 121.395 120.400 0.097 0.000 2.498 596 K HA 0.630 4.747 4.320 -0.340 0.000 0.254 596 K C -1.430 175.245 176.600 0.126 0.000 0.933 596 K CA -0.531 55.811 56.287 0.092 0.000 0.806 596 K CB 2.552 35.084 32.500 0.053 0.000 1.301 596 K HN -0.076 nan 8.250 nan 0.000 0.432 597 V N 3.481 123.474 119.914 0.133 0.000 2.495 597 V HA 0.410 4.326 4.120 -0.340 0.000 0.298 597 V C -0.777 175.422 176.094 0.175 0.000 1.031 597 V CA -0.763 61.627 62.300 0.149 0.000 0.871 597 V CB 1.413 33.323 31.823 0.145 0.000 0.988 597 V HN 0.840 nan 8.190 nan 0.000 0.432 598 H N 4.990 124.072 119.070 0.019 0.000 2.667 598 H HA 0.536 4.889 4.556 -0.339 0.000 0.353 598 H C -0.757 174.563 175.328 -0.013 0.000 1.072 598 H CA -1.082 54.960 56.048 -0.010 0.000 1.214 598 H CB 1.679 31.413 29.762 -0.047 0.000 1.600 598 H HN 0.482 nan 8.280 nan 0.000 0.527 599 L N 2.104 123.281 121.223 -0.077 0.000 2.693 599 L HA 0.131 4.267 4.340 -0.340 0.000 0.235 599 L C 0.171 176.982 176.870 -0.100 0.000 1.127 599 L CA -0.156 54.594 54.840 -0.149 0.000 0.914 599 L CB -0.403 41.536 42.059 -0.199 0.000 1.193 599 L HN 0.654 nan 8.230 nan 0.000 0.502 600 N N -0.242 118.450 118.700 -0.013 0.000 1.191 600 N HA -0.262 4.274 4.740 -0.340 0.000 0.120 600 N C -0.175 175.355 175.510 0.033 0.000 0.826 600 N CA 1.473 54.539 53.050 0.028 0.000 0.876 600 N CB -0.788 37.722 38.487 0.038 0.000 1.050 600 N HN 0.174 nan 8.380 nan 0.000 0.603 601 N N 0.506 119.243 118.700 0.061 0.000 2.492 601 N HA 0.392 4.928 4.740 -0.340 0.000 0.262 601 N C -0.915 174.574 175.510 -0.034 0.000 1.202 601 N CA 0.075 53.167 53.050 0.070 0.000 0.926 601 N CB 1.034 39.577 38.487 0.093 0.000 1.078 601 N HN 0.349 nan 8.380 nan 0.000 0.454 602 V N 0.297 120.160 119.914 -0.085 0.000 3.114 602 V HA 0.462 4.378 4.120 -0.340 0.000 0.308 602 V C 0.057 176.118 176.094 -0.054 0.000 1.168 602 V CA -0.589 61.632 62.300 -0.133 0.000 1.015 602 V CB 2.213 33.775 31.823 -0.436 0.000 1.050 602 V HN 0.897 nan 8.190 nan 0.000 0.433 603 S N 1.713 117.447 115.700 0.057 0.000 2.647 603 S HA 0.358 4.624 4.470 -0.340 0.000 0.284 603 S C 0.600 175.321 174.600 0.202 0.000 1.134 603 S CA -0.134 58.114 58.200 0.081 0.000 1.027 603 S CB 0.790 64.039 63.200 0.082 0.000 1.180 603 S HN 0.708 nan 8.310 nan 0.000 0.521 604 D N 0.675 121.179 120.400 0.173 0.000 2.264 604 D HA 0.065 4.502 4.640 -0.340 0.000 0.208 604 D C -0.076 176.352 176.300 0.214 0.000 0.966 604 D CA 1.122 55.255 54.000 0.222 0.000 0.864 604 D CB -0.040 40.854 40.800 0.157 0.000 0.933 604 D HN 0.471 nan 8.370 nan 0.000 0.499 605 K N 0.321 120.830 120.400 0.182 0.000 2.358 605 K HA 0.450 4.567 4.320 -0.340 0.000 0.260 605 K C -0.509 176.203 176.600 0.187 0.000 0.956 605 K CA -0.594 55.741 56.287 0.080 0.000 0.834 605 K CB 1.576 34.104 32.500 0.047 0.000 1.102 605 K HN -0.091 nan 8.250 nan 0.000 0.431 606 F N -0.648 119.323 119.950 0.034 0.000 2.831 606 F HA 0.490 4.835 4.527 -0.303 0.000 0.318 606 F C -1.478 174.311 175.800 -0.019 0.000 1.174 606 F CA -1.269 56.734 58.000 0.006 0.000 0.918 606 F CB 1.215 40.219 39.000 0.007 0.000 1.364 606 F HN 0.460 nan 8.300 nan 0.000 0.475 607 E N 0.530 120.856 120.200 0.210 0.000 2.367 607 E HA 0.717 4.863 4.350 -0.340 0.000 0.273 607 E C -2.089 174.568 176.600 0.096 0.000 0.903 607 E CA -1.229 55.195 56.400 0.040 0.000 0.764 607 E CB 2.803 32.510 29.700 0.010 0.000 1.252 607 E HN 0.542 nan 8.360 nan 0.000 0.446 608 V N 1.795 121.681 119.914 -0.046 0.000 2.384 608 V HA 0.399 4.315 4.120 -0.340 0.000 0.287 608 V C -0.526 175.529 176.094 -0.064 0.000 1.020 608 V CA -0.482 61.758 62.300 -0.099 0.000 0.850 608 V CB 1.655 33.273 31.823 -0.342 0.000 0.987 608 V HN 0.796 nan 8.190 nan 0.000 0.436 609 T N 4.858 119.393 114.554 -0.032 0.000 2.807 609 T HA 0.707 4.854 4.350 -0.340 0.000 0.279 609 T C -0.359 174.340 174.700 -0.001 0.000 0.993 609 T CA -0.436 61.650 62.100 -0.023 0.000 0.970 609 T CB 1.603 70.460 68.868 -0.019 0.000 0.950 609 T HN 0.719 nan 8.240 nan 0.000 0.441 610 V N 1.114 121.033 119.914 0.008 0.000 3.102 610 V HA 0.789 4.706 4.120 -0.340 0.000 0.312 610 V C -1.120 174.972 176.094 -0.004 0.000 1.135 610 V CA -1.325 61.000 62.300 0.042 0.000 1.022 610 V CB 2.286 34.182 31.823 0.122 0.000 1.056 610 V HN 0.703 nan 8.190 nan 0.000 0.436 611 N N 0.607 119.302 118.700 -0.009 0.000 2.392 611 N HA 0.698 5.235 4.740 -0.340 0.000 0.283 611 N C -0.910 174.492 175.510 -0.179 0.000 1.003 611 N CA -0.403 52.573 53.050 -0.123 0.000 0.892 611 N CB 2.009 40.416 38.487 -0.133 0.000 1.193 611 N HN 0.706 nan 8.380 nan 0.000 0.487 612 V N 2.912 122.637 119.914 -0.315 0.000 2.394 612 V HA 0.241 4.157 4.120 -0.340 0.000 0.282 612 V C -0.277 175.531 176.094 -0.477 0.000 1.031 612 V CA -0.567 61.513 62.300 -0.366 0.000 0.881 612 V CB 0.609 32.205 31.823 -0.379 0.000 0.982 612 V HN 0.665 nan 8.190 nan 0.000 0.451 613 H N 3.955 122.683 119.070 -0.570 0.000 2.581 613 H HA 0.296 4.648 4.556 -0.340 0.000 0.308 613 H C -0.490 174.589 175.328 -0.413 0.000 1.040 613 H CA -0.572 55.120 56.048 -0.593 0.000 1.231 613 H CB 1.473 30.566 29.762 -1.116 0.000 1.396 613 H HN 0.515 nan 8.280 nan 0.000 0.467 614 N N 3.051 121.665 118.700 -0.144 0.000 2.462 614 N HA 0.012 4.548 4.740 -0.340 0.000 0.242 614 N C 0.487 175.998 175.510 0.001 0.000 1.010 614 N CA -0.439 52.575 53.050 -0.060 0.000 0.939 614 N CB 0.739 39.191 38.487 -0.059 0.000 1.127 614 N HN 0.436 nan 8.380 nan 0.000 0.509 615 K N 0.674 121.111 120.400 0.062 0.000 2.404 615 K HA 0.078 4.195 4.320 -0.340 0.000 0.194 615 K C 0.441 177.104 176.600 0.104 0.000 1.023 615 K CA -0.030 56.316 56.287 0.098 0.000 1.094 615 K CB 0.035 32.627 32.500 0.154 0.000 0.841 615 K HN 0.389 nan 8.250 nan 0.000 0.523 616 S N 2.111 117.855 115.700 0.073 0.000 2.632 616 S HA 0.035 4.301 4.470 -0.340 0.000 0.267 616 S C 0.714 175.339 174.600 0.042 0.000 1.276 616 S CA -0.543 57.694 58.200 0.061 0.000 0.998 616 S CB 0.802 64.031 63.200 0.048 0.000 0.953 616 S HN 0.316 nan 8.310 nan 0.000 0.547 617 D N 1.497 121.920 120.400 0.037 0.000 2.319 617 D HA 0.139 4.575 4.640 -0.340 0.000 0.230 617 D C -0.221 176.090 176.300 0.018 0.000 1.094 617 D CA 0.110 54.126 54.000 0.026 0.000 0.856 617 D CB 0.133 40.948 40.800 0.025 0.000 0.915 617 D HN 0.301 nan 8.370 nan 0.000 0.517 618 K N 1.051 121.462 120.400 0.017 0.000 2.435 618 K HA 0.412 4.528 4.320 -0.340 0.000 0.251 618 K C -2.807 173.797 176.600 0.007 0.000 0.954 618 K CA -2.083 54.211 56.287 0.012 0.000 0.820 618 K CB 2.601 35.110 32.500 0.015 0.000 1.292 618 K HN -0.144 nan 8.250 nan 0.000 0.436 619 P HA 0.002 nan 4.420 nan 0.000 0.271 619 P C -1.123 176.176 177.300 -0.001 0.000 1.216 619 P CA -0.151 62.947 63.100 -0.003 0.000 0.776 619 P CB 0.808 32.505 31.700 -0.004 0.000 0.881 620 Q N 2.218 122.015 119.800 -0.006 0.000 2.333 620 Q HA 0.325 4.461 4.340 -0.340 0.000 0.268 620 Q C -0.428 175.569 176.000 -0.004 0.000 1.007 620 Q CA -0.343 55.460 55.803 0.000 0.000 0.810 620 Q CB 2.154 30.892 28.738 -0.000 0.000 1.264 620 Q HN 0.483 nan 8.270 nan 0.000 0.452 621 E N 3.338 123.534 120.200 -0.007 0.000 2.156 621 E HA 0.579 4.725 4.350 -0.340 0.000 0.279 621 E C -0.421 176.154 176.600 -0.042 0.000 0.965 621 E CA -0.281 56.094 56.400 -0.043 0.000 0.789 621 E CB 1.097 30.760 29.700 -0.062 0.000 1.098 621 E HN 0.398 nan 8.360 nan 0.000 0.397 622 L N -0.331 120.859 121.223 -0.056 0.000 2.403 622 L HA 0.639 4.775 4.340 -0.340 0.000 0.253 622 L C -1.186 175.655 176.870 -0.049 0.000 1.045 622 L CA -1.352 53.511 54.840 0.038 0.000 0.845 622 L CB 1.086 43.288 42.059 0.239 0.000 1.447 622 L HN 0.364 nan 8.230 nan 0.000 0.411 623 Y N 0.199 120.644 120.300 0.242 0.000 2.429 623 Y HA 0.708 5.052 4.550 -0.343 0.000 0.342 623 Y C -0.592 175.582 175.900 0.456 0.000 1.004 623 Y CA -0.501 57.747 58.100 0.246 0.000 1.075 623 Y CB 1.985 40.472 38.460 0.044 0.000 1.214 623 Y HN 0.577 nan 8.280 nan 0.000 0.455 624 Y N -0.274 120.286 120.300 0.433 0.000 2.615 624 Y HA 0.802 5.149 4.550 -0.339 0.000 0.341 624 Y C -1.205 174.622 175.900 -0.121 0.000 1.089 624 Y CA -1.356 56.750 58.100 0.009 0.000 1.049 624 Y CB 1.760 39.889 38.460 -0.552 0.000 1.296 624 Y HN 0.647 nan 8.280 nan 0.000 0.470 625 Q N 1.576 121.184 119.800 -0.320 0.000 2.687 625 Q HA 0.889 5.025 4.340 -0.340 0.000 0.295 625 Q C -2.199 173.604 176.000 -0.329 0.000 0.920 625 Q CA -1.221 54.276 55.803 -0.510 0.000 0.766 625 Q CB 2.012 30.060 28.738 -1.150 0.000 1.467 625 Q HN 1.267 nan 8.270 nan 0.000 0.415 626 A N 0.806 123.462 122.820 -0.274 0.000 2.371 626 A HA 0.785 4.901 4.320 -0.340 0.000 0.311 626 A C -0.448 177.033 177.584 -0.171 0.000 1.068 626 A CA -0.236 51.713 52.037 -0.147 0.000 0.744 626 A CB 1.731 20.647 19.000 -0.140 0.000 1.239 626 A HN 0.773 nan 8.150 nan 0.000 0.435 627 T N -0.764 113.763 114.554 -0.045 0.000 2.907 627 T HA 0.674 4.821 4.350 -0.340 0.000 0.284 627 T C -0.444 174.251 174.700 -0.009 0.000 1.004 627 T CA -0.599 61.469 62.100 -0.053 0.000 1.063 627 T CB 1.207 70.090 68.868 0.025 0.000 0.992 627 T HN 0.703 nan 8.240 nan 0.000 0.483 628 V N 4.106 123.943 119.914 -0.128 0.000 2.531 628 V HA 0.634 4.550 4.120 -0.340 0.000 0.301 628 V C -0.255 175.818 176.094 -0.035 0.000 1.034 628 V CA -0.754 61.502 62.300 -0.074 0.000 0.865 628 V CB 1.171 32.822 31.823 -0.287 0.000 0.995 628 V HN 1.161 nan 8.190 nan 0.000 0.424 629 Q N 2.712 122.523 119.800 0.018 0.000 2.648 629 Q HA 0.832 4.969 4.340 -0.340 0.000 0.300 629 Q C -1.093 174.957 176.000 0.082 0.000 0.954 629 Q CA -0.708 55.111 55.803 0.026 0.000 0.757 629 Q CB 2.638 31.411 28.738 0.058 0.000 1.482 629 Q HN 0.540 nan 8.270 nan 0.000 0.437 630 T N -1.140 113.473 114.554 0.099 0.000 2.598 630 T HA 0.320 4.467 4.350 -0.340 0.000 0.289 630 T C -1.525 173.308 174.700 0.222 0.000 1.056 630 T CA -0.418 61.803 62.100 0.201 0.000 1.088 630 T CB 1.384 70.362 68.868 0.182 0.000 1.519 630 T HN 0.627 nan 8.240 nan 0.000 0.488 631 D N 2.101 122.687 120.400 0.309 0.000 2.210 631 D HA 0.321 4.757 4.640 -0.340 0.000 0.249 631 D C -0.375 176.073 176.300 0.246 0.000 1.062 631 D CA -0.215 53.992 54.000 0.344 0.000 0.891 631 D CB 1.485 42.628 40.800 0.572 0.000 1.186 631 D HN 0.396 nan 8.370 nan 0.000 0.432 632 K N 1.261 121.779 120.400 0.197 0.000 2.249 632 K HA 0.375 4.491 4.320 -0.340 0.000 0.280 632 K C -0.996 175.681 176.600 0.129 0.000 1.033 632 K CA -0.484 55.872 56.287 0.115 0.000 0.946 632 K CB 0.797 33.342 32.500 0.075 0.000 1.005 632 K HN 0.107 nan 8.250 nan 0.000 0.469 633 V N 3.088 123.030 119.914 0.047 0.000 2.628 633 V HA 0.195 4.112 4.120 -0.340 0.000 0.306 633 V C -0.866 175.221 176.094 -0.012 0.000 1.045 633 V CA -0.693 61.594 62.300 -0.022 0.000 0.905 633 V CB 1.807 33.557 31.823 -0.122 0.000 0.997 633 V HN 0.855 nan 8.190 nan 0.000 0.436 634 D N 2.628 123.027 120.400 -0.002 0.000 2.408 634 D HA 0.552 4.989 4.640 -0.340 0.000 0.261 634 D C 0.584 176.894 176.300 0.017 0.000 1.190 634 D CA 0.958 54.971 54.000 0.023 0.000 0.910 634 D CB 0.913 41.748 40.800 0.059 0.000 1.097 634 D HN 0.858 nan 8.370 nan 0.000 0.522 635 G N 4.616 113.402 108.800 -0.024 0.000 2.565 635 G HA2 -0.335 3.421 3.960 -0.340 0.000 0.295 635 G HA3 -0.335 3.421 3.960 -0.340 0.000 0.295 635 G C 0.890 175.714 174.900 -0.127 0.000 1.165 635 G CA 0.233 45.302 45.100 -0.050 0.000 0.977 635 G HN 0.459 nan 8.290 nan 0.000 0.546 636 K N 1.985 122.262 120.400 -0.205 0.000 2.444 636 K HA 0.127 4.243 4.320 -0.340 0.000 0.193 636 K C 0.712 177.018 176.600 -0.491 0.000 1.024 636 K CA 0.614 56.684 56.287 -0.361 0.000 1.077 636 K CB 0.057 32.299 32.500 -0.430 0.000 0.833 636 K HN 0.676 nan 8.250 nan 0.000 0.517 637 H N -0.842 118.174 119.070 -0.090 0.000 2.670 637 H HA 0.264 4.616 4.556 -0.340 0.000 0.361 637 H C -0.333 174.905 175.328 -0.150 0.000 1.169 637 H CA -0.921 55.080 56.048 -0.078 0.000 1.198 637 H CB 0.794 30.574 29.762 0.029 0.000 1.700 637 H HN -0.186 nan 8.280 nan 0.000 0.542 638 F N 0.135 120.122 119.950 0.062 0.000 2.429 638 F HA 0.196 4.517 4.527 -0.342 0.000 0.348 638 F C 1.388 177.147 175.800 -0.069 0.000 1.109 638 F CA -0.217 57.742 58.000 -0.068 0.000 1.232 638 F CB 1.010 39.826 39.000 -0.307 0.000 1.157 638 F HN 0.666 nan 8.300 nan 0.000 0.564 639 A N 2.775 125.679 122.820 0.140 0.000 2.169 639 A HA 0.203 4.319 4.320 -0.340 0.000 0.212 639 A C 0.797 178.390 177.584 0.014 0.000 1.153 639 A CA 0.036 52.113 52.037 0.067 0.000 0.756 639 A CB -0.359 18.679 19.000 0.063 0.000 0.813 639 A HN 0.688 nan 8.150 nan 0.000 0.471 640 L N -2.632 118.572 121.223 -0.031 0.000 3.512 640 L HA -0.171 3.965 4.340 -0.340 0.000 0.446 640 L C 0.136 177.127 176.870 0.203 0.000 1.290 640 L CA 0.767 55.560 54.840 -0.078 0.000 0.871 640 L CB -2.417 39.556 42.059 -0.144 0.000 1.767 640 L HN 0.842 nan 8.230 nan 0.000 0.855 641 A N -0.427 122.511 122.820 0.197 0.000 2.572 641 A HA 0.959 5.075 4.320 -0.340 0.000 0.295 641 A C -2.755 174.939 177.584 0.183 0.000 1.072 641 A CA -0.895 51.253 52.037 0.186 0.000 0.691 641 A CB 2.198 21.244 19.000 0.076 0.000 1.291 641 A HN 0.026 nan 8.150 nan 0.000 0.404 642 P HA 0.448 nan 4.420 nan 0.000 0.281 642 P C -1.224 176.090 177.300 0.023 0.000 1.249 642 P CA -0.294 62.855 63.100 0.082 0.000 0.810 642 P CB 1.391 33.091 31.700 -0.000 0.000 1.008 643 K N 2.654 123.081 120.400 0.044 0.000 2.559 643 K HA 0.305 4.422 4.320 -0.340 0.000 0.249 643 K C -1.303 175.288 176.600 -0.014 0.000 0.958 643 K CA -1.083 55.208 56.287 0.007 0.000 0.901 643 K CB 0.403 32.915 32.500 0.020 0.000 1.124 643 K HN 0.207 nan 8.250 nan 0.000 0.437 644 V N 6.609 126.506 119.914 -0.028 0.000 2.637 644 V HA 0.201 4.117 4.120 -0.340 0.000 0.296 644 V C 0.330 176.381 176.094 -0.071 0.000 1.046 644 V CA 0.269 62.560 62.300 -0.015 0.000 1.066 644 V CB 0.412 32.245 31.823 0.016 0.000 0.968 644 V HN 0.907 nan 8.190 nan 0.000 0.483 645 L N 5.851 126.999 121.223 -0.124 0.000 2.453 645 L HA 0.431 4.567 4.340 -0.340 0.000 0.190 645 L C -0.002 176.885 176.870 0.028 0.000 1.093 645 L CA 0.249 54.876 54.840 -0.355 0.000 0.834 645 L CB 0.148 41.797 42.059 -0.684 0.000 1.090 645 L HN 0.847 nan 8.230 nan 0.000 0.489 646 Y N -1.698 118.560 120.300 -0.070 0.000 2.732 646 Y HA 0.574 5.127 4.550 0.006 0.000 0.342 646 Y C -1.910 174.021 175.900 0.051 0.000 1.203 646 Y CA -1.466 56.666 58.100 0.053 0.000 1.092 646 Y CB 0.963 39.513 38.460 0.150 0.000 1.345 646 Y HN -0.147 nan 8.280 nan 0.000 0.458 647 E N 1.310 121.500 120.200 -0.017 0.000 2.222 647 E HA 0.433 4.579 4.350 -0.340 0.000 0.267 647 E C -0.717 175.809 176.600 -0.124 0.000 0.884 647 E CA -0.892 55.401 56.400 -0.178 0.000 0.764 647 E CB 1.986 31.642 29.700 -0.074 0.000 1.169 647 E HN 0.735 nan 8.360 nan 0.000 0.413 648 T N -0.427 113.982 114.554 -0.243 0.000 2.802 648 T HA 0.279 4.426 4.350 -0.340 0.000 0.305 648 T C 0.543 175.108 174.700 -0.224 0.000 1.053 648 T CA -0.876 61.151 62.100 -0.122 0.000 1.058 648 T CB 0.617 69.394 68.868 -0.152 0.000 0.988 648 T HN 0.411 nan 8.240 nan 0.000 0.539 649 S N 0.480 116.107 115.700 -0.122 0.000 2.576 649 S HA 0.197 4.463 4.470 -0.340 0.000 0.276 649 S C -0.455 174.035 174.600 -0.184 0.000 1.339 649 S CA -1.107 57.025 58.200 -0.113 0.000 1.039 649 S CB -0.282 62.914 63.200 -0.006 0.000 0.902 649 S HN 0.745 nan 8.310 nan 0.000 0.516 650 W N 1.736 122.990 121.300 -0.077 0.000 2.264 650 W HA 0.352 4.821 4.660 -0.318 0.000 0.331 650 W C 0.595 177.025 176.519 -0.148 0.000 1.364 650 W CA -0.112 57.165 57.345 -0.113 0.000 1.253 650 W CB 0.206 29.626 29.460 -0.067 0.000 1.215 650 W HN 0.625 nan 8.180 nan 0.000 0.561 651 Q N 2.346 122.044 119.800 -0.170 0.000 2.348 651 Q HA 0.441 4.578 4.340 -0.340 0.000 0.271 651 Q C -0.505 175.333 176.000 -0.270 0.000 1.067 651 Q CA -1.030 54.564 55.803 -0.349 0.000 0.839 651 Q CB 2.065 30.352 28.738 -0.753 0.000 1.354 651 Q HN 0.289 nan 8.270 nan 0.000 0.447 652 K N 0.953 121.300 120.400 -0.089 0.000 2.110 652 K HA 0.680 4.797 4.320 -0.340 0.000 0.263 652 K C -1.036 175.619 176.600 0.091 0.000 0.975 652 K CA -0.739 55.491 56.287 -0.096 0.000 0.895 652 K CB 1.154 33.572 32.500 -0.135 0.000 1.060 652 K HN 0.413 nan 8.250 nan 0.000 0.448 653 I N 0.391 121.015 120.570 0.089 0.000 2.787 653 I HA 0.180 4.147 4.170 -0.340 0.000 0.294 653 I C -1.528 174.615 176.117 0.042 0.000 1.365 653 I CA 0.000 61.386 61.300 0.143 0.000 1.029 653 I CB 2.618 40.785 38.000 0.279 0.000 1.313 653 I HN 0.506 nan 8.210 nan 0.000 0.431 654 T N 7.414 121.979 114.554 0.019 0.000 2.824 654 T HA 0.682 4.828 4.350 -0.340 0.000 0.282 654 T C -0.792 173.900 174.700 -0.013 0.000 0.993 654 T CA -0.143 61.953 62.100 -0.006 0.000 0.967 654 T CB 1.018 69.877 68.868 -0.014 0.000 0.960 654 T HN 0.258 nan 8.240 nan 0.000 0.441 655 I N 5.283 125.840 120.570 -0.023 0.000 2.354 655 I HA 0.361 4.327 4.170 -0.340 0.000 0.286 655 I C -2.304 173.790 176.117 -0.038 0.000 1.007 655 I CA -2.426 58.846 61.300 -0.045 0.000 1.167 655 I CB 1.143 39.099 38.000 -0.074 0.000 1.320 655 I HN 0.331 nan 8.210 nan 0.000 0.458 656 P HA 0.072 nan 4.420 nan 0.000 0.270 656 P C -0.418 176.866 177.300 -0.026 0.000 1.221 656 P CA -0.242 62.842 63.100 -0.026 0.000 0.788 656 P CB 0.506 32.190 31.700 -0.027 0.000 0.904 657 A N 2.145 124.957 122.820 -0.013 0.000 2.483 657 A HA 0.088 4.205 4.320 -0.340 0.000 0.238 657 A C 0.499 178.079 177.584 -0.008 0.000 1.070 657 A CA -0.135 51.898 52.037 -0.006 0.000 0.770 657 A CB -0.845 18.157 19.000 0.004 0.000 1.008 657 A HN 0.757 nan 8.150 nan 0.000 0.497 658 N N -0.114 118.585 118.700 -0.001 0.000 2.688 658 N HA -0.182 4.354 4.740 -0.340 0.000 0.258 658 N C -0.151 175.348 175.510 -0.019 0.000 1.016 658 N CA 1.358 54.409 53.050 0.001 0.000 0.747 658 N CB -1.432 37.062 38.487 0.010 0.000 0.895 658 N HN 1.250 nan 8.380 nan 0.000 0.543 659 S N -2.652 113.021 115.700 -0.044 0.000 2.643 659 S HA 0.699 4.965 4.470 -0.340 0.000 0.270 659 S C -0.658 173.858 174.600 -0.140 0.000 1.166 659 S CA -0.833 57.323 58.200 -0.073 0.000 0.815 659 S CB 2.357 65.519 63.200 -0.064 0.000 1.139 659 S HN 0.052 nan 8.310 nan 0.000 0.472 660 S N 0.375 115.961 115.700 -0.190 0.000 2.578 660 S HA 0.862 5.128 4.470 -0.340 0.000 0.301 660 S C -0.920 173.529 174.600 -0.251 0.000 1.091 660 S CA -0.770 57.222 58.200 -0.346 0.000 1.032 660 S CB 1.392 64.306 63.200 -0.476 0.000 1.064 660 S HN 0.812 nan 8.310 nan 0.000 0.508 661 K N 1.692 121.927 120.400 -0.275 0.000 2.553 661 K HA 0.270 4.386 4.320 -0.340 0.000 0.250 661 K C -1.284 175.210 176.600 -0.176 0.000 0.953 661 K CA -0.231 55.949 56.287 -0.179 0.000 0.800 661 K CB 1.247 33.669 32.500 -0.130 0.000 1.243 661 K HN 0.593 nan 8.250 nan 0.000 0.435 662 Q N 2.108 121.829 119.800 -0.131 0.000 2.314 662 Q HA 0.415 4.552 4.340 -0.340 0.000 0.258 662 Q C -0.843 175.094 176.000 -0.105 0.000 0.954 662 Q CA -0.593 55.146 55.803 -0.107 0.000 0.890 662 Q CB 1.366 30.058 28.738 -0.076 0.000 1.210 662 Q HN 0.419 nan 8.270 nan 0.000 0.410 663 V N 2.310 122.153 119.914 -0.118 0.000 2.588 663 V HA 0.422 4.338 4.120 -0.340 0.000 0.304 663 V C -0.431 175.581 176.094 -0.136 0.000 1.042 663 V CA -0.705 61.472 62.300 -0.205 0.000 0.877 663 V CB 2.181 33.775 31.823 -0.381 0.000 0.996 663 V HN 0.755 nan 8.190 nan 0.000 0.425 664 T N 3.842 118.345 114.554 -0.085 0.000 2.824 664 T HA 0.614 4.760 4.350 -0.340 0.000 0.282 664 T C -0.623 174.095 174.700 0.031 0.000 0.993 664 T CA -0.408 61.675 62.100 -0.028 0.000 0.967 664 T CB 1.713 70.576 68.868 -0.007 0.000 0.960 664 T HN 0.366 nan 8.240 nan 0.000 0.441 665 V N 6.502 126.414 119.914 -0.003 0.000 2.378 665 V HA 0.437 4.354 4.120 -0.340 0.000 0.288 665 V C -2.160 173.887 176.094 -0.077 0.000 1.016 665 V CA -2.139 60.164 62.300 0.005 0.000 0.840 665 V CB 1.545 33.353 31.823 -0.025 0.000 0.994 665 V HN 0.691 nan 8.190 nan 0.000 0.431 666 P HA 0.385 nan 4.420 nan 0.000 0.280 666 P C -1.132 176.065 177.300 -0.171 0.000 1.244 666 P CA -0.165 62.874 63.100 -0.103 0.000 0.784 666 P CB 1.499 33.171 31.700 -0.047 0.000 0.913 667 I N 2.785 123.145 120.570 -0.350 0.000 2.465 667 I HA 0.342 4.309 4.170 -0.340 0.000 0.291 667 I C -0.085 175.837 176.117 -0.325 0.000 1.014 667 I CA -0.374 60.662 61.300 -0.440 0.000 1.093 667 I CB 1.654 38.998 38.000 -1.093 0.000 1.267 667 I HN 0.317 nan 8.210 nan 0.000 0.431 668 D N 5.247 125.647 120.400 0.001 0.000 2.421 668 D HA 0.562 4.998 4.640 -0.340 0.000 0.254 668 D C -0.118 176.276 176.300 0.158 0.000 1.238 668 D CA -0.293 53.723 54.000 0.026 0.000 0.919 668 D CB 1.778 42.571 40.800 -0.011 0.000 1.152 668 D HN 0.620 nan 8.370 nan 0.000 0.552 669 A N 2.549 125.511 122.820 0.236 0.000 2.535 669 A HA 0.180 4.296 4.320 -0.340 0.000 0.273 669 A C 1.668 179.452 177.584 0.334 0.000 1.267 669 A CA 0.332 52.635 52.037 0.444 0.000 0.940 669 A CB -0.163 19.142 19.000 0.509 0.000 1.101 669 A HN 0.459 nan 8.150 nan 0.000 0.521 670 S N 0.225 116.015 115.700 0.149 0.000 2.419 670 S HA -0.224 4.042 4.470 -0.340 0.000 0.235 670 S C 1.880 176.478 174.600 -0.003 0.000 1.019 670 S CA 1.198 59.449 58.200 0.085 0.000 0.982 670 S CB -0.498 62.721 63.200 0.032 0.000 0.789 670 S HN 0.631 nan 8.310 nan 0.000 0.490 671 R N 0.240 120.651 120.500 -0.149 0.000 2.159 671 R HA -0.031 4.106 4.340 -0.340 0.000 0.237 671 R C 0.985 177.013 176.300 -0.453 0.000 1.131 671 R CA 1.515 57.375 56.100 -0.401 0.000 0.982 671 R CB -0.247 29.615 30.300 -0.730 0.000 0.868 671 R HN 0.604 nan 8.270 nan 0.000 0.453 672 F N -0.542 119.413 119.950 0.008 0.000 2.746 672 F HA 0.070 4.368 4.527 -0.382 0.000 0.297 672 F C 2.393 178.184 175.800 -0.014 0.000 1.113 672 F CA 0.322 58.321 58.000 -0.002 0.000 1.367 672 F CB 0.055 39.063 39.000 0.014 0.000 1.111 672 F HN 0.016 nan 8.300 nan 0.000 0.590 673 S N 0.979 116.798 115.700 0.199 0.000 2.365 673 S HA -0.334 3.933 4.470 -0.340 0.000 0.225 673 S C 2.124 176.781 174.600 0.094 0.000 1.039 673 S CA 1.633 59.947 58.200 0.191 0.000 1.033 673 S CB -0.665 62.655 63.200 0.200 0.000 0.887 673 S HN 0.457 nan 8.310 nan 0.000 0.447 674 K N 1.261 121.692 120.400 0.051 0.000 2.034 674 K HA -0.235 3.881 4.320 -0.340 0.000 0.214 674 K C 1.674 178.277 176.600 0.006 0.000 1.051 674 K CA 2.165 58.465 56.287 0.022 0.000 0.931 674 K CB -0.463 32.037 32.500 -0.001 0.000 0.715 674 K HN 0.360 nan 8.250 nan 0.000 0.446 675 D N 0.657 121.058 120.400 0.002 0.000 2.084 675 D HA -0.136 4.301 4.640 -0.340 0.000 0.196 675 D C 2.062 178.325 176.300 -0.062 0.000 0.985 675 D CA 1.103 55.094 54.000 -0.015 0.000 0.826 675 D CB -0.276 40.532 40.800 0.013 0.000 0.978 675 D HN 0.231 nan 8.370 nan 0.000 0.456 676 L N 0.332 121.478 121.223 -0.129 0.000 2.042 676 L HA -0.152 3.984 4.340 -0.340 0.000 0.210 676 L C 2.578 179.314 176.870 -0.223 0.000 1.076 676 L CA 0.720 55.352 54.840 -0.347 0.000 0.749 676 L CB -0.411 41.111 42.059 -0.896 0.000 0.893 676 L HN 0.062 nan 8.230 nan 0.000 0.432 677 L N -0.422 120.779 121.223 -0.037 0.000 2.131 677 L HA -0.184 3.953 4.340 -0.340 0.000 0.210 677 L C 2.819 179.697 176.870 0.013 0.000 1.092 677 L CA 0.951 55.845 54.840 0.090 0.000 0.759 677 L CB -0.567 41.562 42.059 0.118 0.000 0.903 677 L HN 0.258 nan 8.230 nan 0.000 0.435 678 A N -0.795 122.014 122.820 -0.020 0.000 1.969 678 A HA -0.120 3.996 4.320 -0.340 0.000 0.218 678 A C 1.368 178.919 177.584 -0.056 0.000 1.169 678 A CA 0.859 52.876 52.037 -0.033 0.000 0.635 678 A CB -0.206 18.775 19.000 -0.032 0.000 0.810 678 A HN 0.425 nan 8.150 nan 0.000 0.445 682 N N 1.727 120.429 118.700 0.003 0.000 2.251 682 N HA 0.202 4.739 4.740 -0.340 0.000 0.217 682 N C 0.146 175.692 175.510 0.061 0.000 1.124 682 N CA 1.188 54.248 53.050 0.016 0.000 0.843 682 N CB 1.441 39.919 38.487 -0.015 0.000 1.024 682 N HN 0.553 nan 8.380 nan 0.000 0.501 683 G N 0.875 109.661 108.800 -0.024 0.000 2.555 683 G HA2 -0.047 3.709 3.960 -0.340 0.000 0.686 683 G HA3 -0.047 3.709 3.960 -0.340 0.000 0.686 683 G C -1.592 173.147 174.900 -0.269 0.000 1.275 683 G CA -0.873 43.974 45.100 -0.421 0.000 0.871 683 G HN 0.226 nan 8.290 nan 0.000 0.603 684 Y N -2.406 117.529 120.300 -0.608 0.000 2.638 684 Y HA 0.777 5.119 4.550 -0.346 0.000 0.335 684 Y C -0.358 175.344 175.900 -0.331 0.000 1.155 684 Y CA -2.277 55.693 58.100 -0.218 0.000 1.046 684 Y CB 0.560 39.032 38.460 0.021 0.000 1.303 684 Y HN 0.616 nan 8.280 nan 0.000 0.460 685 F N 1.723 121.888 119.950 0.357 0.000 2.382 685 F HA 0.569 4.890 4.527 -0.343 0.000 0.331 685 F C -0.055 175.889 175.800 0.240 0.000 1.121 685 F CA -0.461 57.694 58.000 0.257 0.000 1.183 685 F CB 0.851 39.988 39.000 0.228 0.000 1.207 685 F HN 0.278 nan 8.300 nan 0.000 0.555 686 L N 2.837 124.280 121.223 0.366 0.000 2.372 686 L HA 0.424 4.560 4.340 -0.340 0.000 0.273 686 L C -0.747 176.264 176.870 0.235 0.000 0.989 686 L CA -0.398 54.649 54.840 0.345 0.000 0.841 686 L CB 1.441 43.763 42.059 0.437 0.000 1.225 686 L HN 0.753 nan 8.230 nan 0.000 0.414 687 E N 2.368 122.586 120.200 0.031 0.000 2.456 687 E HA 0.924 5.070 4.350 -0.340 0.000 0.276 687 E C -0.542 175.640 176.600 -0.695 0.000 0.981 687 E CA -0.922 55.198 56.400 -0.467 0.000 0.814 687 E CB 3.003 32.499 29.700 -0.340 0.000 1.382 687 E HN 0.480 nan 8.360 nan 0.000 0.459 688 G N -0.314 107.732 108.800 -1.257 0.000 2.399 688 G HA2 0.366 4.123 3.960 -0.340 0.000 0.256 688 G HA3 0.366 4.123 3.960 -0.340 0.000 0.256 688 G C -1.954 172.385 174.900 -0.934 0.000 1.236 688 G CA -0.895 43.737 45.100 -0.779 0.000 0.914 688 G HN 0.323 nan 8.290 nan 0.000 0.482 689 F N -0.546 119.354 119.950 -0.083 0.000 2.576 689 F HA 0.638 4.959 4.527 -0.344 0.000 0.313 689 F C 0.068 175.916 175.800 0.081 0.000 1.078 689 F CA -0.914 57.090 58.000 0.006 0.000 0.921 689 F CB 2.715 41.617 39.000 -0.164 0.000 1.232 689 F HN 0.264 nan 8.300 nan 0.000 0.459 690 V N 3.696 123.791 119.914 0.302 0.000 2.333 690 V HA 0.460 4.376 4.120 -0.340 0.000 0.274 690 V C -0.098 176.059 176.094 0.104 0.000 1.028 690 V CA -0.743 61.625 62.300 0.114 0.000 0.851 690 V CB 0.775 32.678 31.823 0.134 0.000 1.000 690 V HN 0.642 nan 8.190 nan 0.000 0.456 691 R N 4.116 124.580 120.500 -0.060 0.000 2.540 691 R HA 0.704 4.841 4.340 -0.340 0.000 0.287 691 R C -1.420 174.867 176.300 -0.021 0.000 0.980 691 R CA -0.469 55.677 56.100 0.076 0.000 0.966 691 R CB 1.757 32.117 30.300 0.100 0.000 1.106 691 R HN 0.476 nan 8.270 nan 0.000 0.480 692 F N 0.785 120.945 119.950 0.349 0.000 2.540 692 F HA 0.503 4.832 4.527 -0.330 0.000 0.317 692 F C 0.130 176.110 175.800 0.301 0.000 1.104 692 F CA -0.783 57.446 58.000 0.380 0.000 0.913 692 F CB 2.003 41.151 39.000 0.247 0.000 1.170 692 F HN 0.165 nan 8.300 nan 0.000 0.450 693 K N 1.231 121.883 120.400 0.421 0.000 2.512 693 K HA 0.353 4.470 4.320 -0.340 0.000 0.263 693 K C -0.220 176.519 176.600 0.232 0.000 0.966 693 K CA -0.845 55.553 56.287 0.185 0.000 0.851 693 K CB 2.617 35.034 32.500 -0.137 0.000 1.395 693 K HN 0.612 nan 8.250 nan 0.000 0.440 694 Q N 0.379 120.274 119.800 0.158 0.000 2.392 694 Q HA 0.015 4.151 4.340 -0.340 0.000 0.203 694 Q C -0.928 175.214 176.000 0.237 0.000 0.917 694 Q CA 0.609 56.528 55.803 0.193 0.000 0.939 694 Q CB 0.457 29.263 28.738 0.113 0.000 1.063 694 Q HN 0.433 nan 8.270 nan 0.000 0.516 695 D N -1.645 118.774 120.400 0.031 0.000 2.804 695 D HA 0.136 4.573 4.640 -0.340 0.000 0.209 695 D C -2.402 173.590 176.300 -0.513 0.000 1.314 695 D CA -1.589 52.270 54.000 -0.236 0.000 0.894 695 D CB 1.541 42.259 40.800 -0.137 0.000 1.615 695 D HN -0.325 nan 8.370 nan 0.000 0.571 696 P HA -0.119 nan 4.420 nan 0.000 0.219 696 P C 0.824 177.736 177.300 -0.647 0.000 1.144 696 P CA 1.233 63.617 63.100 -1.192 0.000 0.806 696 P CB 0.328 31.277 31.700 -1.252 0.000 0.771 697 T N -2.156 112.151 114.554 -0.411 0.000 3.057 697 T HA 0.034 4.180 4.350 -0.340 0.000 0.254 697 T C 0.927 175.528 174.700 -0.164 0.000 1.094 697 T CA 0.203 62.165 62.100 -0.230 0.000 1.088 697 T CB 0.070 68.835 68.868 -0.172 0.000 0.934 697 T HN 0.126 nan 8.240 nan 0.000 0.497 698 K N 1.131 121.426 120.400 -0.175 0.000 2.386 698 K HA 0.155 4.271 4.320 -0.340 0.000 0.249 698 K C 0.152 176.709 176.600 -0.071 0.000 1.055 698 K CA -0.455 55.774 56.287 -0.097 0.000 0.930 698 K CB 0.551 33.008 32.500 -0.071 0.000 1.230 698 K HN -0.043 nan 8.250 nan 0.000 0.507 699 E N 1.328 121.515 120.200 -0.022 0.000 2.342 699 E HA 0.007 4.154 4.350 -0.340 0.000 0.257 699 E C -0.591 176.037 176.600 0.046 0.000 1.150 699 E CA -0.120 56.289 56.400 0.014 0.000 0.926 699 E CB 0.652 30.368 29.700 0.027 0.000 1.074 699 E HN 0.489 nan 8.360 nan 0.000 0.449 700 E N 1.072 121.324 120.200 0.086 0.000 2.376 700 E HA 0.090 4.236 4.350 -0.340 0.000 0.266 700 E C -0.524 176.157 176.600 0.133 0.000 1.009 700 E CA -0.286 56.197 56.400 0.139 0.000 0.902 700 E CB 0.481 30.265 29.700 0.140 0.000 0.972 700 E HN 0.174 nan 8.360 nan 0.000 0.439 704 I N 3.270 124.080 120.570 0.399 0.000 2.498 704 I HA 0.642 4.608 4.170 -0.340 0.000 0.290 704 I C -2.699 173.605 176.117 0.313 0.000 1.032 704 I CA -2.569 58.928 61.300 0.327 0.000 1.073 704 I CB 2.632 40.793 38.000 0.269 0.000 1.251 704 I HN 0.547 nan 8.210 nan 0.000 0.426 705 P HA 0.236 nan 4.420 nan 0.000 0.277 705 P C -1.966 175.297 177.300 -0.060 0.000 1.240 705 P CA 0.161 63.130 63.100 -0.219 0.000 0.798 705 P CB 0.997 32.510 31.700 -0.312 0.000 0.979 706 Y N 0.606 120.772 120.300 -0.223 0.000 2.588 706 Y HA 0.817 5.160 4.550 -0.345 0.000 0.343 706 Y C -1.583 174.247 175.900 -0.117 0.000 1.065 706 Y CA -1.563 56.477 58.100 -0.100 0.000 1.038 706 Y CB 1.591 40.035 38.460 -0.026 0.000 1.297 706 Y HN 0.375 nan 8.280 nan 0.000 0.467 707 I N 1.826 122.405 120.570 0.015 0.000 2.722 707 I HA 0.819 4.785 4.170 -0.340 0.000 0.292 707 I C -1.113 175.045 176.117 0.069 0.000 1.267 707 I CA -0.628 60.636 61.300 -0.060 0.000 1.036 707 I CB 2.148 40.059 38.000 -0.149 0.000 1.281 707 I HN 1.104 nan 8.210 nan 0.000 0.423 708 G N 5.016 113.865 108.800 0.082 0.000 2.642 708 G HA2 0.628 4.385 3.960 -0.340 0.000 0.293 708 G HA3 0.628 4.385 3.960 -0.340 0.000 0.293 708 G C -2.320 172.684 174.900 0.174 0.000 1.341 708 G CA -0.500 44.596 45.100 -0.008 0.000 0.916 708 G HN 0.423 nan 8.290 nan 0.000 0.474 709 F N 1.616 121.524 119.950 -0.069 0.000 2.460 709 F HA 0.564 4.890 4.527 -0.335 0.000 0.341 709 F C 0.382 176.068 175.800 -0.191 0.000 1.130 709 F CA -1.354 56.573 58.000 -0.123 0.000 0.962 709 F CB 1.750 40.682 39.000 -0.113 0.000 1.171 709 F HN 0.310 nan 8.300 nan 0.000 0.436 710 R N 4.806 124.789 120.500 -0.861 0.000 2.612 710 R HA 0.526 4.662 4.340 -0.340 0.000 0.273 710 R C -0.024 175.644 176.300 -1.053 0.000 1.376 710 R CA 0.713 56.327 56.100 -0.811 0.000 1.171 710 R CB -0.586 29.143 30.300 -0.953 0.000 1.151 710 R HN 1.058 nan 8.270 nan 0.000 0.560 711 G N 1.648 110.096 108.800 -0.587 0.000 2.373 711 G HA2 -0.118 3.638 3.960 -0.340 0.000 0.250 711 G HA3 -0.118 3.638 3.960 -0.340 0.000 0.250 711 G C -1.775 173.191 174.900 0.110 0.000 1.304 711 G CA -0.546 44.372 45.100 -0.303 0.000 0.948 711 G HN 0.351 nan 8.290 nan 0.000 0.474 712 D N -0.291 120.281 120.400 0.286 0.000 2.432 712 D HA 0.491 4.927 4.640 -0.340 0.000 0.265 712 D C 0.710 177.153 176.300 0.238 0.000 1.160 712 D CA -0.785 53.360 54.000 0.242 0.000 0.911 712 D CB 0.612 41.474 40.800 0.103 0.000 1.052 712 D HN 0.161 nan 8.370 nan 0.000 0.508 713 F N 2.815 122.805 119.950 0.067 0.000 2.069 713 F HA -0.034 4.289 4.527 -0.340 0.000 0.298 713 F C 2.235 177.920 175.800 -0.191 0.000 1.113 713 F CA 2.314 60.077 58.000 -0.394 0.000 1.214 713 F CB -0.185 38.485 39.000 -0.550 0.000 0.978 713 F HN 0.451 nan 8.300 nan 0.000 0.474 714 G N -0.322 108.534 108.800 0.094 0.000 2.475 714 G HA2 -0.314 3.442 3.960 -0.340 0.000 0.220 714 G HA3 -0.314 3.442 3.960 -0.340 0.000 0.220 714 G C 1.244 176.110 174.900 -0.057 0.000 1.125 714 G CA 1.170 46.291 45.100 0.036 0.000 0.755 714 G HN 0.393 nan 8.290 nan 0.000 0.565 715 N N 0.209 118.876 118.700 -0.056 0.000 2.251 715 N HA 0.186 4.723 4.740 -0.340 0.000 0.217 715 N C 0.328 175.788 175.510 -0.082 0.000 1.124 715 N CA -0.120 52.899 53.050 -0.051 0.000 0.843 715 N CB 0.482 38.960 38.487 -0.015 0.000 1.024 715 N HN 0.261 nan 8.380 nan 0.000 0.501 716 L N 0.867 121.978 121.223 -0.187 0.000 2.483 716 L HA 0.009 4.145 4.340 -0.340 0.000 0.276 716 L C 1.226 178.041 176.870 -0.092 0.000 1.213 716 L CA 0.077 54.805 54.840 -0.188 0.000 0.843 716 L CB 0.388 42.200 42.059 -0.412 0.000 1.107 716 L HN 0.026 nan 8.230 nan 0.000 0.487 717 S N 1.642 117.330 115.700 -0.019 0.000 2.544 717 S HA 0.139 4.406 4.470 -0.340 0.000 0.290 717 S C 0.913 175.538 174.600 0.041 0.000 1.276 717 S CA 0.030 58.254 58.200 0.041 0.000 1.075 717 S CB 0.973 64.216 63.200 0.073 0.000 0.849 717 S HN 0.691 nan 8.310 nan 0.000 0.494 718 A N 4.574 127.466 122.820 0.120 0.000 2.081 718 A HA 0.334 4.450 4.320 -0.340 0.000 0.214 718 A C 0.431 178.048 177.584 0.056 0.000 1.158 718 A CA 0.177 52.306 52.037 0.155 0.000 0.724 718 A CB -0.052 19.150 19.000 0.337 0.000 0.826 718 A HN 0.716 nan 8.150 nan 0.000 0.463 719 L N -0.187 120.986 121.223 -0.085 0.000 2.362 719 L HA 0.444 4.580 4.340 -0.340 0.000 0.275 719 L C -0.175 176.580 176.870 -0.191 0.000 0.998 719 L CA -0.603 54.015 54.840 -0.369 0.000 0.820 719 L CB 1.714 43.409 42.059 -0.607 0.000 1.270 719 L HN 0.310 nan 8.230 nan 0.000 0.415 720 E N 3.901 123.981 120.200 -0.199 0.000 2.392 720 E HA 0.105 4.252 4.350 -0.340 0.000 0.264 720 E C -0.486 176.091 176.600 -0.037 0.000 1.024 720 E CA -0.396 55.940 56.400 -0.107 0.000 0.903 720 E CB 0.674 30.337 29.700 -0.063 0.000 0.963 720 E HN 0.612 nan 8.360 nan 0.000 0.432 721 K N 3.777 124.176 120.400 -0.002 0.000 2.380 721 K HA 0.194 4.310 4.320 -0.340 0.000 0.267 721 K C -2.432 174.185 176.600 0.028 0.000 0.990 721 K CA -1.271 55.025 56.287 0.015 0.000 0.946 721 K CB -0.015 32.492 32.500 0.011 0.000 0.937 721 K HN 0.154 nan 8.250 nan 0.000 0.491 722 P HA -0.094 nan 4.420 nan 0.000 0.265 722 P C 0.404 177.623 177.300 -0.134 0.000 1.187 722 P CA -0.149 62.995 63.100 0.073 0.000 0.766 722 P CB 0.204 32.095 31.700 0.318 0.000 0.820 723 I N 0.279 120.578 120.570 -0.452 0.000 2.423 723 I HA -0.247 3.719 4.170 -0.340 0.000 0.254 723 I C 1.775 177.656 176.117 -0.393 0.000 1.151 723 I CA 1.370 62.319 61.300 -0.585 0.000 1.421 723 I CB -1.832 35.427 38.000 -1.235 0.000 1.079 723 I HN 0.388 nan 8.210 nan 0.000 0.431 724 Y N 1.415 121.651 120.300 -0.108 0.000 2.256 724 Y HA -0.200 4.146 4.550 -0.340 0.000 0.288 724 Y C 1.889 177.783 175.900 -0.010 0.000 1.155 724 Y CA 1.049 59.133 58.100 -0.026 0.000 1.203 724 Y CB -0.749 37.747 38.460 0.060 0.000 0.980 724 Y HN 0.206 nan 8.280 nan 0.000 0.530 725 D N -0.532 119.936 120.400 0.114 0.000 2.340 725 D HA -0.023 4.413 4.640 -0.340 0.000 0.220 725 D C 0.481 176.795 176.300 0.024 0.000 1.039 725 D CA 0.381 54.421 54.000 0.066 0.000 0.866 725 D CB -0.058 40.770 40.800 0.047 0.000 0.913 725 D HN 0.011 nan 8.370 nan 0.000 0.523 726 S N 0.722 116.418 115.700 -0.007 0.000 2.465 726 S HA 0.040 4.307 4.470 -0.340 0.000 0.280 726 S C 1.333 175.936 174.600 0.005 0.000 1.232 726 S CA -0.417 57.776 58.200 -0.011 0.000 1.066 726 S CB 0.619 63.796 63.200 -0.039 0.000 0.929 726 S HN -0.021 nan 8.310 nan 0.000 0.494 727 K N 3.135 123.541 120.400 0.009 0.000 2.147 727 K HA -0.119 3.997 4.320 -0.340 0.000 0.205 727 K C 1.361 177.968 176.600 0.011 0.000 1.049 727 K CA 1.338 57.632 56.287 0.012 0.000 0.936 727 K CB -0.047 32.457 32.500 0.008 0.000 0.722 727 K HN 0.629 nan 8.250 nan 0.000 0.446 728 D N -0.793 119.611 120.400 0.008 0.000 2.137 728 D HA -0.082 4.354 4.640 -0.340 0.000 0.202 728 D C 1.263 177.569 176.300 0.010 0.000 0.970 728 D CA 1.596 55.601 54.000 0.008 0.000 0.837 728 D CB 0.386 41.190 40.800 0.006 0.000 0.981 728 D HN 0.364 nan 8.370 nan 0.000 0.475 729 G N -0.320 108.482 108.800 0.004 0.000 2.179 729 G HA2 -0.190 3.567 3.960 -0.340 0.000 0.220 729 G HA3 -0.190 3.567 3.960 -0.340 0.000 0.220 729 G C 0.304 175.221 174.900 0.029 0.000 0.990 729 G CA 0.421 45.523 45.100 0.004 0.000 0.646 729 G HN 0.400 nan 8.290 nan 0.000 0.517 730 S N -0.411 115.305 115.700 0.027 0.000 2.681 730 S HA 0.925 5.191 4.470 -0.340 0.000 0.299 730 S C 0.278 174.929 174.600 0.085 0.000 1.113 730 S CA 0.258 58.494 58.200 0.060 0.000 1.013 730 S CB 2.093 65.301 63.200 0.014 0.000 1.076 730 S HN 1.551 nan 8.310 nan 0.000 0.534 731 S N 0.042 115.833 115.700 0.152 0.000 2.776 731 S HA 0.437 4.703 4.470 -0.340 0.000 0.292 731 S C 0.269 174.979 174.600 0.183 0.000 1.187 731 S CA -0.729 57.574 58.200 0.172 0.000 0.834 731 S CB 0.187 63.524 63.200 0.228 0.000 1.199 731 S HN 0.670 nan 8.310 nan 0.000 0.514 732 Y N 0.289 120.604 120.300 0.026 0.000 2.165 732 Y HA -0.094 4.253 4.550 -0.340 0.000 0.286 732 Y C 1.338 177.149 175.900 -0.150 0.000 1.155 732 Y CA 1.770 59.804 58.100 -0.109 0.000 1.164 732 Y CB -0.153 38.146 38.460 -0.268 0.000 0.978 732 Y HN 0.731 nan 8.280 nan 0.000 0.513 733 Y N -2.102 118.316 120.300 0.196 0.000 2.467 733 Y HA 0.161 4.507 4.550 -0.339 0.000 0.250 733 Y C 0.159 176.152 175.900 0.154 0.000 1.155 733 Y CA -0.187 57.972 58.100 0.097 0.000 1.249 733 Y CB 0.311 38.852 38.460 0.136 0.000 1.146 733 Y HN 0.001 nan 8.280 nan 0.000 0.524 734 H N 0.730 119.921 119.070 0.202 0.000 2.689 734 H HA 0.261 4.614 4.556 -0.340 0.000 0.346 734 H C -1.043 174.350 175.328 0.108 0.000 1.037 734 H CA -0.619 55.540 56.048 0.185 0.000 1.234 734 H CB 1.555 31.530 29.762 0.354 0.000 1.572 734 H HN 0.062 nan 8.280 nan 0.000 0.524 735 E N 2.870 122.805 120.200 -0.441 0.000 2.156 735 E HA 0.376 4.523 4.350 -0.340 0.000 0.279 735 E C -0.238 176.049 176.600 -0.523 0.000 0.965 735 E CA -0.670 55.529 56.400 -0.335 0.000 0.789 735 E CB 2.155 31.745 29.700 -0.182 0.000 1.098 735 E HN 0.658 nan 8.360 nan 0.000 0.397 736 A N 3.329 125.996 122.820 -0.255 0.000 2.310 736 A HA 0.144 4.260 4.320 -0.340 0.000 0.260 736 A C 0.415 177.950 177.584 -0.081 0.000 1.112 736 A CA -0.401 51.559 52.037 -0.127 0.000 0.804 736 A CB 0.175 19.164 19.000 -0.018 0.000 1.081 736 A HN 0.541 nan 8.150 nan 0.000 0.499 737 N N 0.165 118.855 118.700 -0.016 0.000 2.439 737 N HA 0.283 4.820 4.740 -0.340 0.000 0.249 737 N C -0.249 175.263 175.510 0.002 0.000 1.003 737 N CA 0.179 53.224 53.050 -0.009 0.000 0.942 737 N CB 0.497 38.985 38.487 0.003 0.000 1.115 737 N HN 0.623 nan 8.380 nan 0.000 0.505 738 S N 3.056 118.752 115.700 -0.006 0.000 2.549 738 S HA 0.206 4.473 4.470 -0.340 0.000 0.283 738 S C -0.124 174.481 174.600 0.008 0.000 1.320 738 S CA -0.225 57.976 58.200 0.002 0.000 1.058 738 S CB 0.783 63.981 63.200 -0.003 0.000 0.882 738 S HN 0.675 nan 8.310 nan 0.000 0.498 739 D N 0.501 120.910 120.400 0.014 0.000 2.578 739 D HA -0.125 4.312 4.640 -0.340 0.000 0.179 739 D C 0.117 176.437 176.300 0.033 0.000 0.893 739 D CA 1.260 55.270 54.000 0.017 0.000 0.986 739 D CB -1.511 39.296 40.800 0.012 0.000 1.035 739 D HN 1.092 nan 8.370 nan 0.000 0.473 740 A N 0.404 123.254 122.820 0.050 0.000 3.330 740 A HA 0.407 4.523 4.320 -0.340 0.000 0.256 740 A C 0.742 178.391 177.584 0.108 0.000 1.185 740 A CA -0.356 51.741 52.037 0.101 0.000 0.940 740 A CB 0.617 19.711 19.000 0.156 0.000 1.397 740 A HN -0.095 nan 8.150 nan 0.000 0.678 741 K N 0.390 120.838 120.400 0.079 0.000 2.286 741 K HA -0.096 4.020 4.320 -0.340 0.000 0.203 741 K C 0.771 177.432 176.600 0.102 0.000 1.045 741 K CA 1.687 58.017 56.287 0.070 0.000 0.935 741 K CB 0.133 32.662 32.500 0.048 0.000 0.737 741 K HN 0.603 nan 8.250 nan 0.000 0.460 742 D N -0.215 120.281 120.400 0.160 0.000 2.339 742 D HA -0.048 4.389 4.640 -0.340 0.000 0.217 742 D C 0.114 176.586 176.300 0.287 0.000 1.050 742 D CA 0.161 54.293 54.000 0.220 0.000 0.856 742 D CB 0.184 41.125 40.800 0.235 0.000 0.922 742 D HN 0.265 nan 8.370 nan 0.000 0.518 743 Q N 0.923 120.862 119.800 0.231 0.000 2.311 743 Q HA 0.217 4.354 4.340 -0.340 0.000 0.272 743 Q C -0.838 175.192 176.000 0.050 0.000 1.012 743 Q CA 0.123 55.918 55.803 -0.012 0.000 0.891 743 Q CB 0.572 29.262 28.738 -0.080 0.000 1.201 743 Q HN -0.003 nan 8.270 nan 0.000 0.391 744 L N 5.222 126.480 121.223 0.058 0.000 2.420 744 L HA 0.277 4.413 4.340 -0.340 0.000 0.260 744 L C -1.502 175.527 176.870 0.265 0.000 1.508 744 L CA -0.291 54.641 54.840 0.153 0.000 0.835 744 L CB 1.070 43.193 42.059 0.106 0.000 1.018 744 L HN 0.605 nan 8.230 nan 0.000 0.520 745 D N 1.002 121.542 120.400 0.234 0.000 2.378 745 D HA 0.373 4.810 4.640 -0.340 0.000 0.238 745 D C 0.590 177.021 176.300 0.219 0.000 1.180 745 D CA 0.636 54.754 54.000 0.196 0.000 0.895 745 D CB 1.267 42.165 40.800 0.163 0.000 1.192 745 D HN 0.519 nan 8.370 nan 0.000 0.438 746 G N -0.032 108.727 108.800 -0.069 0.000 2.695 746 G HA2 0.066 3.822 3.960 -0.340 0.000 0.213 746 G HA3 0.066 3.822 3.960 -0.340 0.000 0.213 746 G C 0.435 175.223 174.900 -0.187 0.000 1.406 746 G CA -0.248 44.662 45.100 -0.318 0.000 1.049 746 G HN 0.263 nan 8.290 nan 0.000 0.573 747 D N -0.020 120.231 120.400 -0.249 0.000 2.218 747 D HA 0.155 4.591 4.640 -0.340 0.000 0.204 747 D C 1.803 178.102 176.300 -0.000 0.000 0.976 747 D CA 1.571 55.532 54.000 -0.064 0.000 0.853 747 D CB -0.367 40.391 40.800 -0.070 0.000 0.939 747 D HN 0.842 nan 8.370 nan 0.000 0.481 748 G N 0.243 108.996 108.800 -0.077 0.000 2.569 748 G HA2 -0.320 3.436 3.960 -0.340 0.000 0.259 748 G HA3 -0.320 3.436 3.960 -0.340 0.000 0.259 748 G C 0.811 175.702 174.900 -0.016 0.000 1.263 748 G CA 0.068 45.145 45.100 -0.039 0.000 0.928 748 G HN 0.288 nan 8.290 nan 0.000 0.572 749 L N -0.117 121.107 121.223 0.002 0.000 2.240 749 L HA 0.217 4.354 4.340 -0.340 0.000 0.211 749 L C 1.335 178.203 176.870 -0.003 0.000 1.106 749 L CA 1.637 56.474 54.840 -0.005 0.000 0.793 749 L CB -0.112 41.942 42.059 -0.008 0.000 0.927 749 L HN 0.569 nan 8.230 nan 0.000 0.446 750 Q N 0.429 120.236 119.800 0.012 0.000 2.309 750 Q HA 0.241 4.377 4.340 -0.340 0.000 0.254 750 Q C -0.763 175.195 176.000 -0.070 0.000 0.938 750 Q CA -0.622 55.136 55.803 -0.075 0.000 0.789 750 Q CB 1.170 29.805 28.738 -0.172 0.000 1.313 750 Q HN 0.131 nan 8.270 nan 0.000 0.438 751 F N 2.167 122.055 119.950 -0.103 0.000 2.506 751 F HA 0.577 4.900 4.527 -0.340 0.000 0.351 751 F C -1.185 174.534 175.800 -0.136 0.000 1.136 751 F CA -0.254 57.713 58.000 -0.054 0.000 1.298 751 F CB 0.530 39.475 39.000 -0.092 0.000 1.145 751 F HN 0.452 nan 8.300 nan 0.000 0.593 752 Y N 2.907 123.169 120.300 -0.063 0.000 2.363 752 Y HA 0.526 4.872 4.550 -0.340 0.000 0.325 752 Y C 0.965 176.905 175.900 0.066 0.000 0.984 752 Y CA -0.572 57.446 58.100 -0.136 0.000 1.248 752 Y CB 1.449 39.859 38.460 -0.083 0.000 1.116 752 Y HN 0.932 nan 8.280 nan 0.000 0.470 753 A N 2.930 125.876 122.820 0.209 0.000 1.997 753 A HA -0.185 3.932 4.320 -0.340 0.000 0.221 753 A C 1.724 179.351 177.584 0.072 0.000 1.172 753 A CA 1.854 54.015 52.037 0.207 0.000 0.645 753 A CB -0.436 18.663 19.000 0.165 0.000 0.813 753 A HN 0.852 nan 8.150 nan 0.000 0.454 754 L N -1.545 119.718 121.223 0.067 0.000 2.558 754 L HA 0.073 4.209 4.340 -0.340 0.000 0.225 754 L C 0.576 177.457 176.870 0.019 0.000 1.128 754 L CA 0.205 55.051 54.840 0.010 0.000 0.868 754 L CB -0.142 41.925 42.059 0.013 0.000 1.006 754 L HN 0.233 nan 8.230 nan 0.000 0.454 755 K N 0.226 120.663 120.400 0.061 0.000 2.095 755 K HA 0.293 4.409 4.320 -0.340 0.000 0.252 755 K C 0.043 176.630 176.600 -0.021 0.000 0.977 755 K CA -0.620 55.701 56.287 0.058 0.000 0.900 755 K CB 0.933 33.468 32.500 0.059 0.000 1.060 755 K HN -0.021 nan 8.250 nan 0.000 0.449 756 N N 0.663 119.333 118.700 -0.051 0.000 2.725 756 N HA -0.228 4.308 4.740 -0.340 0.000 0.249 756 N C -1.294 173.565 175.510 -1.086 0.000 1.103 756 N CA 0.188 52.899 53.050 -0.565 0.000 0.707 756 N CB -1.262 37.110 38.487 -0.192 0.000 1.043 756 N HN 0.533 nan 8.380 nan 0.000 0.553 757 N N 0.887 119.269 118.700 -0.530 0.000 2.482 757 N HA 0.427 4.964 4.740 -0.340 0.000 0.242 757 N C -0.757 174.620 175.510 -0.222 0.000 1.100 757 N CA -0.238 52.575 53.050 -0.396 0.000 0.946 757 N CB 0.302 38.685 38.487 -0.174 0.000 1.227 757 N HN 0.289 nan 8.380 nan 0.000 0.508 758 F N -2.211 117.699 119.950 -0.066 0.000 2.831 758 F HA 0.498 4.821 4.527 -0.340 0.000 0.318 758 F C -0.450 175.262 175.800 -0.146 0.000 1.174 758 F CA -1.391 56.558 58.000 -0.085 0.000 0.918 758 F CB 0.876 39.763 39.000 -0.189 0.000 1.364 758 F HN -0.137 nan 8.300 nan 0.000 0.475 759 T N 1.631 116.318 114.554 0.222 0.000 2.794 759 T HA 0.700 4.847 4.350 -0.340 0.000 0.296 759 T C -0.126 174.660 174.700 0.143 0.000 0.949 759 T CA 0.442 62.611 62.100 0.116 0.000 1.101 759 T CB 0.865 69.800 68.868 0.113 0.000 0.905 759 T HN 1.021 nan 8.240 nan 0.000 0.516 760 A N 3.221 126.139 122.820 0.163 0.000 2.552 760 A HA 0.748 4.864 4.320 -0.340 0.000 0.308 760 A C -2.071 175.644 177.584 0.219 0.000 1.114 760 A CA -0.842 51.309 52.037 0.189 0.000 0.610 760 A CB 0.736 19.696 19.000 -0.067 0.000 1.402 760 A HN 0.653 nan 8.150 nan 0.000 0.563 761 L N 0.956 122.357 121.223 0.297 0.000 2.362 761 L HA 0.693 4.829 4.340 -0.340 0.000 0.271 761 L C 0.207 177.233 176.870 0.260 0.000 1.002 761 L CA -0.619 54.308 54.840 0.145 0.000 0.818 761 L CB 2.368 44.383 42.059 -0.074 0.000 1.298 761 L HN 0.992 nan 8.230 nan 0.000 0.420 762 T N -1.832 112.813 114.554 0.151 0.000 2.952 762 T HA 0.753 4.899 4.350 -0.340 0.000 0.286 762 T C -0.286 174.345 174.700 -0.115 0.000 1.024 762 T CA -0.621 61.498 62.100 0.032 0.000 1.029 762 T CB 2.525 71.384 68.868 -0.016 0.000 1.094 762 T HN 0.641 nan 8.240 nan 0.000 0.515 763 T N -0.533 113.846 114.554 -0.292 0.000 2.665 763 T HA 0.491 4.638 4.350 -0.340 0.000 0.303 763 T C -1.934 172.472 174.700 -0.490 0.000 1.334 763 T CA -0.705 61.027 62.100 -0.614 0.000 1.011 763 T CB 1.741 70.311 68.868 -0.497 0.000 1.573 763 T HN 0.799 nan 8.240 nan 0.000 0.492 764 E N 0.545 120.439 120.200 -0.510 0.000 2.317 764 E HA 0.550 4.697 4.350 -0.340 0.000 0.270 764 E C -1.533 174.947 176.600 -0.200 0.000 0.885 764 E CA -0.777 55.456 56.400 -0.278 0.000 0.760 764 E CB 2.159 31.772 29.700 -0.145 0.000 1.227 764 E HN 0.417 nan 8.360 nan 0.000 0.434 765 S N 2.053 117.668 115.700 -0.141 0.000 2.433 765 S HA 0.389 4.655 4.470 -0.340 0.000 0.310 765 S C -0.962 173.621 174.600 -0.029 0.000 1.097 765 S CA -0.651 57.518 58.200 -0.051 0.000 1.103 765 S CB 0.388 63.588 63.200 -0.001 0.000 0.992 765 S HN 0.441 nan 8.310 nan 0.000 0.469 766 N N 5.089 123.788 118.700 -0.001 0.000 2.483 766 N HA 0.525 5.061 4.740 -0.340 0.000 0.267 766 N C -2.739 172.781 175.510 0.015 0.000 0.998 766 N CA -1.694 51.352 53.050 -0.008 0.000 0.918 766 N CB 1.946 40.427 38.487 -0.010 0.000 1.215 766 N HN 0.381 nan 8.380 nan 0.000 0.500 767 P HA 0.009 nan 4.420 nan 0.000 0.269 767 P C 1.330 178.588 177.300 -0.069 0.000 1.215 767 P CA -0.295 62.795 63.100 -0.016 0.000 0.780 767 P CB 0.551 32.195 31.700 -0.093 0.000 0.898 768 W N 2.875 124.141 121.300 -0.056 0.000 2.350 768 W HA -0.191 4.266 4.660 -0.340 0.000 0.289 768 W C 1.133 177.457 176.519 -0.325 0.000 1.215 768 W CA 2.027 59.256 57.345 -0.192 0.000 1.236 768 W CB -2.733 26.616 29.460 -0.186 0.000 1.130 768 W HN 0.359 nan 8.180 nan 0.000 0.541 769 T N 0.029 113.801 114.554 -1.303 0.000 2.720 769 T HA -0.230 3.917 4.350 -0.340 0.000 0.268 769 T C 2.010 176.375 174.700 -0.558 0.000 1.037 769 T CA 1.998 63.375 62.100 -1.204 0.000 1.144 769 T CB -0.867 67.347 68.868 -1.090 0.000 0.864 769 T HN 0.271 nan 8.240 nan 0.000 0.444 770 I N 0.514 120.856 120.570 -0.379 0.000 2.406 770 I HA 0.026 3.992 4.170 -0.340 0.000 0.249 770 I C 2.517 178.546 176.117 -0.147 0.000 1.122 770 I CA 0.884 62.053 61.300 -0.217 0.000 1.431 770 I CB -0.299 37.609 38.000 -0.154 0.000 1.087 770 I HN 0.210 nan 8.210 nan 0.000 0.424 771 I N 0.986 121.481 120.570 -0.124 0.000 2.163 771 I HA -0.352 3.614 4.170 -0.340 0.000 0.243 771 I C 2.646 178.754 176.117 -0.014 0.000 1.085 771 I CA 1.560 62.846 61.300 -0.022 0.000 1.347 771 I CB -0.383 37.660 38.000 0.072 0.000 1.044 771 I HN 0.206 nan 8.210 nan 0.000 0.408 772 K N 1.351 121.661 120.400 -0.149 0.000 2.002 772 K HA -0.190 3.927 4.320 -0.340 0.000 0.209 772 K C 2.226 178.807 176.600 -0.032 0.000 1.048 772 K CA 1.581 57.821 56.287 -0.077 0.000 0.930 772 K CB -0.183 32.162 32.500 -0.259 0.000 0.714 772 K HN 0.270 nan 8.250 nan 0.000 0.438 773 A N 0.585 123.341 122.820 -0.105 0.000 1.978 773 A HA -0.117 3.999 4.320 -0.340 0.000 0.220 773 A C 2.174 179.734 177.584 -0.039 0.000 1.170 773 A CA 1.752 53.742 52.037 -0.078 0.000 0.636 773 A CB -0.501 18.428 19.000 -0.118 0.000 0.810 773 A HN 0.210 nan 8.150 nan 0.000 0.448 774 V N -0.636 119.260 119.914 -0.030 0.000 2.346 774 V HA -0.142 3.774 4.120 -0.340 0.000 0.244 774 V C 2.358 178.462 176.094 0.017 0.000 1.037 774 V CA 2.131 64.425 62.300 -0.010 0.000 1.029 774 V CB -0.560 31.258 31.823 -0.009 0.000 0.663 774 V HN 0.422 nan 8.190 nan 0.000 0.454 775 K N 0.173 120.600 120.400 0.044 0.000 2.280 775 K HA -0.146 3.971 4.320 -0.340 0.000 0.202 775 K C 2.010 178.646 176.600 0.060 0.000 1.047 775 K CA 1.221 57.550 56.287 0.070 0.000 0.942 775 K CB -0.112 32.467 32.500 0.132 0.000 0.739 775 K HN 0.610 nan 8.250 nan 0.000 0.457 776 E N -2.025 118.204 120.200 0.048 0.000 2.075 776 E HA 0.090 4.237 4.350 -0.340 0.000 0.190 776 E C 0.801 177.413 176.600 0.021 0.000 0.969 776 E CA 0.832 57.256 56.400 0.039 0.000 0.815 776 E CB 0.389 30.111 29.700 0.036 0.000 0.776 776 E HN 0.336 nan 8.360 nan 0.000 0.457 777 G N 1.528 110.333 108.800 0.009 0.000 2.161 777 G HA2 -0.177 3.579 3.960 -0.340 0.000 0.140 777 G HA3 -0.177 3.579 3.960 -0.340 0.000 0.140 777 G C -0.043 174.852 174.900 -0.008 0.000 1.040 777 G CA -0.002 45.099 45.100 0.001 0.000 0.735 777 G HN 0.285 nan 8.290 nan 0.000 0.496 778 V N -0.228 119.676 119.914 -0.016 0.000 2.427 778 V HA 0.749 4.665 4.120 -0.340 0.000 0.268 778 V C 0.418 176.495 176.094 -0.028 0.000 1.046 778 V CA -0.439 61.847 62.300 -0.024 0.000 0.970 778 V CB 1.467 33.269 31.823 -0.036 0.000 1.001 778 V HN 0.370 nan 8.190 nan 0.000 0.476 779 E N 5.748 125.933 120.200 -0.024 0.000 2.373 779 E HA 0.252 4.398 4.350 -0.340 0.000 0.263 779 E C 0.238 176.819 176.600 -0.031 0.000 1.073 779 E CA 0.830 57.215 56.400 -0.025 0.000 0.894 779 E CB 0.320 30.008 29.700 -0.021 0.000 1.008 779 E HN 1.139 nan 8.360 nan 0.000 0.420 780 N N 3.054 121.734 118.700 -0.033 0.000 3.351 780 N HA -0.226 4.310 4.740 -0.340 0.000 0.282 780 N C -0.367 175.115 175.510 -0.047 0.000 1.898 780 N CA 0.131 53.158 53.050 -0.038 0.000 2.037 780 N CB -0.228 38.237 38.487 -0.036 0.000 0.724 780 N HN 0.516 nan 8.380 nan 0.000 0.535 781 I N 3.323 123.862 120.570 -0.053 0.000 3.035 781 I HA -0.039 3.927 4.170 -0.340 0.000 0.271 781 I C 1.234 177.307 176.117 -0.073 0.000 1.190 781 I CA 1.010 62.270 61.300 -0.066 0.000 1.472 781 I CB -0.029 37.931 38.000 -0.068 0.000 1.116 781 I HN 0.634 nan 8.210 nan 0.000 0.443 782 E N 0.053 120.215 120.200 -0.063 0.000 2.515 782 E HA 0.015 4.161 4.350 -0.340 0.000 0.315 782 E C 0.099 176.662 176.600 -0.063 0.000 1.523 782 E CA 0.288 56.649 56.400 -0.064 0.000 1.704 782 E CB -0.443 29.224 29.700 -0.055 0.000 1.395 782 E HN 0.524 nan 8.360 nan 0.000 0.490 783 D N 0.113 120.472 120.400 -0.069 0.000 2.204 783 D HA -0.025 4.411 4.640 -0.340 0.000 0.337 783 D C 0.554 176.808 176.300 -0.076 0.000 1.054 783 D CA -0.339 53.623 54.000 -0.064 0.000 0.869 783 D CB -0.105 40.662 40.800 -0.054 0.000 1.548 783 D HN 0.117 nan 8.370 nan 0.000 0.530 784 I N 2.580 123.096 120.570 -0.091 0.000 2.880 784 I HA -0.062 3.904 4.170 -0.340 0.000 0.296 784 I C 1.261 177.306 176.117 -0.119 0.000 1.220 784 I CA 0.477 61.711 61.300 -0.111 0.000 1.435 784 I CB 0.097 38.011 38.000 -0.143 0.000 1.339 784 I HN 0.169 nan 8.210 nan 0.000 0.583 785 E N 5.293 125.422 120.200 -0.119 0.000 2.676 785 E HA 0.066 4.213 4.350 -0.340 0.000 0.318 785 E C -0.757 175.750 176.600 -0.156 0.000 1.514 785 E CA -0.069 56.259 56.400 -0.120 0.000 1.667 785 E CB -0.025 29.618 29.700 -0.095 0.000 1.336 785 E HN 0.637 nan 8.360 nan 0.000 0.492 786 S N -0.768 114.829 115.700 -0.172 0.000 2.556 786 S HA 0.236 4.502 4.470 -0.340 0.000 0.271 786 S C 0.496 174.994 174.600 -0.169 0.000 1.135 786 S CA -0.429 57.649 58.200 -0.204 0.000 0.858 786 S CB 1.542 64.572 63.200 -0.283 0.000 1.114 786 S HN 0.158 nan 8.310 nan 0.000 0.468 787 S N 0.235 115.841 115.700 -0.157 0.000 2.486 787 S HA 0.177 4.443 4.470 -0.340 0.000 0.220 787 S C 0.256 174.803 174.600 -0.089 0.000 1.011 787 S CA -0.181 57.948 58.200 -0.118 0.000 0.921 787 S CB -0.535 62.597 63.200 -0.112 0.000 0.785 787 S HN 0.798 nan 8.310 nan 0.000 0.517 788 E N 1.606 121.753 120.200 -0.089 0.000 2.373 788 E HA 0.565 4.711 4.350 -0.340 0.000 0.263 788 E C -0.054 176.495 176.600 -0.086 0.000 1.073 788 E CA -0.297 56.065 56.400 -0.062 0.000 0.894 788 E CB 0.956 30.637 29.700 -0.033 0.000 1.008 788 E HN 0.622 nan 8.360 nan 0.000 0.420 789 I N -2.782 117.750 120.570 -0.063 0.000 3.174 789 I HA 0.434 4.400 4.170 -0.340 0.000 0.313 789 I C -0.468 175.613 176.117 -0.060 0.000 1.155 789 I CA -1.082 60.176 61.300 -0.069 0.000 0.977 789 I CB 2.155 40.118 38.000 -0.061 0.000 1.248 789 I HN 0.174 nan 8.210 nan 0.000 0.453 790 T N 2.223 116.739 114.554 -0.063 0.000 2.853 790 T HA 0.231 4.378 4.350 -0.340 0.000 0.298 790 T C -0.352 174.306 174.700 -0.070 0.000 0.978 790 T CA 0.124 62.188 62.100 -0.060 0.000 1.152 790 T CB 0.053 68.889 68.868 -0.054 0.000 0.914 790 T HN 0.534 nan 8.240 nan 0.000 0.539 791 E N 1.340 121.487 120.200 -0.090 0.000 2.288 791 E HA 0.358 4.504 4.350 -0.340 0.000 0.268 791 E C -0.640 175.847 176.600 -0.187 0.000 0.885 791 E CA -0.787 55.534 56.400 -0.131 0.000 0.767 791 E CB 1.694 31.304 29.700 -0.150 0.000 1.220 791 E HN 0.408 nan 8.360 nan 0.000 0.427 792 T N 3.153 117.579 114.554 -0.213 0.000 2.806 792 T HA 0.483 4.629 4.350 -0.340 0.000 0.290 792 T C 0.133 174.579 174.700 -0.423 0.000 0.966 792 T CA -0.296 61.640 62.100 -0.273 0.000 1.060 792 T CB 0.042 68.766 68.868 -0.240 0.000 0.927 792 T HN 0.383 nan 8.240 nan 0.000 0.485 793 I N -1.297 118.981 120.570 -0.488 0.000 3.343 793 I HA 0.730 4.696 4.170 -0.340 0.000 0.315 793 I C -1.306 174.458 176.117 -0.588 0.000 1.153 793 I CA -1.700 59.230 61.300 -0.616 0.000 0.952 793 I CB 1.771 39.406 38.000 -0.608 0.000 1.287 793 I HN 0.367 nan 8.210 nan 0.000 0.472 794 F N 1.798 121.679 119.950 -0.115 0.000 2.404 794 F HA 0.671 4.995 4.527 -0.339 0.000 0.339 794 F C 1.004 176.792 175.800 -0.019 0.000 1.105 794 F CA -0.609 57.394 58.000 0.005 0.000 1.087 794 F CB 1.732 40.807 39.000 0.126 0.000 1.143 794 F HN 0.617 nan 8.300 nan 0.000 0.491 795 A N 2.143 125.066 122.820 0.171 0.000 2.531 795 A HA 0.414 4.530 4.320 -0.340 0.000 0.236 795 A C 1.225 178.851 177.584 0.070 0.000 1.062 795 A CA 0.590 52.638 52.037 0.018 0.000 0.760 795 A CB -0.600 18.401 19.000 0.001 0.000 0.995 795 A HN 1.545 nan 8.150 nan 0.000 0.501 796 G N 0.738 109.502 108.800 -0.060 0.000 2.176 796 G HA2 -0.110 3.647 3.960 -0.340 0.000 0.253 796 G HA3 -0.110 3.647 3.960 -0.340 0.000 0.253 796 G C 0.440 175.420 174.900 0.134 0.000 0.979 796 G CA 1.124 46.266 45.100 0.069 0.000 0.641 796 G HN 2.303 nan 8.290 nan 0.000 0.530 797 T N -1.579 112.887 114.554 -0.146 0.000 2.885 797 T HA 0.820 4.966 4.350 -0.340 0.000 0.285 797 T C -0.671 173.747 174.700 -0.470 0.000 1.019 797 T CA -0.893 61.229 62.100 0.037 0.000 1.010 797 T CB 2.384 71.419 68.868 0.277 0.000 1.022 797 T HN 0.607 nan 8.240 nan 0.000 0.466 798 F N 0.210 120.173 119.950 0.021 0.000 2.601 798 F HA 0.731 5.054 4.527 -0.340 0.000 0.309 798 F C 0.401 176.030 175.800 -0.285 0.000 1.089 798 F CA -1.228 56.586 58.000 -0.310 0.000 0.940 798 F CB 1.728 40.230 39.000 -0.831 0.000 1.273 798 F HN 0.986 nan 8.300 nan 0.000 0.450 799 A N 1.759 124.391 122.820 -0.313 0.000 2.296 799 A HA 0.584 4.700 4.320 -0.340 0.000 0.264 799 A C -0.147 177.517 177.584 0.134 0.000 1.097 799 A CA -0.613 51.248 52.037 -0.293 0.000 0.811 799 A CB 0.418 19.144 19.000 -0.455 0.000 1.072 799 A HN 0.768 nan 8.150 nan 0.000 0.495 800 K N -0.287 120.193 120.400 0.133 0.000 2.154 800 K HA 0.142 4.258 4.320 -0.340 0.000 0.264 800 K C 1.014 177.625 176.600 0.019 0.000 1.008 800 K CA -0.273 56.084 56.287 0.117 0.000 0.937 800 K CB 0.808 33.369 32.500 0.101 0.000 1.002 800 K HN 0.764 nan 8.250 nan 0.000 0.469 801 Q N 1.460 121.266 119.800 0.011 0.000 2.062 801 Q HA -0.204 3.932 4.340 -0.340 0.000 0.209 801 Q C -0.508 175.475 176.000 -0.027 0.000 0.996 801 Q CA 1.945 57.725 55.803 -0.039 0.000 0.859 801 Q CB -0.068 28.667 28.738 -0.005 0.000 0.920 801 Q HN 0.532 nan 8.270 nan 0.000 0.415 802 D N 1.657 122.065 120.400 0.013 0.000 2.524 802 D HA 0.128 4.565 4.640 -0.340 0.000 0.222 802 D C -1.205 175.123 176.300 0.048 0.000 1.142 802 D CA -0.170 53.853 54.000 0.039 0.000 0.973 802 D CB 0.152 40.981 40.800 0.049 0.000 1.025 802 D HN 0.264 nan 8.370 nan 0.000 0.519 803 D N 1.592 122.004 120.400 0.021 0.000 2.730 803 D HA -0.134 4.303 4.640 -0.340 0.000 0.225 803 D C 0.374 176.730 176.300 0.093 0.000 1.107 803 D CA 0.552 54.574 54.000 0.037 0.000 0.837 803 D CB 0.688 41.484 40.800 -0.007 0.000 1.171 803 D HN 0.342 nan 8.370 nan 0.000 0.498 804 D N 1.168 121.657 120.400 0.149 0.000 2.535 804 D HA 0.024 4.460 4.640 -0.340 0.000 0.229 804 D C 0.364 176.782 176.300 0.196 0.000 1.238 804 D CA 0.441 54.561 54.000 0.200 0.000 0.824 804 D CB -0.637 40.329 40.800 0.276 0.000 1.045 804 D HN 0.408 nan 8.370 nan 0.000 0.500 805 S N -1.378 114.374 115.700 0.087 0.000 3.084 805 S HA -0.257 4.009 4.470 -0.340 0.000 0.277 805 S C -0.428 174.044 174.600 -0.214 0.000 1.295 805 S CA 1.018 59.183 58.200 -0.058 0.000 1.170 805 S CB -2.811 60.302 63.200 -0.145 0.000 1.412 805 S HN 0.680 nan 8.310 nan 0.000 0.669 806 H N -0.968 118.185 119.070 0.139 0.000 2.797 806 H HA 0.767 5.119 4.556 -0.340 0.000 0.372 806 H C -0.683 174.667 175.328 0.036 0.000 1.168 806 H CA -0.545 55.536 56.048 0.055 0.000 1.163 806 H CB 0.783 30.463 29.762 -0.138 0.000 1.778 806 H HN 0.326 nan 8.280 nan 0.000 0.551 807 Y N 0.626 120.873 120.300 -0.089 0.000 2.446 807 Y HA 0.412 4.758 4.550 -0.340 0.000 0.338 807 Y C -0.897 174.865 175.900 -0.230 0.000 1.055 807 Y CA -0.595 57.495 58.100 -0.018 0.000 1.101 807 Y CB 1.303 39.785 38.460 0.036 0.000 1.221 807 Y HN 0.519 nan 8.280 nan 0.000 0.460 808 Y N 2.062 122.572 120.300 0.350 0.000 2.512 808 Y HA 0.454 4.801 4.550 -0.340 0.000 0.348 808 Y C -0.385 175.776 175.900 0.436 0.000 0.990 808 Y CA -1.218 57.085 58.100 0.338 0.000 1.033 808 Y CB 1.323 39.952 38.460 0.281 0.000 1.259 808 Y HN 0.330 nan 8.280 nan 0.000 0.461 809 I N 3.738 124.605 120.570 0.493 0.000 2.556 809 I HA 0.048 4.014 4.170 -0.340 0.000 0.284 809 I C 0.001 176.407 176.117 0.480 0.000 1.114 809 I CA 0.432 62.002 61.300 0.450 0.000 1.418 809 I CB 0.162 38.365 38.000 0.339 0.000 1.394 809 I HN 0.538 nan 8.210 nan 0.000 0.552 810 H N 6.672 125.921 119.070 0.297 0.000 2.495 810 H HA 0.572 4.924 4.556 -0.340 0.000 0.348 810 H C -0.661 174.738 175.328 0.117 0.000 1.113 810 H CA -0.956 55.189 56.048 0.161 0.000 1.195 810 H CB 1.678 31.439 29.762 -0.002 0.000 1.521 810 H HN 0.501 nan 8.280 nan 0.000 0.509 811 R N 1.440 122.006 120.500 0.111 0.000 2.807 811 R HA 0.296 4.432 4.340 -0.340 0.000 0.276 811 R C -0.299 175.975 176.300 -0.043 0.000 0.979 811 R CA -0.985 55.120 56.100 0.008 0.000 0.928 811 R CB 1.867 32.193 30.300 0.043 0.000 1.191 811 R HN 0.594 nan 8.270 nan 0.000 0.471 812 H N 0.377 119.458 119.070 0.020 0.000 2.639 812 H HA 0.076 4.429 4.556 -0.340 0.000 0.373 812 H C 1.118 176.439 175.328 -0.012 0.000 1.372 812 H CA 0.410 56.430 56.048 -0.047 0.000 1.448 812 H CB 0.873 30.556 29.762 -0.131 0.000 1.544 812 H HN 0.834 nan 8.280 nan 0.000 0.615 813 A N 1.637 124.531 122.820 0.123 0.000 1.978 813 A HA -0.256 3.861 4.320 -0.340 0.000 0.220 813 A C 1.843 179.458 177.584 0.052 0.000 1.170 813 A CA 1.768 53.842 52.037 0.062 0.000 0.636 813 A CB -0.702 18.321 19.000 0.039 0.000 0.810 813 A HN 0.830 nan 8.150 nan 0.000 0.448 814 N N -1.161 117.574 118.700 0.060 0.000 2.550 814 N HA 0.214 4.750 4.740 -0.340 0.000 0.186 814 N C 1.080 176.621 175.510 0.051 0.000 1.110 814 N CA 1.444 54.517 53.050 0.038 0.000 0.912 814 N CB -0.457 38.038 38.487 0.013 0.000 0.968 814 N HN 0.825 nan 8.380 nan 0.000 0.448 815 G N -0.898 107.945 108.800 0.071 0.000 2.195 815 G HA2 -0.306 3.450 3.960 -0.340 0.000 0.246 815 G HA3 -0.306 3.450 3.960 -0.340 0.000 0.246 815 G C -0.168 174.778 174.900 0.076 0.000 0.984 815 G CA 0.168 45.306 45.100 0.063 0.000 0.633 815 G HN 0.485 nan 8.290 nan 0.000 0.525 816 K N 1.990 122.454 120.400 0.107 0.000 2.237 816 K HA 0.421 4.537 4.320 -0.340 0.000 0.270 816 K C -2.074 174.568 176.600 0.070 0.000 1.015 816 K CA -1.494 54.861 56.287 0.114 0.000 0.949 816 K CB 1.105 33.699 32.500 0.158 0.000 0.976 816 K HN 0.112 nan 8.250 nan 0.000 0.472 817 P HA -0.135 nan 4.420 nan 0.000 0.268 817 P C -0.956 176.300 177.300 -0.073 0.000 1.205 817 P CA 0.326 63.360 63.100 -0.111 0.000 0.771 817 P CB 0.294 31.678 31.700 -0.527 0.000 0.858 818 Y N 2.103 122.297 120.300 -0.177 0.000 2.623 818 Y HA 0.275 4.621 4.550 -0.340 0.000 0.341 818 Y C 0.454 176.405 175.900 0.085 0.000 1.292 818 Y CA -0.793 57.181 58.100 -0.211 0.000 1.840 818 Y CB -0.391 37.954 38.460 -0.192 0.000 1.865 818 Y HN 0.387 nan 8.280 nan 0.000 0.440 819 A N 3.679 126.669 122.820 0.283 0.000 2.309 819 A HA 0.761 4.877 4.320 -0.340 0.000 0.290 819 A C -0.527 177.231 177.584 0.291 0.000 1.206 819 A CA 0.109 52.276 52.037 0.217 0.000 0.850 819 A CB 0.017 19.092 19.000 0.126 0.000 1.118 819 A HN 0.712 nan 8.150 nan 0.000 0.523 820 A N 2.869 125.837 122.820 0.246 0.000 2.520 820 A HA 0.729 4.845 4.320 -0.340 0.000 0.298 820 A C -0.576 177.055 177.584 0.079 0.000 1.051 820 A CA -0.444 51.728 52.037 0.226 0.000 0.690 820 A CB 0.909 20.125 19.000 0.360 0.000 1.281 820 A HN 1.576 nan 8.150 nan 0.000 0.402 821 I N -0.866 119.724 120.570 0.034 0.000 2.785 821 I HA 0.812 4.778 4.170 -0.340 0.000 0.302 821 I C -0.187 175.897 176.117 -0.054 0.000 1.069 821 I CA -0.748 60.512 61.300 -0.067 0.000 1.045 821 I CB 2.727 40.620 38.000 -0.178 0.000 1.236 821 I HN 0.478 nan 8.210 nan 0.000 0.429 822 S N 2.893 118.552 115.700 -0.067 0.000 2.328 822 S HA 0.427 4.693 4.470 -0.340 0.000 0.204 822 S C -2.413 172.137 174.600 -0.083 0.000 1.475 822 S CA -1.319 56.854 58.200 -0.045 0.000 1.148 822 S CB 0.228 63.426 63.200 -0.005 0.000 1.077 822 S HN 0.623 nan 8.310 nan 0.000 0.479 823 P HA 0.117 nan 4.420 nan 0.000 0.245 823 P C -0.552 176.689 177.300 -0.098 0.000 1.670 823 P CA 0.007 63.009 63.100 -0.164 0.000 1.146 823 P CB -0.784 30.746 31.700 -0.284 0.000 1.954 824 N N 0.507 119.172 118.700 -0.057 0.000 2.291 824 N HA 0.179 4.715 4.740 -0.340 0.000 0.244 824 N C 1.197 176.698 175.510 -0.015 0.000 1.216 824 N CA -0.318 52.715 53.050 -0.029 0.000 0.879 824 N CB -0.411 38.070 38.487 -0.009 0.000 1.167 824 N HN 0.249 nan 8.380 nan 0.000 0.515 825 G N 1.427 110.213 108.800 -0.022 0.000 2.186 825 G HA2 -0.381 3.375 3.960 -0.340 0.000 0.266 825 G HA3 -0.381 3.375 3.960 -0.340 0.000 0.266 825 G C 0.457 175.362 174.900 0.009 0.000 0.982 825 G CA 0.805 45.900 45.100 -0.008 0.000 0.670 825 G HN 0.660 nan 8.290 nan 0.000 0.533 826 D N -0.531 119.880 120.400 0.017 0.000 2.340 826 D HA 0.352 4.788 4.640 -0.340 0.000 0.220 826 D C 1.874 178.188 176.300 0.024 0.000 1.039 826 D CA 0.728 54.748 54.000 0.033 0.000 0.866 826 D CB -0.626 40.211 40.800 0.062 0.000 0.913 826 D HN 1.521 nan 8.370 nan 0.000 0.523 827 G N 0.386 109.196 108.800 0.017 0.000 2.179 827 G HA2 -0.332 3.425 3.960 -0.340 0.000 0.260 827 G HA3 -0.332 3.425 3.960 -0.340 0.000 0.260 827 G C 0.109 175.004 174.900 -0.009 0.000 0.977 827 G CA 0.138 45.248 45.100 0.016 0.000 0.641 827 G HN 0.602 nan 8.290 nan 0.000 0.533 828 N N 0.422 119.117 118.700 -0.007 0.000 2.527 828 N HA 0.510 5.046 4.740 -0.340 0.000 0.236 828 N C 0.900 176.374 175.510 -0.059 0.000 0.999 828 N CA -0.473 52.566 53.050 -0.017 0.000 0.935 828 N CB -0.050 38.460 38.487 0.038 0.000 1.132 828 N HN 0.371 nan 8.380 nan 0.000 0.511 829 R N 1.653 122.068 120.500 -0.142 0.000 3.333 829 R HA -0.178 3.959 4.340 -0.340 0.000 0.256 829 R C -0.543 175.637 176.300 -0.200 0.000 1.010 829 R CA 0.593 56.567 56.100 -0.210 0.000 0.680 829 R CB -1.192 29.027 30.300 -0.135 0.000 1.102 829 R HN 0.633 nan 8.270 nan 0.000 0.440 830 D N -0.692 119.588 120.400 -0.200 0.000 2.289 830 D HA 0.024 4.461 4.640 -0.340 0.000 0.207 830 D C 0.547 176.771 176.300 -0.128 0.000 0.966 830 D CA 1.460 55.390 54.000 -0.116 0.000 0.868 830 D CB 0.160 40.966 40.800 0.011 0.000 0.943 830 D HN 0.560 nan 8.370 nan 0.000 0.514 831 Y N -1.855 118.328 120.300 -0.194 0.000 2.705 831 Y HA 0.548 4.894 4.550 -0.340 0.000 0.332 831 Y C -1.239 174.560 175.900 -0.169 0.000 1.221 831 Y CA -1.759 56.203 58.100 -0.231 0.000 1.059 831 Y CB 0.904 39.252 38.460 -0.187 0.000 1.298 831 Y HN -0.246 nan 8.280 nan 0.000 0.459 832 V N -0.286 119.664 119.914 0.060 0.000 2.656 832 V HA 0.721 4.637 4.120 -0.340 0.000 0.307 832 V C -1.091 175.080 176.094 0.128 0.000 1.051 832 V CA -0.746 61.521 62.300 -0.055 0.000 0.893 832 V CB 1.521 33.175 31.823 -0.281 0.000 0.999 832 V HN 1.052 nan 8.190 nan 0.000 0.426 833 Q N 2.796 122.697 119.800 0.169 0.000 2.347 833 Q HA 0.527 4.664 4.340 -0.340 0.000 0.271 833 Q C -1.806 174.377 176.000 0.305 0.000 1.064 833 Q CA -0.773 55.205 55.803 0.292 0.000 0.800 833 Q CB 2.662 31.593 28.738 0.322 0.000 1.304 833 Q HN 0.881 nan 8.270 nan 0.000 0.438 834 F N 3.108 123.249 119.950 0.319 0.000 2.495 834 F HA 0.222 4.545 4.527 -0.340 0.000 0.365 834 F C -0.540 175.498 175.800 0.397 0.000 1.090 834 F CA 0.331 58.535 58.000 0.339 0.000 1.235 834 F CB 0.872 40.137 39.000 0.442 0.000 1.119 834 F HN 0.529 nan 8.300 nan 0.000 0.562 835 Q N 4.785 124.355 119.800 -0.382 0.000 2.321 835 Q HA 0.630 4.766 4.340 -0.340 0.000 0.270 835 Q C -1.145 174.410 176.000 -0.743 0.000 1.032 835 Q CA -0.848 54.743 55.803 -0.353 0.000 0.784 835 Q CB 1.821 30.526 28.738 -0.056 0.000 1.264 835 Q HN 0.987 nan 8.270 nan 0.000 0.448 836 G N 1.328 109.817 108.800 -0.518 0.000 2.571 836 G HA2 0.481 4.237 3.960 -0.340 0.000 0.304 836 G HA3 0.481 4.237 3.960 -0.340 0.000 0.304 836 G C -1.137 173.749 174.900 -0.024 0.000 1.314 836 G CA -0.397 44.469 45.100 -0.390 0.000 0.975 836 G HN 0.452 nan 8.290 nan 0.000 0.485 837 T N 2.133 116.645 114.554 -0.071 0.000 2.853 837 T HA 0.356 4.502 4.350 -0.340 0.000 0.317 837 T C -0.657 174.041 174.700 -0.004 0.000 1.059 837 T CA -0.001 62.156 62.100 0.094 0.000 0.954 837 T CB -0.180 68.800 68.868 0.186 0.000 0.994 837 T HN 0.246 nan 8.240 nan 0.000 0.479 838 F N 2.881 122.929 119.950 0.163 0.000 2.420 838 F HA 0.301 4.624 4.527 -0.340 0.000 0.352 838 F C 1.329 177.229 175.800 0.167 0.000 1.108 838 F CA -0.696 57.370 58.000 0.111 0.000 1.162 838 F CB 0.835 39.895 39.000 0.100 0.000 1.118 838 F HN 0.453 nan 8.300 nan 0.000 0.510 839 L N 3.226 124.523 121.223 0.124 0.000 2.446 839 L HA 0.210 4.347 4.340 -0.340 0.000 0.219 839 L C 0.565 177.424 176.870 -0.019 0.000 1.116 839 L CA 0.591 55.350 54.840 -0.134 0.000 0.844 839 L CB -0.181 41.590 42.059 -0.479 0.000 0.970 839 L HN 0.511 nan 8.230 nan 0.000 0.457 840 R N -0.760 119.817 120.500 0.127 0.000 2.774 840 R HA 0.322 4.458 4.340 -0.340 0.000 0.272 840 R C -0.828 175.524 176.300 0.088 0.000 1.000 840 R CA -0.990 55.156 56.100 0.077 0.000 0.906 840 R CB 1.223 31.521 30.300 -0.005 0.000 1.227 840 R HN -0.110 nan 8.270 nan 0.000 0.468 841 N N 0.424 119.098 118.700 -0.042 0.000 2.479 841 N HA 0.354 4.890 4.740 -0.340 0.000 0.257 841 N C -0.730 174.733 175.510 -0.079 0.000 1.232 841 N CA 0.421 53.394 53.050 -0.128 0.000 0.920 841 N CB 1.421 39.745 38.487 -0.271 0.000 1.105 841 N HN 0.639 nan 8.380 nan 0.000 0.444 842 A N 0.901 123.635 122.820 -0.143 0.000 2.564 842 A HA 0.740 4.856 4.320 -0.340 0.000 0.288 842 A C -0.978 176.546 177.584 -0.101 0.000 1.164 842 A CA -0.686 51.300 52.037 -0.085 0.000 0.712 842 A CB 1.640 20.601 19.000 -0.066 0.000 1.303 842 A HN 0.688 nan 8.150 nan 0.000 0.418 843 K N -0.553 119.822 120.400 -0.043 0.000 2.512 843 K HA 0.629 4.745 4.320 -0.340 0.000 0.263 843 K C -0.708 175.878 176.600 -0.023 0.000 0.966 843 K CA -0.520 55.743 56.287 -0.040 0.000 0.851 843 K CB 1.234 33.720 32.500 -0.023 0.000 1.395 843 K HN 0.746 nan 8.250 nan 0.000 0.440 844 N N 0.287 118.969 118.700 -0.030 0.000 2.727 844 N HA -0.213 4.323 4.740 -0.340 0.000 0.251 844 N C -0.981 174.512 175.510 -0.028 0.000 1.040 844 N CA 0.265 53.297 53.050 -0.030 0.000 0.712 844 N CB -0.970 37.497 38.487 -0.032 0.000 0.912 844 N HN 0.508 nan 8.380 nan 0.000 0.545 845 L N 0.719 121.918 121.223 -0.041 0.000 2.410 845 L HA 0.544 4.680 4.340 -0.340 0.000 0.273 845 L C -0.193 176.646 176.870 -0.053 0.000 1.144 845 L CA 0.113 54.928 54.840 -0.041 0.000 0.863 845 L CB 1.239 43.194 42.059 -0.172 0.000 1.140 845 L HN 0.040 nan 8.230 nan 0.000 0.463 846 V N 5.472 125.347 119.914 -0.065 0.000 2.932 846 V HA 0.890 4.806 4.120 -0.340 0.000 0.307 846 V C -0.618 175.389 176.094 -0.146 0.000 1.147 846 V CA 0.034 62.273 62.300 -0.103 0.000 0.951 846 V CB 1.952 33.698 31.823 -0.128 0.000 1.031 846 V HN 1.145 nan 8.190 nan 0.000 0.426 847 A N 5.206 127.935 122.820 -0.152 0.000 2.325 847 A HA 0.952 5.069 4.320 -0.340 0.000 0.333 847 A C -0.467 176.978 177.584 -0.233 0.000 1.155 847 A CA -0.305 51.608 52.037 -0.206 0.000 0.814 847 A CB 1.109 20.076 19.000 -0.057 0.000 1.206 847 A HN 1.136 nan 8.150 nan 0.000 0.482 848 E N 0.290 120.364 120.200 -0.210 0.000 2.390 848 E HA 0.622 4.769 4.350 -0.340 0.000 0.277 848 E C -1.942 174.613 176.600 -0.074 0.000 0.939 848 E CA -0.841 55.479 56.400 -0.134 0.000 0.769 848 E CB 1.950 31.543 29.700 -0.178 0.000 1.251 848 E HN 0.294 nan 8.360 nan 0.000 0.450 849 V N 3.144 123.049 119.914 -0.014 0.000 2.409 849 V HA 0.376 4.293 4.120 -0.340 0.000 0.291 849 V C -0.337 175.740 176.094 -0.029 0.000 1.020 849 V CA -0.654 61.545 62.300 -0.168 0.000 0.848 849 V CB 1.198 32.586 31.823 -0.724 0.000 0.990 849 V HN 0.571 nan 8.190 nan 0.000 0.430 850 L N 4.311 125.557 121.223 0.037 0.000 2.334 850 L HA 0.611 4.748 4.340 -0.340 0.000 0.276 850 L C -0.099 176.880 176.870 0.183 0.000 1.014 850 L CA -0.860 54.029 54.840 0.082 0.000 0.815 850 L CB 1.973 44.047 42.059 0.024 0.000 1.268 850 L HN 0.711 nan 8.230 nan 0.000 0.428 851 D N 1.060 121.568 120.400 0.181 0.000 2.433 851 D HA 0.054 4.490 4.640 -0.340 0.000 0.255 851 D C 0.792 177.068 176.300 -0.040 0.000 1.226 851 D CA -0.615 53.446 54.000 0.100 0.000 1.015 851 D CB 0.863 41.753 40.800 0.149 0.000 1.091 851 D HN 0.423 nan 8.370 nan 0.000 0.527 852 K N -0.812 119.505 120.400 -0.138 0.000 2.160 852 K HA -0.178 3.939 4.320 -0.340 0.000 0.206 852 K C 1.285 177.856 176.600 -0.049 0.000 1.047 852 K CA 1.182 57.407 56.287 -0.104 0.000 0.930 852 K CB 0.071 32.497 32.500 -0.124 0.000 0.720 852 K HN 0.363 nan 8.250 nan 0.000 0.450 853 E N -0.973 119.211 120.200 -0.027 0.000 2.347 853 E HA -0.053 4.093 4.350 -0.340 0.000 0.196 853 E C 1.275 177.869 176.600 -0.009 0.000 1.008 853 E CA 0.998 57.391 56.400 -0.012 0.000 0.852 853 E CB 0.190 29.892 29.700 0.003 0.000 0.783 853 E HN 0.576 nan 8.360 nan 0.000 0.505 854 G N 1.447 110.243 108.800 -0.006 0.000 2.159 854 G HA2 -0.204 3.553 3.960 -0.340 0.000 0.227 854 G HA3 -0.204 3.553 3.960 -0.340 0.000 0.227 854 G C 0.030 174.927 174.900 -0.005 0.000 0.986 854 G CA -0.164 44.930 45.100 -0.011 0.000 0.651 854 G HN 0.149 nan 8.290 nan 0.000 0.523 855 N N 0.246 118.955 118.700 0.015 0.000 2.518 855 N HA 0.424 4.960 4.740 -0.340 0.000 0.283 855 N C 0.349 175.880 175.510 0.035 0.000 1.119 855 N CA -0.200 52.862 53.050 0.021 0.000 0.983 855 N CB 1.987 40.496 38.487 0.036 0.000 1.139 855 N HN 0.054 nan 8.380 nan 0.000 0.465 856 V N 2.473 122.395 119.914 0.013 0.000 2.470 856 V HA 0.023 3.940 4.120 -0.340 0.000 0.276 856 V C 1.534 177.657 176.094 0.048 0.000 1.040 856 V CA -0.183 62.123 62.300 0.010 0.000 1.008 856 V CB 0.888 32.691 31.823 -0.033 0.000 0.990 856 V HN 0.600 nan 8.190 nan 0.000 0.477 857 V N 1.637 121.606 119.914 0.091 0.000 3.643 857 V HA 0.450 4.367 4.120 -0.340 0.000 0.280 857 V C -0.075 176.155 176.094 0.226 0.000 1.351 857 V CA -0.161 62.224 62.300 0.142 0.000 1.073 857 V CB -0.222 31.704 31.823 0.172 0.000 0.863 857 V HN 0.785 nan 8.190 nan 0.000 0.436 858 W N -0.239 121.021 121.300 -0.067 0.000 3.571 858 W HA 0.651 5.108 4.660 -0.340 0.000 0.294 858 W C -1.644 174.813 176.519 -0.104 0.000 1.257 858 W CA -0.005 57.304 57.345 -0.060 0.000 1.206 858 W CB 1.371 30.796 29.460 -0.059 0.000 1.325 858 W HN -0.136 nan 8.180 nan 0.000 0.546 859 T N 3.413 117.370 114.554 -0.994 0.000 2.916 859 T HA 0.498 4.644 4.350 -0.340 0.000 0.298 859 T C -0.137 173.666 174.700 -1.494 0.000 1.031 859 T CA -0.605 60.879 62.100 -1.026 0.000 0.993 859 T CB 1.522 70.096 68.868 -0.490 0.000 1.045 859 T HN 0.492 nan 8.240 nan 0.000 0.454 860 S N 2.192 117.128 115.700 -1.273 0.000 2.681 860 S HA 0.509 4.775 4.470 -0.340 0.000 0.270 860 S C -0.032 174.379 174.600 -0.314 0.000 1.209 860 S CA -0.912 56.856 58.200 -0.720 0.000 0.988 860 S CB 0.546 63.602 63.200 -0.240 0.000 1.006 860 S HN 0.565 nan 8.310 nan 0.000 0.558 861 E N 0.246 120.376 120.200 -0.117 0.000 2.404 861 E HA 0.186 4.332 4.350 -0.340 0.000 0.261 861 E C -0.217 176.357 176.600 -0.043 0.000 1.074 861 E CA -0.296 56.069 56.400 -0.058 0.000 0.917 861 E CB 1.082 30.788 29.700 0.010 0.000 0.965 861 E HN 0.461 nan 8.360 nan 0.000 0.433 862 V N 2.031 121.921 119.914 -0.040 0.000 2.607 862 V HA 0.112 4.029 4.120 -0.340 0.000 0.289 862 V C -0.180 175.920 176.094 0.009 0.000 1.053 862 V CA 0.034 62.316 62.300 -0.030 0.000 0.996 862 V CB 1.412 33.210 31.823 -0.042 0.000 0.995 862 V HN 0.610 nan 8.190 nan 0.000 0.476 863 T N 6.379 120.943 114.554 0.017 0.000 3.029 863 T HA 0.253 4.400 4.350 -0.340 0.000 0.346 863 T C 0.757 175.465 174.700 0.012 0.000 1.211 863 T CA -0.263 61.867 62.100 0.050 0.000 1.009 863 T CB 0.788 69.716 68.868 0.100 0.000 1.084 863 T HN 0.882 nan 8.240 nan 0.000 0.536 864 E N 2.190 122.399 120.200 0.014 0.000 2.086 864 E HA -0.194 3.952 4.350 -0.340 0.000 0.205 864 E C 0.641 177.236 176.600 -0.008 0.000 1.027 864 E CA 1.544 57.944 56.400 0.001 0.000 0.830 864 E CB 0.057 29.762 29.700 0.009 0.000 0.751 864 E HN 0.636 nan 8.360 nan 0.000 0.456 865 Q N -0.165 119.637 119.800 0.004 0.000 2.356 865 Q HA 0.549 4.685 4.340 -0.340 0.000 0.270 865 Q C -1.497 174.492 176.000 -0.018 0.000 1.058 865 Q CA -0.611 55.184 55.803 -0.012 0.000 0.802 865 Q CB 3.085 31.830 28.738 0.011 0.000 1.303 865 Q HN -0.078 nan 8.270 nan 0.000 0.444 866 V N 2.374 122.228 119.914 -0.101 0.000 2.407 866 V HA 0.298 4.214 4.120 -0.340 0.000 0.291 866 V C -0.571 175.443 176.094 -0.134 0.000 1.018 866 V CA -0.779 61.421 62.300 -0.166 0.000 0.842 866 V CB 1.757 33.228 31.823 -0.587 0.000 0.996 866 V HN 0.566 nan 8.190 nan 0.000 0.426 867 V N 7.014 126.923 119.914 -0.009 0.000 2.432 867 V HA 0.429 4.346 4.120 -0.340 0.000 0.275 867 V C 0.617 176.771 176.094 0.100 0.000 1.043 867 V CA -0.668 61.657 62.300 0.041 0.000 0.925 867 V CB 1.302 33.223 31.823 0.163 0.000 0.985 867 V HN 0.985 nan 8.190 nan 0.000 0.466 868 K N 5.245 125.714 120.400 0.114 0.000 2.440 868 K HA 0.096 4.212 4.320 -0.340 0.000 0.270 868 K C -0.121 176.668 176.600 0.316 0.000 0.980 868 K CA -0.024 56.440 56.287 0.295 0.000 0.953 868 K CB 0.216 32.927 32.500 0.351 0.000 0.925 868 K HN 0.680 nan 8.250 nan 0.000 0.497 869 N N 2.967 121.858 118.700 0.319 0.000 3.124 869 N HA -0.003 4.533 4.740 -0.340 0.000 0.284 869 N C 0.030 175.477 175.510 -0.105 0.000 1.209 869 N CA -0.104 52.993 53.050 0.078 0.000 1.149 869 N CB -0.069 38.523 38.487 0.175 0.000 1.434 869 N HN 0.626 nan 8.380 nan 0.000 0.529 870 Y N -1.141 119.023 120.300 -0.228 0.000 2.680 870 Y HA 0.187 4.534 4.550 -0.339 0.000 0.303 870 Y C 0.483 176.127 175.900 -0.427 0.000 1.166 870 Y CA -0.119 57.551 58.100 -0.716 0.000 1.344 870 Y CB -0.100 38.206 38.460 -0.258 0.000 1.002 870 Y HN 0.152 nan 8.280 nan 0.000 0.537 871 N N 0.080 118.523 118.700 -0.428 0.000 3.308 871 N HA 0.169 4.705 4.740 -0.340 0.000 0.276 871 N C -2.105 173.098 175.510 -0.512 0.000 1.533 871 N CA -0.693 52.219 53.050 -0.231 0.000 0.878 871 N CB 1.409 39.781 38.487 -0.192 0.000 1.566 871 N HN 0.094 nan 8.380 nan 0.000 0.546 872 N N 1.027 119.469 118.700 -0.430 0.000 2.750 872 N HA 0.274 4.810 4.740 -0.340 0.000 0.253 872 N C -2.198 173.175 175.510 -0.229 0.000 1.408 872 N CA -0.285 52.462 53.050 -0.505 0.000 0.780 872 N CB 0.245 38.351 38.487 -0.636 0.000 1.191 872 N HN 0.441 nan 8.380 nan 0.000 0.511 873 D N 2.359 122.639 120.400 -0.199 0.000 2.990 873 D HA 0.171 4.607 4.640 -0.340 0.000 0.227 873 D C 0.849 177.091 176.300 -0.098 0.000 1.249 873 D CA -0.433 53.505 54.000 -0.104 0.000 0.891 873 D CB 1.815 42.579 40.800 -0.060 0.000 1.647 873 D HN 0.218 nan 8.370 nan 0.000 0.530 874 L N 2.257 123.442 121.223 -0.063 0.000 2.187 874 L HA -0.143 3.993 4.340 -0.340 0.000 0.213 874 L C 2.082 178.924 176.870 -0.047 0.000 1.100 874 L CA 1.485 56.293 54.840 -0.053 0.000 0.765 874 L CB -0.089 41.948 42.059 -0.037 0.000 0.904 874 L HN 0.473 nan 8.230 nan 0.000 0.437 875 A N -1.632 121.168 122.820 -0.034 0.000 2.251 875 A HA 0.019 4.135 4.320 -0.340 0.000 0.209 875 A C 1.956 179.532 177.584 -0.013 0.000 1.187 875 A CA 1.003 53.028 52.037 -0.019 0.000 0.823 875 A CB -0.044 18.954 19.000 -0.003 0.000 0.846 875 A HN 0.518 nan 8.150 nan 0.000 0.486 876 S N -2.979 112.699 115.700 -0.037 0.000 3.730 876 S HA 0.398 4.664 4.470 -0.340 0.000 0.218 876 S C 0.395 174.921 174.600 -0.124 0.000 1.053 876 S CA 0.655 58.841 58.200 -0.023 0.000 0.878 876 S CB 0.406 63.623 63.200 0.029 0.000 1.064 876 S HN 0.461 nan 8.310 nan 0.000 0.583 877 T N 0.906 115.303 114.554 -0.261 0.000 3.047 877 T HA 0.552 4.699 4.350 -0.340 0.000 0.340 877 T C -1.553 172.950 174.700 -0.327 0.000 1.421 877 T CA -0.763 61.143 62.100 -0.323 0.000 1.090 877 T CB 0.987 69.529 68.868 -0.544 0.000 1.292 877 T HN 0.381 nan 8.240 nan 0.000 0.480 878 L N 2.612 123.679 121.223 -0.261 0.000 2.466 878 L HA 0.448 4.584 4.340 -0.340 0.000 0.257 878 L C 2.086 178.735 176.870 -0.368 0.000 1.189 878 L CA -0.213 54.464 54.840 -0.272 0.000 0.813 878 L CB 0.425 42.370 42.059 -0.190 0.000 1.118 878 L HN 0.944 nan 8.230 nan 0.000 0.471 879 G N -0.119 108.388 108.800 -0.488 0.000 2.509 879 G HA2 -0.065 3.692 3.960 -0.340 0.000 0.218 879 G HA3 -0.065 3.692 3.960 -0.340 0.000 0.218 879 G C 0.479 175.286 174.900 -0.155 0.000 1.124 879 G CA 0.800 45.496 45.100 -0.673 0.000 0.776 879 G HN 0.629 nan 8.290 nan 0.000 0.547 880 S N -1.996 113.620 115.700 -0.140 0.000 2.638 880 S HA 0.711 4.977 4.470 -0.340 0.000 0.274 880 S C -1.090 173.438 174.600 -0.120 0.000 1.157 880 S CA -0.661 57.502 58.200 -0.062 0.000 0.826 880 S CB 2.313 65.446 63.200 -0.112 0.000 1.139 880 S HN -0.035 nan 8.310 nan 0.000 0.474 881 T N 1.458 115.937 114.554 -0.125 0.000 2.886 881 T HA 0.545 4.691 4.350 -0.340 0.000 0.292 881 T C -0.899 173.483 174.700 -0.532 0.000 1.012 881 T CA -0.707 61.169 62.100 -0.374 0.000 0.982 881 T CB 1.257 69.801 68.868 -0.540 0.000 1.018 881 T HN 0.599 nan 8.240 nan 0.000 0.451 882 R N 1.815 122.022 120.500 -0.488 0.000 2.207 882 R HA 0.376 4.512 4.340 -0.340 0.000 0.334 882 R C -0.968 175.099 176.300 -0.388 0.000 1.013 882 R CA -0.442 55.474 56.100 -0.308 0.000 0.858 882 R CB 0.574 30.769 30.300 -0.175 0.000 1.094 882 R HN 0.483 nan 8.270 nan 0.000 0.457 883 F N 2.477 122.486 119.950 0.099 0.000 2.351 883 F HA 0.186 4.509 4.527 -0.340 0.000 0.362 883 F C 1.391 177.297 175.800 0.177 0.000 1.131 883 F CA -0.435 57.670 58.000 0.175 0.000 1.187 883 F CB 0.829 40.027 39.000 0.330 0.000 1.434 883 F HN 0.514 nan 8.300 nan 0.000 0.553 884 E N 1.919 122.231 120.200 0.187 0.000 2.160 884 E HA -0.205 3.941 4.350 -0.340 0.000 0.195 884 E C 1.611 178.323 176.600 0.187 0.000 0.991 884 E CA 1.061 57.541 56.400 0.133 0.000 0.810 884 E CB 0.016 29.734 29.700 0.030 0.000 0.742 884 E HN 0.632 nan 8.360 nan 0.000 0.466 885 K N 0.398 120.935 120.400 0.228 0.000 2.280 885 K HA -0.091 4.025 4.320 -0.340 0.000 0.202 885 K C 2.204 178.991 176.600 0.311 0.000 1.047 885 K CA 1.535 57.955 56.287 0.222 0.000 0.942 885 K CB -0.139 32.470 32.500 0.182 0.000 0.739 885 K HN 0.193 nan 8.250 nan 0.000 0.457 886 T N -1.289 113.502 114.554 0.395 0.000 3.148 886 T HA -0.023 4.123 4.350 -0.340 0.000 0.253 886 T C 0.730 175.809 174.700 0.631 0.000 1.134 886 T CA -0.231 62.178 62.100 0.516 0.000 1.051 886 T CB -0.103 69.106 68.868 0.569 0.000 0.959 886 T HN 0.061 nan 8.240 nan 0.000 0.525 887 R N 0.624 121.385 120.500 0.434 0.000 2.484 887 R HA 0.174 4.310 4.340 -0.340 0.000 0.293 887 R C -1.137 175.364 176.300 0.334 0.000 1.023 887 R CA -0.520 55.761 56.100 0.302 0.000 1.037 887 R CB 0.048 30.350 30.300 0.004 0.000 0.951 887 R HN 0.527 nan 8.270 nan 0.000 0.418 888 W N 6.803 128.088 121.300 -0.027 0.000 2.471 888 W HA 0.218 4.675 4.660 -0.339 0.000 0.318 888 W C -0.592 175.777 176.519 -0.250 0.000 1.034 888 W CA -1.424 55.660 57.345 -0.435 0.000 1.224 888 W CB 1.248 30.351 29.460 -0.595 0.000 1.335 888 W HN 0.688 nan 8.180 nan 0.000 0.452 889 D N 3.183 123.230 120.400 -0.588 0.000 2.460 889 D HA 0.191 4.627 4.640 -0.340 0.000 0.229 889 D C 1.498 177.253 176.300 -0.908 0.000 1.170 889 D CA 0.144 53.823 54.000 -0.535 0.000 0.827 889 D CB -0.227 40.415 40.800 -0.263 0.000 0.973 889 D HN 0.805 nan 8.370 nan 0.000 0.496 890 G N 0.307 107.906 108.800 -2.002 0.000 2.162 890 G HA2 -0.325 3.432 3.960 -0.340 0.000 0.260 890 G HA3 -0.325 3.432 3.960 -0.340 0.000 0.260 890 G C 0.177 174.623 174.900 -0.756 0.000 0.976 890 G CA 0.321 44.319 45.100 -1.836 0.000 0.655 890 G HN 0.487 nan 8.290 nan 0.000 0.533 891 K N 0.729 120.847 120.400 -0.470 0.000 2.095 891 K HA 0.517 4.633 4.320 -0.340 0.000 0.252 891 K C 0.204 176.938 176.600 0.223 0.000 0.977 891 K CA -0.309 55.945 56.287 -0.055 0.000 0.900 891 K CB 0.934 33.416 32.500 -0.030 0.000 1.060 891 K HN 0.344 nan 8.250 nan 0.000 0.449 892 D N 0.125 120.659 120.400 0.224 0.000 2.466 892 D HA 0.036 4.473 4.640 -0.340 0.000 0.262 892 D C 0.626 177.152 176.300 0.376 0.000 1.177 892 D CA -0.553 53.633 54.000 0.310 0.000 1.035 892 D CB 0.556 41.478 40.800 0.203 0.000 1.105 892 D HN 0.345 nan 8.370 nan 0.000 0.551 893 K N -1.320 119.278 120.400 0.330 0.000 2.442 893 K HA -0.132 3.985 4.320 -0.340 0.000 0.200 893 K C -0.170 176.533 176.600 0.172 0.000 1.045 893 K CA 1.145 57.575 56.287 0.237 0.000 0.937 893 K CB 0.015 32.585 32.500 0.117 0.000 0.757 893 K HN 0.307 nan 8.250 nan 0.000 0.474 894 D N -0.858 119.636 120.400 0.157 0.000 2.670 894 D HA 0.160 4.596 4.640 -0.340 0.000 0.255 894 D C 0.387 176.750 176.300 0.106 0.000 1.286 894 D CA 0.431 54.498 54.000 0.111 0.000 0.830 894 D CB 0.743 41.594 40.800 0.084 0.000 1.065 894 D HN 0.301 nan 8.370 nan 0.000 0.486 895 G N 0.635 109.515 108.800 0.134 0.000 2.175 895 G HA2 -0.314 3.443 3.960 -0.340 0.000 0.265 895 G HA3 -0.314 3.443 3.960 -0.340 0.000 0.265 895 G C 0.661 175.602 174.900 0.068 0.000 0.979 895 G CA 0.880 46.040 45.100 0.100 0.000 0.663 895 G HN 0.662 nan 8.290 nan 0.000 0.533 896 K N 0.526 120.973 120.400 0.078 0.000 2.211 896 K HA 0.793 4.910 4.320 -0.340 0.000 0.275 896 K C 0.534 177.157 176.600 0.038 0.000 1.024 896 K CA -0.037 56.282 56.287 0.054 0.000 0.887 896 K CB 1.583 nan 32.500 nan 0.000 1.084 896 K HN 1.002 nan 8.250 nan 0.000 0.463 897 V N 3.191 123.107 119.914 0.003 0.000 2.617 897 V HA -0.001 3.915 4.120 -0.340 0.000 0.304 897 V C 0.849 176.944 176.094 0.002 0.000 1.040 897 V CA -0.516 61.762 62.300 -0.037 0.000 1.149 897 V CB 0.767 32.560 31.823 -0.051 0.000 0.914 897 V HN 0.607 nan 8.190 nan 0.000 0.487 898 V N 4.628 124.534 119.914 -0.015 0.000 2.924 898 V HA 0.422 4.338 4.120 -0.340 0.000 0.305 898 V C 0.884 177.032 176.094 0.091 0.000 1.073 898 V CA -0.207 62.117 62.300 0.040 0.000 1.098 898 V CB 1.031 32.811 31.823 -0.071 0.000 1.000 898 V HN 1.067 nan 8.190 nan 0.000 0.484 899 A N 3.244 126.177 122.820 0.189 0.000 2.425 899 A HA 0.255 4.371 4.320 -0.340 0.000 0.242 899 A C 0.472 178.213 177.584 0.262 0.000 1.077 899 A CA -0.434 51.716 52.037 0.188 0.000 0.781 899 A CB -0.252 18.851 19.000 0.171 0.000 1.020 899 A HN 0.881 nan 8.150 nan 0.000 0.494 900 N N 0.318 119.124 118.700 0.176 0.000 2.407 900 N HA 0.427 4.963 4.740 -0.340 0.000 0.250 900 N C 0.459 176.084 175.510 0.192 0.000 1.236 900 N CA 1.458 54.617 53.050 0.182 0.000 0.879 900 N CB 0.760 39.314 38.487 0.112 0.000 1.088 900 N HN 1.142 nan 8.380 nan 0.000 0.450 901 G N -0.180 108.745 108.800 0.208 0.000 2.345 901 G HA2 0.174 3.930 3.960 -0.340 0.000 0.285 901 G HA3 0.174 3.930 3.960 -0.340 0.000 0.285 901 G C -1.531 173.374 174.900 0.007 0.000 1.297 901 G CA -0.720 44.403 45.100 0.038 0.000 0.875 901 G HN 0.426 nan 8.290 nan 0.000 0.506 902 T N 0.689 115.110 114.554 -0.222 0.000 2.797 902 T HA 0.712 4.858 4.350 -0.340 0.000 0.279 902 T C -1.228 173.237 174.700 -0.392 0.000 0.991 902 T CA 0.071 62.088 62.100 -0.139 0.000 0.979 902 T CB 0.959 69.762 68.868 -0.109 0.000 0.943 902 T HN 0.392 nan 8.240 nan 0.000 0.444 903 Y N 0.284 120.664 120.300 0.132 0.000 2.633 903 Y HA 0.543 4.890 4.550 -0.340 0.000 0.339 903 Y C 0.676 176.644 175.900 0.114 0.000 1.045 903 Y CA -1.140 57.029 58.100 0.116 0.000 1.098 903 Y CB 1.707 40.254 38.460 0.146 0.000 1.296 903 Y HN 0.404 nan 8.280 nan 0.000 0.494 904 T N 1.483 116.178 114.554 0.236 0.000 2.788 904 T HA 0.168 4.314 4.350 -0.340 0.000 0.296 904 T C -1.532 173.291 174.700 0.205 0.000 1.009 904 T CA -0.435 61.781 62.100 0.195 0.000 0.949 904 T CB -0.281 68.651 68.868 0.107 0.000 0.946 904 T HN 0.408 nan 8.240 nan 0.000 0.453 905 Y N 4.642 125.046 120.300 0.173 0.000 2.477 905 Y HA 0.440 4.786 4.550 -0.340 0.000 0.349 905 Y C 0.412 176.476 175.900 0.274 0.000 0.977 905 Y CA -1.062 57.136 58.100 0.163 0.000 1.214 905 Y CB 0.243 38.847 38.460 0.240 0.000 1.124 905 Y HN 0.488 nan 8.280 nan 0.000 0.521 906 R N 5.192 125.608 120.500 -0.139 0.000 2.393 906 R HA 0.676 4.812 4.340 -0.340 0.000 0.310 906 R C -1.945 174.210 176.300 -0.242 0.000 0.968 906 R CA -0.632 55.420 56.100 -0.080 0.000 0.867 906 R CB 1.040 31.302 30.300 -0.063 0.000 1.124 906 R HN 0.534 nan 8.270 nan 0.000 0.450 907 V N 5.563 125.414 119.914 -0.105 0.000 2.384 907 V HA 0.479 4.395 4.120 -0.340 0.000 0.287 907 V C -0.152 175.930 176.094 -0.020 0.000 1.020 907 V CA -0.740 61.449 62.300 -0.185 0.000 0.850 907 V CB 1.456 33.022 31.823 -0.428 0.000 0.987 907 V HN 0.797 nan 8.190 nan 0.000 0.436 908 R N 4.156 124.612 120.500 -0.074 0.000 2.589 908 R HA 0.817 4.953 4.340 -0.340 0.000 0.293 908 R C -1.446 174.808 176.300 -0.077 0.000 0.963 908 R CA -0.625 55.362 56.100 -0.188 0.000 0.905 908 R CB 2.048 32.242 30.300 -0.177 0.000 1.144 908 R HN 0.803 nan 8.270 nan 0.000 0.459 909 Y N -2.574 117.718 120.300 -0.013 0.000 2.641 909 Y HA 0.540 4.886 4.550 -0.340 0.000 0.333 909 Y C -1.161 174.745 175.900 0.010 0.000 1.174 909 Y CA -1.186 56.910 58.100 -0.006 0.000 1.057 909 Y CB 1.501 40.006 38.460 0.076 0.000 1.322 909 Y HN 0.320 nan 8.280 nan 0.000 0.457 910 T N 3.109 117.719 114.554 0.094 0.000 2.848 910 T HA 0.514 4.661 4.350 -0.340 0.000 0.285 910 T C -2.936 171.809 174.700 0.075 0.000 0.995 910 T CA -1.610 60.514 62.100 0.039 0.000 0.970 910 T CB 1.937 70.799 68.868 -0.010 0.000 0.976 910 T HN 0.336 nan 8.240 nan 0.000 0.441 911 P HA 0.127 nan 4.420 nan 0.000 0.270 911 P C 0.880 178.192 177.300 0.020 0.000 1.223 911 P CA -0.446 62.684 63.100 0.049 0.000 0.785 911 P CB 0.362 32.075 31.700 0.022 0.000 0.923 912 I N -2.354 118.221 120.570 0.008 0.000 3.251 912 I HA 0.071 4.037 4.170 -0.340 0.000 0.277 912 I C 0.405 176.536 176.117 0.024 0.000 1.268 912 I CA 0.541 61.845 61.300 0.007 0.000 1.449 912 I CB -1.242 36.753 38.000 -0.008 0.000 1.083 912 I HN -0.040 nan 8.210 nan 0.000 0.464 913 S N 1.555 117.279 115.700 0.040 0.000 2.558 913 S HA 0.041 4.307 4.470 -0.340 0.000 0.288 913 S C 0.501 175.129 174.600 0.046 0.000 1.318 913 S CA -0.066 58.174 58.200 0.067 0.000 1.056 913 S CB 0.189 63.452 63.200 0.106 0.000 0.853 913 S HN 0.550 nan 8.310 nan 0.000 0.505 914 S N 1.964 117.693 115.700 0.048 0.000 2.525 914 S HA 0.409 4.675 4.470 -0.340 0.000 0.285 914 S C 1.460 176.081 174.600 0.035 0.000 1.283 914 S CA 0.494 58.715 58.200 0.035 0.000 1.072 914 S CB -0.529 62.693 63.200 0.036 0.000 0.867 914 S HN 1.345 nan 8.310 nan 0.000 0.492 915 G N 3.200 112.014 108.800 0.022 0.000 2.241 915 G HA2 -0.183 3.573 3.960 -0.340 0.000 0.244 915 G HA3 -0.183 3.573 3.960 -0.340 0.000 0.244 915 G C 0.390 175.298 174.900 0.013 0.000 0.998 915 G CA 0.048 45.158 45.100 0.018 0.000 0.621 915 G HN 1.616 nan 8.290 nan 0.000 0.519 916 A N 0.681 123.510 122.820 0.016 0.000 2.565 916 A HA 0.467 4.584 4.320 -0.340 0.000 0.237 916 A C 0.750 178.330 177.584 -0.007 0.000 1.053 916 A CA 1.174 53.215 52.037 0.007 0.000 0.755 916 A CB 0.147 19.152 19.000 0.008 0.000 0.980 916 A HN 0.582 nan 8.150 nan 0.000 0.506 917 K N 1.306 121.698 120.400 -0.014 0.000 2.126 917 K HA 0.234 4.350 4.320 -0.340 0.000 0.257 917 K C 0.344 176.917 176.600 -0.044 0.000 1.007 917 K CA -0.349 55.923 56.287 -0.026 0.000 0.928 917 K CB 0.849 33.335 32.500 -0.024 0.000 1.013 917 K HN 0.847 nan 8.250 nan 0.000 0.473 918 E N 1.949 122.111 120.200 -0.063 0.000 2.373 918 E HA -0.035 4.111 4.350 -0.340 0.000 0.267 918 E C -0.782 175.733 176.600 -0.142 0.000 1.032 918 E CA -0.024 56.310 56.400 -0.109 0.000 0.889 918 E CB 0.718 30.349 29.700 -0.115 0.000 0.984 918 E HN 0.319 nan 8.360 nan 0.000 0.425 919 Q N 2.291 121.915 119.800 -0.293 0.000 2.306 919 Q HA 0.398 4.534 4.340 -0.340 0.000 0.269 919 Q C -0.656 174.968 176.000 -0.628 0.000 1.053 919 Q CA -0.967 54.618 55.803 -0.363 0.000 0.879 919 Q CB 1.926 30.482 28.738 -0.304 0.000 1.344 919 Q HN 0.644 nan 8.270 nan 0.000 0.464 920 H N -1.933 116.837 119.070 -0.500 0.000 3.014 920 H HA 0.544 4.897 4.556 -0.339 0.000 0.337 920 H C -1.598 173.671 175.328 -0.097 0.000 1.320 920 H CA -0.833 54.988 56.048 -0.378 0.000 1.128 920 H CB 1.662 31.273 29.762 -0.251 0.000 1.862 920 H HN 0.543 nan 8.280 nan 0.000 0.536 921 T N 2.300 116.847 114.554 -0.010 0.000 2.879 921 T HA 0.271 4.418 4.350 -0.340 0.000 0.290 921 T C -1.047 173.631 174.700 -0.038 0.000 0.993 921 T CA -0.647 61.401 62.100 -0.086 0.000 0.975 921 T CB 1.579 70.469 68.868 0.036 0.000 0.981 921 T HN 0.451 nan 8.240 nan 0.000 0.439 922 D N 1.564 121.880 120.400 -0.139 0.000 2.181 922 D HA 0.633 5.069 4.640 -0.340 0.000 0.248 922 D C -0.867 175.306 176.300 -0.211 0.000 1.020 922 D CA -0.232 53.761 54.000 -0.012 0.000 0.891 922 D CB 1.044 41.883 40.800 0.066 0.000 1.187 922 D HN 0.315 nan 8.370 nan 0.000 0.443 923 F N 0.649 120.743 119.950 0.240 0.000 2.539 923 F HA 0.216 4.540 4.527 -0.339 0.000 0.318 923 F C 0.127 176.062 175.800 0.225 0.000 1.135 923 F CA -0.999 57.154 58.000 0.254 0.000 0.915 923 F CB 1.585 40.804 39.000 0.366 0.000 1.176 923 F HN -0.062 nan 8.300 nan 0.000 0.440 924 D N 3.048 123.632 120.400 0.308 0.000 2.317 924 D HA 0.412 4.848 4.640 -0.340 0.000 0.252 924 D C -0.596 175.866 176.300 0.271 0.000 1.174 924 D CA 0.252 54.392 54.000 0.234 0.000 0.866 924 D CB 1.881 42.753 40.800 0.121 0.000 1.127 924 D HN 0.130 nan 8.370 nan 0.000 0.467 925 V N 3.879 123.976 119.914 0.306 0.000 2.531 925 V HA 0.316 4.232 4.120 -0.340 0.000 0.301 925 V C 0.185 176.487 176.094 0.347 0.000 1.034 925 V CA -1.078 61.417 62.300 0.325 0.000 0.865 925 V CB 1.584 33.642 31.823 0.392 0.000 0.995 925 V HN 0.378 nan 8.190 nan 0.000 0.424 926 I N 4.195 124.936 120.570 0.285 0.000 2.499 926 I HA 0.758 4.724 4.170 -0.340 0.000 0.296 926 I C -0.411 175.876 176.117 0.283 0.000 0.992 926 I CA 0.008 61.471 61.300 0.272 0.000 1.297 926 I CB 1.662 39.782 38.000 0.201 0.000 1.410 926 I HN 0.282 nan 8.210 nan 0.000 0.507 927 V N 5.175 125.276 119.914 0.310 0.000 2.495 927 V HA 0.561 4.478 4.120 -0.340 0.000 0.298 927 V C -0.889 175.300 176.094 0.158 0.000 1.031 927 V CA -0.301 62.114 62.300 0.192 0.000 0.871 927 V CB 1.401 33.340 31.823 0.194 0.000 0.988 927 V HN 0.890 nan 8.190 nan 0.000 0.432 928 D N 3.375 123.830 120.400 0.092 0.000 2.591 928 D HA 0.224 4.660 4.640 -0.340 0.000 0.222 928 D C -0.459 175.870 176.300 0.048 0.000 1.360 928 D CA -0.323 53.727 54.000 0.084 0.000 0.967 928 D CB 1.516 42.379 40.800 0.105 0.000 1.456 928 D HN 0.404 nan 8.370 nan 0.000 0.588 929 N N 1.715 120.436 118.700 0.036 0.000 2.251 929 N HA 0.062 4.599 4.740 -0.340 0.000 0.217 929 N C -0.392 175.133 175.510 0.025 0.000 1.124 929 N CA 0.062 53.123 53.050 0.019 0.000 0.843 929 N CB 0.784 39.274 38.487 0.004 0.000 1.024 929 N HN 0.320 nan 8.380 nan 0.000 0.501 930 T N 0.885 115.460 114.554 0.035 0.000 2.784 930 T HA -0.013 4.133 4.350 -0.340 0.000 0.291 930 T C 0.699 175.413 174.700 0.023 0.000 0.942 930 T CA 0.387 62.505 62.100 0.030 0.000 1.161 930 T CB 0.864 69.754 68.868 0.037 0.000 0.885 930 T HN 0.021 nan 8.240 nan 0.000 0.534 931 T N 5.530 120.092 114.554 0.013 0.000 2.901 931 T HA 0.223 4.369 4.350 -0.340 0.000 0.301 931 T C -2.275 172.425 174.700 -0.000 0.000 1.012 931 T CA -1.636 60.465 62.100 0.002 0.000 1.135 931 T CB 0.105 68.967 68.868 -0.011 0.000 0.936 931 T HN 0.225 nan 8.240 nan 0.000 0.539 932 P HA 0.176 nan 4.420 nan 0.000 0.268 932 P C -0.719 176.573 177.300 -0.013 0.000 1.205 932 P CA -0.035 63.060 63.100 -0.008 0.000 0.771 932 P CB 0.367 32.053 31.700 -0.024 0.000 0.858 933 E N 1.743 121.945 120.200 0.002 0.000 2.133 933 E HA 0.403 4.549 4.350 -0.340 0.000 0.274 933 E C -0.725 175.890 176.600 0.025 0.000 0.930 933 E CA -0.777 55.627 56.400 0.007 0.000 0.770 933 E CB 0.764 30.471 29.700 0.012 0.000 1.104 933 E HN 0.252 nan 8.360 nan 0.000 0.403 934 V N 0.606 120.540 119.914 0.034 0.000 3.126 934 V HA 0.840 4.756 4.120 -0.340 0.000 0.314 934 V C 0.075 176.220 176.094 0.085 0.000 1.138 934 V CA -1.010 61.348 62.300 0.097 0.000 1.034 934 V CB 1.248 33.166 31.823 0.159 0.000 1.075 934 V HN 0.759 nan 8.190 nan 0.000 0.442 935 A N 1.126 124.011 122.820 0.108 0.000 2.586 935 A HA 0.407 4.523 4.320 -0.340 0.000 0.231 935 A C 1.178 178.756 177.584 -0.009 0.000 1.055 935 A CA 0.801 52.848 52.037 0.017 0.000 0.756 935 A CB -0.197 18.780 19.000 -0.038 0.000 0.988 935 A HN 1.870 nan 8.150 nan 0.000 0.509 936 T N -1.549 112.962 114.554 -0.071 0.000 3.044 936 T HA 0.410 4.556 4.350 -0.340 0.000 0.260 936 T C 0.425 174.985 174.700 -0.234 0.000 1.019 936 T CA 0.486 62.520 62.100 -0.109 0.000 0.921 936 T CB -0.494 68.306 68.868 -0.114 0.000 1.053 936 T HN 1.582 nan 8.240 nan 0.000 0.533 937 S N -0.056 115.509 115.700 -0.225 0.000 2.579 937 S HA 0.883 5.149 4.470 -0.340 0.000 0.272 937 S C -1.247 173.291 174.600 -0.103 0.000 1.141 937 S CA -0.481 57.564 58.200 -0.258 0.000 0.843 937 S CB 1.854 64.791 63.200 -0.438 0.000 1.122 937 S HN 1.002 nan 8.310 nan 0.000 0.468 938 A N 0.902 123.711 122.820 -0.019 0.000 2.601 938 A HA 0.904 5.020 4.320 -0.340 0.000 0.291 938 A C -0.502 177.111 177.584 0.048 0.000 1.075 938 A CA -0.371 51.657 52.037 -0.014 0.000 0.671 938 A CB 1.086 20.047 19.000 -0.064 0.000 1.277 938 A HN 1.907 nan 8.150 nan 0.000 0.417 939 T N -1.662 112.921 114.554 0.048 0.000 2.863 939 T HA 0.700 4.847 4.350 -0.340 0.000 0.285 939 T C -1.015 173.754 174.700 0.115 0.000 1.009 939 T CA -0.385 61.759 62.100 0.073 0.000 0.989 939 T CB 1.276 70.165 68.868 0.034 0.000 1.004 939 T HN 1.197 nan 8.240 nan 0.000 0.455 940 F N 2.358 122.287 119.950 -0.034 0.000 2.467 940 F HA 0.637 4.960 4.527 -0.340 0.000 0.336 940 F C 0.136 175.912 175.800 -0.040 0.000 1.123 940 F CA -0.850 57.121 58.000 -0.049 0.000 0.964 940 F CB 2.026 40.989 39.000 -0.062 0.000 1.136 940 F HN 0.714 nan 8.300 nan 0.000 0.447 941 S N 3.791 119.032 115.700 -0.765 0.000 2.404 941 S HA 0.167 4.434 4.470 -0.340 0.000 0.309 941 S C 1.184 175.311 174.600 -0.789 0.000 1.076 941 S CA 0.050 57.909 58.200 -0.568 0.000 1.095 941 S CB 0.242 63.221 63.200 -0.368 0.000 0.972 941 S HN 0.882 nan 8.310 nan 0.000 0.484 942 T N 1.708 116.011 114.554 -0.418 0.000 2.977 942 T HA -0.079 4.067 4.350 -0.340 0.000 0.271 942 T C 1.270 175.869 174.700 -0.169 0.000 1.105 942 T CA 1.279 63.257 62.100 -0.204 0.000 1.116 942 T CB -0.208 68.658 68.868 -0.002 0.000 0.878 942 T HN 0.733 nan 8.240 nan 0.000 0.509 943 E N 0.620 120.709 120.200 -0.185 0.000 2.057 943 E HA -0.089 4.057 4.350 -0.340 0.000 0.190 943 E C 1.978 178.494 176.600 -0.140 0.000 0.969 943 E CA 0.669 56.994 56.400 -0.125 0.000 0.812 943 E CB 0.012 29.652 29.700 -0.100 0.000 0.777 943 E HN 0.350 nan 8.360 nan 0.000 0.455 944 D N -0.411 119.874 120.400 -0.192 0.000 2.249 944 D HA -0.074 4.362 4.640 -0.340 0.000 0.205 944 D C 0.736 176.918 176.300 -0.197 0.000 0.962 944 D CA 0.467 54.366 54.000 -0.167 0.000 0.860 944 D CB 0.309 41.011 40.800 -0.162 0.000 0.955 944 D HN -0.011 nan 8.370 nan 0.000 0.505 945 R N -0.391 119.900 120.500 -0.349 0.000 3.892 945 R HA -0.145 3.991 4.340 -0.340 0.000 0.441 945 R C -0.728 175.400 176.300 -0.286 0.000 1.052 945 R CA 0.654 56.553 56.100 -0.335 0.000 1.190 945 R CB -1.973 28.281 30.300 -0.075 0.000 1.808 945 R HN 0.166 nan 8.270 nan 0.000 0.538 946 R N 0.222 120.522 120.500 -0.334 0.000 2.457 946 R HA 0.450 4.586 4.340 -0.340 0.000 0.284 946 R C -0.315 175.936 176.300 -0.082 0.000 1.024 946 R CA -0.785 55.241 56.100 -0.124 0.000 1.025 946 R CB 0.990 31.235 30.300 -0.091 0.000 1.063 946 R HN 0.009 nan 8.270 nan 0.000 0.493 947 L N 2.504 123.819 121.223 0.154 0.000 2.280 947 L HA 0.375 4.511 4.340 -0.340 0.000 0.287 947 L C -0.979 175.957 176.870 0.109 0.000 1.023 947 L CA 0.051 55.022 54.840 0.219 0.000 0.819 947 L CB 1.670 43.841 42.059 0.187 0.000 1.212 947 L HN 0.628 nan 8.230 nan 0.000 0.420 948 T N 6.521 121.106 114.554 0.052 0.000 2.749 948 T HA 0.479 4.625 4.350 -0.340 0.000 0.287 948 T C 0.313 175.009 174.700 -0.008 0.000 0.970 948 T CA -0.349 61.764 62.100 0.022 0.000 0.980 948 T CB 1.021 69.888 68.868 -0.002 0.000 0.924 948 T HN 0.437 nan 8.240 nan 0.000 0.456 949 L N 2.380 123.588 121.223 -0.024 0.000 2.371 949 L HA 0.406 4.543 4.340 -0.340 0.000 0.272 949 L C 1.748 178.592 176.870 -0.043 0.000 1.124 949 L CA -0.720 54.072 54.840 -0.081 0.000 0.816 949 L CB 0.613 42.595 42.059 -0.128 0.000 1.129 949 L HN 0.764 nan 8.230 nan 0.000 0.448 950 A N 2.121 124.908 122.820 -0.054 0.000 1.972 950 A HA -0.040 4.076 4.320 -0.340 0.000 0.219 950 A C 1.239 178.809 177.584 -0.022 0.000 1.169 950 A CA 1.721 53.734 52.037 -0.039 0.000 0.635 950 A CB -0.198 18.766 19.000 -0.061 0.000 0.810 950 A HN 0.885 nan 8.150 nan 0.000 0.446 951 S N -4.004 111.689 115.700 -0.013 0.000 3.636 951 S HA 0.448 4.715 4.470 -0.340 0.000 0.304 951 S C -0.432 174.191 174.600 0.038 0.000 1.165 951 S CA -0.045 58.160 58.200 0.009 0.000 1.244 951 S CB 0.456 63.658 63.200 0.003 0.000 1.621 951 S HN 0.279 nan 8.310 nan 0.000 0.537 952 K N 0.333 120.759 120.400 0.043 0.000 2.284 952 K HA -0.158 3.958 4.320 -0.340 0.000 0.253 952 K C -2.713 173.942 176.600 0.091 0.000 1.569 952 K CA 1.073 57.399 56.287 0.064 0.000 0.772 952 K CB -2.781 29.765 32.500 0.077 0.000 0.801 952 K HN 0.671 nan 8.250 nan 0.000 0.913 953 P HA 0.310 nan 4.420 nan 0.000 0.285 953 P C -0.775 176.562 177.300 0.062 0.000 1.259 953 P CA -0.182 62.978 63.100 0.102 0.000 0.794 953 P CB 0.698 32.466 31.700 0.113 0.000 0.940 954 K N 2.036 122.464 120.400 0.046 0.000 2.339 954 K HA 0.519 4.635 4.320 -0.340 0.000 0.264 954 K C -0.687 175.931 176.600 0.030 0.000 0.986 954 K CA -0.377 55.931 56.287 0.036 0.000 0.866 954 K CB 0.626 33.144 32.500 0.029 0.000 1.103 954 K HN 0.561 nan 8.250 nan 0.000 0.441 955 T N -0.656 113.918 114.554 0.033 0.000 2.916 955 T HA 0.194 4.340 4.350 -0.340 0.000 0.292 955 T C 0.806 175.531 174.700 0.042 0.000 1.055 955 T CA -0.792 61.328 62.100 0.034 0.000 1.009 955 T CB 1.697 70.586 68.868 0.034 0.000 1.118 955 T HN 0.331 nan 8.240 nan 0.000 0.497 956 S N 0.423 116.151 115.700 0.047 0.000 2.357 956 S HA 0.016 4.282 4.470 -0.340 0.000 0.221 956 S C 0.768 175.412 174.600 0.074 0.000 1.031 956 S CA 0.778 59.012 58.200 0.056 0.000 0.982 956 S CB -0.348 62.887 63.200 0.058 0.000 0.853 956 S HN 0.696 nan 8.310 nan 0.000 0.458 957 Q N 1.203 121.053 119.800 0.083 0.000 2.193 957 Q HA 0.485 4.621 4.340 -0.340 0.000 0.246 957 Q C -2.551 173.491 176.000 0.071 0.000 0.959 957 Q CA -2.472 53.398 55.803 0.112 0.000 0.904 957 Q CB 0.339 29.152 28.738 0.124 0.000 1.238 957 Q HN 0.226 nan 8.270 nan 0.000 0.469 958 P HA -0.031 nan 4.420 nan 0.000 0.269 958 P C -0.456 176.839 177.300 -0.007 0.000 1.217 958 P CA -0.110 63.007 63.100 0.027 0.000 0.783 958 P CB 0.423 32.136 31.700 0.023 0.000 0.898 959 V N 2.789 122.709 119.914 0.010 0.000 2.655 959 V HA -0.101 3.815 4.120 -0.340 0.000 0.300 959 V C 1.031 177.145 176.094 0.034 0.000 1.044 959 V CA 0.544 62.860 62.300 0.026 0.000 1.095 959 V CB -0.123 31.720 31.823 0.033 0.000 0.952 959 V HN 0.564 nan 8.190 nan 0.000 0.485 960 Y N 6.009 126.242 120.300 -0.112 0.000 2.217 960 Y HA 0.354 4.700 4.550 -0.339 0.000 0.286 960 Y C 1.032 176.881 175.900 -0.085 0.000 1.117 960 Y CA 0.372 58.381 58.100 -0.152 0.000 1.113 960 Y CB 0.264 38.674 38.460 -0.083 0.000 1.053 960 Y HN 0.493 nan 8.280 nan 0.000 0.501 961 R N 0.818 121.215 120.500 -0.172 0.000 2.621 961 R HA 0.356 4.492 4.340 -0.340 0.000 0.284 961 R C -1.305 174.924 176.300 -0.119 0.000 0.998 961 R CA -0.674 55.272 56.100 -0.256 0.000 0.895 961 R CB 2.315 32.280 30.300 -0.557 0.000 1.195 961 R HN 0.174 nan 8.270 nan 0.000 0.450 962 E N 3.488 123.682 120.200 -0.011 0.000 2.182 962 E HA 0.350 4.496 4.350 -0.340 0.000 0.258 962 E C -1.076 175.680 176.600 0.261 0.000 0.879 962 E CA -0.481 55.976 56.400 0.095 0.000 0.754 962 E CB 1.075 30.902 29.700 0.211 0.000 1.162 962 E HN 0.436 nan 8.360 nan 0.000 0.419 963 R N 2.863 123.470 120.500 0.178 0.000 2.764 963 R HA 0.538 4.674 4.340 -0.340 0.000 0.270 963 R C -0.846 175.535 176.300 0.135 0.000 1.014 963 R CA -0.969 55.326 56.100 0.325 0.000 0.904 963 R CB 1.363 31.838 30.300 0.292 0.000 1.236 963 R HN 0.362 nan 8.270 nan 0.000 0.466 964 I N 1.456 122.135 120.570 0.182 0.000 2.378 964 I HA 0.515 4.481 4.170 -0.340 0.000 0.291 964 I C -0.152 176.096 176.117 0.219 0.000 0.992 964 I CA -0.499 60.843 61.300 0.070 0.000 1.154 964 I CB 1.421 39.409 38.000 -0.020 0.000 1.315 964 I HN 0.760 nan 8.210 nan 0.000 0.448 965 A N 7.183 130.061 122.820 0.097 0.000 2.354 965 A HA 0.929 5.045 4.320 -0.340 0.000 0.321 965 A C -1.409 176.258 177.584 0.138 0.000 1.125 965 A CA -0.375 51.618 52.037 -0.073 0.000 0.799 965 A CB 1.716 20.572 19.000 -0.239 0.000 1.293 965 A HN 0.694 nan 8.150 nan 0.000 0.452 966 Y N -1.595 118.643 120.300 -0.104 0.000 2.558 966 Y HA 0.705 5.051 4.550 -0.339 0.000 0.333 966 Y C -0.537 175.309 175.900 -0.089 0.000 1.125 966 Y CA -0.542 57.463 58.100 -0.158 0.000 1.039 966 Y CB 1.061 39.278 38.460 -0.405 0.000 1.331 966 Y HN 0.860 nan 8.280 nan 0.000 0.456 967 T N 0.924 115.494 114.554 0.028 0.000 2.848 967 T HA 0.733 4.879 4.350 -0.340 0.000 0.285 967 T C -1.230 173.533 174.700 0.106 0.000 0.995 967 T CA -0.511 61.565 62.100 -0.040 0.000 0.970 967 T CB 1.303 70.096 68.868 -0.125 0.000 0.976 967 T HN 1.055 nan 8.240 nan 0.000 0.441 971 E N 0.082 120.285 120.200 0.005 0.000 2.386 971 E HA 0.017 4.164 4.350 -0.340 0.000 0.263 971 E C 0.515 177.102 176.600 -0.023 0.000 1.080 971 E CA 1.622 58.020 56.400 -0.005 0.000 0.761 971 E CB -2.838 nan 29.700 nan 0.000 1.311 971 E HN 1.735 nan 8.360 nan 0.000 0.396 972 D N -2.354 118.030 120.400 -0.027 0.000 2.772 972 D HA 0.139 4.575 4.640 -0.340 0.000 0.233 972 D C 0.432 176.698 176.300 -0.057 0.000 1.143 972 D CA 1.470 55.447 54.000 -0.039 0.000 0.700 972 D CB -1.736 nan 40.800 nan 0.000 1.076 972 D HN 1.934 nan 8.370 nan 0.000 0.430 973 L N 0.146 121.323 121.223 -0.077 0.000 2.427 973 L HA 0.530 4.666 4.340 -0.340 0.000 0.264 973 L C -2.193 174.582 176.870 -0.159 0.000 0.989 973 L CA -1.932 52.848 54.840 -0.100 0.000 0.865 973 L CB 2.099 44.106 42.059 -0.086 0.000 1.209 973 L HN 0.150 nan 8.230 nan 0.000 0.430 974 P HA 0.143 nan 4.420 nan 0.000 0.268 974 P C -0.721 176.423 177.300 -0.261 0.000 1.205 974 P CA -0.031 62.944 63.100 -0.209 0.000 0.771 974 P CB 1.109 32.714 31.700 -0.159 0.000 0.858 975 T N 1.149 115.473 114.554 -0.383 0.000 3.031 975 T HA 0.300 4.446 4.350 -0.340 0.000 0.305 975 T C -0.778 173.716 174.700 -0.344 0.000 0.985 975 T CA -0.348 61.527 62.100 -0.375 0.000 1.008 975 T CB 0.251 68.816 68.868 -0.505 0.000 1.005 975 T HN 0.236 nan 8.240 nan 0.000 0.444 976 T N 5.738 120.150 114.554 -0.236 0.000 2.728 976 T HA 0.393 4.539 4.350 -0.340 0.000 0.296 976 T C -0.154 174.362 174.700 -0.307 0.000 0.940 976 T CA -0.597 61.336 62.100 -0.279 0.000 1.013 976 T CB 0.688 69.425 68.868 -0.218 0.000 0.912 976 T HN 0.511 nan 8.240 nan 0.000 0.484 977 E N 2.375 122.244 120.200 -0.552 0.000 2.214 977 E HA 0.383 4.529 4.350 -0.340 0.000 0.274 977 E C -1.046 175.226 176.600 -0.547 0.000 0.977 977 E CA -0.521 55.577 56.400 -0.504 0.000 0.827 977 E CB 1.749 30.992 29.700 -0.762 0.000 1.130 977 E HN 0.567 nan 8.360 nan 0.000 0.394 978 Y N 0.610 120.892 120.300 -0.030 0.000 2.409 978 Y HA 0.446 4.792 4.550 -0.339 0.000 0.343 978 Y C 0.116 176.129 175.900 0.189 0.000 0.973 978 Y CA -0.675 57.486 58.100 0.101 0.000 1.064 978 Y CB 1.498 40.013 38.460 0.091 0.000 1.207 978 Y HN 0.273 nan 8.280 nan 0.000 0.452 979 I N 2.320 123.148 120.570 0.431 0.000 2.378 979 I HA 0.355 4.322 4.170 -0.340 0.000 0.291 979 I C -0.181 176.210 176.117 0.456 0.000 0.992 979 I CA -0.460 61.090 61.300 0.415 0.000 1.154 979 I CB 1.571 39.844 38.000 0.456 0.000 1.315 979 I HN 0.508 nan 8.210 nan 0.000 0.448 980 S N 7.054 122.923 115.700 0.283 0.000 2.632 980 S HA 0.428 4.695 4.470 -0.340 0.000 0.271 980 S C -2.226 172.313 174.600 -0.100 0.000 1.260 980 S CA -0.987 57.312 58.200 0.166 0.000 1.010 980 S CB 1.020 64.263 63.200 0.072 0.000 0.965 980 S HN 0.458 nan 8.310 nan 0.000 0.534 981 P HA 0.153 nan 4.420 nan 0.000 0.274 981 P C -0.796 176.251 177.300 -0.421 0.000 1.231 981 P CA -0.419 62.088 63.100 -0.989 0.000 0.790 981 P CB 0.414 31.484 31.700 -1.050 0.000 0.951 982 N N 0.496 118.979 118.700 -0.362 0.000 2.317 982 N HA 0.019 4.556 4.740 -0.340 0.000 0.245 982 N C 1.193 176.612 175.510 -0.151 0.000 1.294 982 N CA -0.478 52.464 53.050 -0.181 0.000 0.924 982 N CB 0.319 38.727 38.487 -0.132 0.000 1.186 982 N HN 0.438 nan 8.380 nan 0.000 0.495 983 E N 0.035 120.178 120.200 -0.094 0.000 2.396 983 E HA -0.181 3.965 4.350 -0.340 0.000 0.200 983 E C 0.093 176.652 176.600 -0.068 0.000 1.023 983 E CA 0.774 57.131 56.400 -0.072 0.000 0.857 983 E CB -0.106 29.564 29.700 -0.049 0.000 0.775 983 E HN 0.547 nan 8.360 nan 0.000 0.525 984 D N -1.534 118.819 120.400 -0.078 0.000 2.431 984 D HA 0.067 4.504 4.640 -0.340 0.000 0.213 984 D C 1.233 177.493 176.300 -0.068 0.000 1.130 984 D CA 0.527 54.491 54.000 -0.060 0.000 0.834 984 D CB 0.612 41.382 40.800 -0.049 0.000 0.985 984 D HN 0.143 nan 8.370 nan 0.000 0.504 985 G N 0.749 109.480 108.800 -0.115 0.000 2.195 985 G HA2 -0.292 3.464 3.960 -0.340 0.000 0.246 985 G HA3 -0.292 3.464 3.960 -0.340 0.000 0.246 985 G C 0.596 175.405 174.900 -0.152 0.000 0.984 985 G CA 0.526 45.551 45.100 -0.125 0.000 0.633 985 G HN 0.730 nan 8.290 nan 0.000 0.525 986 T N -1.218 113.257 114.554 -0.132 0.000 2.788 986 T HA 0.682 4.828 4.350 -0.340 0.000 0.280 986 T C -0.184 174.416 174.700 -0.167 0.000 0.984 986 T CA -0.273 61.806 62.100 -0.036 0.000 0.972 986 T CB 1.574 70.430 68.868 -0.019 0.000 1.039 986 T HN 0.428 nan 8.240 nan 0.000 0.530 987 F N -0.336 119.606 119.950 -0.014 0.000 2.540 987 F HA 0.452 4.775 4.527 -0.340 0.000 0.317 987 F C 0.435 176.235 175.800 0.000 0.000 1.104 987 F CA -0.872 57.132 58.000 0.007 0.000 0.913 987 F CB 2.345 41.351 39.000 0.011 0.000 1.170 987 F HN 0.564 nan 8.300 nan 0.000 0.450 988 T N 4.903 119.553 114.554 0.160 0.000 2.744 988 T HA 0.553 4.699 4.350 -0.340 0.000 0.291 988 T C -0.243 174.504 174.700 0.079 0.000 0.957 988 T CA -0.470 61.685 62.100 0.093 0.000 1.002 988 T CB 0.318 69.214 68.868 0.047 0.000 0.919 988 T HN 0.291 nan 8.240 nan 0.000 0.468 989 L N 6.628 127.866 121.223 0.025 0.000 2.282 989 L HA 0.438 4.575 4.340 -0.340 0.000 0.288 989 L C -1.905 174.912 176.870 -0.089 0.000 1.033 989 L CA -2.326 52.382 54.840 -0.221 0.000 0.807 989 L CB 1.244 42.885 42.059 -0.698 0.000 1.209 989 L HN 0.342 nan 8.230 nan 0.000 0.423 990 P HA 0.114 nan 4.420 nan 0.000 0.274 990 P C -0.270 177.051 177.300 0.034 0.000 1.237 990 P CA -0.298 62.807 63.100 0.009 0.000 0.793 990 P CB 1.430 33.130 31.700 -0.002 0.000 0.977 991 E N -0.215 120.000 120.200 0.025 0.000 2.340 991 E HA -0.007 4.139 4.350 -0.340 0.000 0.194 991 E C 0.478 177.073 176.600 -0.009 0.000 0.996 991 E CA 0.503 56.922 56.400 0.031 0.000 0.869 991 E CB 0.475 30.193 29.700 0.031 0.000 0.835 991 E HN 0.620 nan 8.360 nan 0.000 0.493 992 E N -0.796 119.378 120.200 -0.043 0.000 2.445 992 E HA 0.698 4.845 4.350 -0.340 0.000 0.279 992 E C -1.481 175.041 176.600 -0.131 0.000 1.018 992 E CA -1.174 55.177 56.400 -0.081 0.000 0.816 992 E CB 1.645 31.315 29.700 -0.050 0.000 1.356 992 E HN -0.031 nan 8.360 nan 0.000 0.462 993 A N 1.025 123.725 122.820 -0.200 0.000 2.414 993 A HA 0.630 4.746 4.320 -0.340 0.000 0.306 993 A C -1.217 176.203 177.584 -0.274 0.000 1.054 993 A CA -0.705 51.127 52.037 -0.341 0.000 0.724 993 A CB 1.831 20.363 19.000 -0.781 0.000 1.267 993 A HN 0.529 nan 8.150 nan 0.000 0.418 994 E N 0.715 120.798 120.200 -0.195 0.000 2.204 994 E HA 0.565 4.712 4.350 -0.340 0.000 0.276 994 E C 0.586 177.192 176.600 0.010 0.000 0.974 994 E CA -0.011 56.349 56.400 -0.067 0.000 0.815 994 E CB 1.447 31.135 29.700 -0.020 0.000 1.119 994 E HN 0.791 nan 8.360 nan 0.000 0.393 998 G N 0.475 109.295 108.800 0.033 0.000 2.136 998 G HA2 -0.155 3.601 3.960 -0.340 0.000 0.242 998 G HA3 -0.155 3.601 3.960 -0.340 0.000 0.242 998 G C 0.450 175.363 174.900 0.022 0.000 0.989 998 G CA 0.234 45.349 45.100 0.025 0.000 0.682 998 G HN 0.661 nan 8.290 nan 0.000 0.522 999 A N -0.332 122.505 122.820 0.028 0.000 2.293 999 A HA 0.813 4.929 4.320 -0.340 0.000 0.302 999 A C 0.514 178.108 177.584 0.016 0.000 1.119 999 A CA 0.576 52.627 52.037 0.024 0.000 0.823 999 A CB 0.819 19.838 19.000 0.033 0.000 1.097 999 A HN 0.703 nan 8.150 nan 0.000 0.491 1000 T N 1.550 116.109 114.554 0.007 0.000 2.749 1000 T HA 0.466 4.613 4.350 -0.340 0.000 0.287 1000 T C -0.455 174.240 174.700 -0.007 0.000 0.970 1000 T CA -0.190 61.905 62.100 -0.008 0.000 0.980 1000 T CB 0.835 69.698 68.868 -0.008 0.000 0.924 1000 T HN 0.384 nan 8.240 nan 0.000 0.456 1001 V N 7.555 127.452 119.914 -0.029 0.000 2.311 1001 V HA 0.317 4.233 4.120 -0.340 0.000 0.275 1001 V C -1.930 174.137 176.094 -0.045 0.000 1.022 1001 V CA -2.107 60.183 62.300 -0.016 0.000 0.830 1001 V CB 0.862 32.693 31.823 0.014 0.000 1.012 1001 V HN 0.713 nan 8.190 nan 0.000 0.452 1002 P HA 0.243 nan 4.420 nan 0.000 0.271 1002 P C -0.945 176.325 177.300 -0.050 0.000 1.216 1002 P CA -0.058 63.023 63.100 -0.031 0.000 0.776 1002 P CB 1.359 33.051 31.700 -0.013 0.000 0.881 1003 L N 3.175 124.365 121.223 -0.054 0.000 2.362 1003 L HA 0.482 4.619 4.340 -0.340 0.000 0.275 1003 L C 0.883 177.758 176.870 0.009 0.000 0.998 1003 L CA -0.676 54.108 54.840 -0.092 0.000 0.820 1003 L CB 1.877 43.837 42.059 -0.165 0.000 1.270 1003 L HN 0.428 nan 8.230 nan 0.000 0.415 1007 D N 0.896 121.217 120.400 -0.132 0.000 2.346 1007 D HA 0.330 4.767 4.640 -0.340 0.000 0.206 1007 D C -0.283 175.782 176.300 -0.392 0.000 1.001 1007 D CA 0.466 54.278 54.000 -0.314 0.000 0.871 1007 D CB 0.106 40.577 40.800 -0.549 0.000 0.943 1007 D HN 0.428 nan 8.370 nan 0.000 0.518 1008 F N 0.666 120.617 119.950 0.002 0.000 2.397 1008 F HA 0.379 4.702 4.527 -0.340 0.000 0.331 1008 F C 0.752 176.541 175.800 -0.019 0.000 1.090 1008 F CA -0.342 57.662 58.000 0.007 0.000 1.065 1008 F CB 1.655 40.614 39.000 -0.069 0.000 1.184 1008 F HN -0.460 nan 8.300 nan 0.000 0.499 1009 T N 1.703 116.331 114.554 0.124 0.000 2.921 1009 T HA 0.193 4.340 4.350 -0.340 0.000 0.297 1009 T C -1.701 172.926 174.700 -0.122 0.000 1.013 1009 T CA -0.557 61.504 62.100 -0.066 0.000 0.990 1009 T CB 0.853 69.528 68.868 -0.321 0.000 1.023 1009 T HN 0.364 nan 8.240 nan 0.000 0.447 1010 Y N 3.892 124.041 120.300 -0.252 0.000 2.365 1010 Y HA 0.565 4.912 4.550 -0.339 0.000 0.340 1010 Y C -0.909 174.815 175.900 -0.293 0.000 1.016 1010 Y CA -0.988 56.935 58.100 -0.294 0.000 1.196 1010 Y CB 0.427 38.733 38.460 -0.257 0.000 1.167 1010 Y HN 0.377 nan 8.280 nan 0.000 0.509 1011 V N 7.450 127.035 119.914 -0.549 0.000 2.444 1011 V HA 0.466 4.383 4.120 -0.340 0.000 0.294 1011 V C -0.833 174.961 176.094 -0.500 0.000 1.022 1011 V CA -0.971 61.010 62.300 -0.531 0.000 0.850 1011 V CB 1.461 32.972 31.823 -0.520 0.000 0.992 1011 V HN 0.561 nan 8.190 nan 0.000 0.426 1012 V N 4.187 123.834 119.914 -0.446 0.000 2.495 1012 V HA 0.596 4.512 4.120 -0.340 0.000 0.298 1012 V C -0.306 175.710 176.094 -0.130 0.000 1.031 1012 V CA -0.473 61.644 62.300 -0.305 0.000 0.871 1012 V CB 1.889 33.514 31.823 -0.331 0.000 0.988 1012 V HN 0.969 nan 8.190 nan 0.000 0.432 1013 E N 2.731 122.889 120.200 -0.069 0.000 2.292 1013 E HA 0.470 4.616 4.350 -0.340 0.000 0.272 1013 E C -1.567 175.092 176.600 0.099 0.000 0.881 1013 E CA -0.645 55.773 56.400 0.030 0.000 0.754 1013 E CB 2.145 31.865 29.700 0.033 0.000 1.201 1013 E HN 0.905 nan 8.360 nan 0.000 0.425 1017 G N -0.008 108.850 108.800 0.097 0.000 2.176 1017 G HA2 -0.240 3.516 3.960 -0.340 0.000 0.232 1017 G HA3 -0.240 3.516 3.960 -0.340 0.000 0.232 1017 G C -0.106 174.849 174.900 0.092 0.000 0.986 1017 G CA 0.188 45.351 45.100 0.105 0.000 0.643 1017 G HN 0.728 nan 8.290 nan 0.000 0.522 1018 N N 0.145 118.891 118.700 0.077 0.000 2.492 1018 N HA 0.571 5.107 4.740 -0.340 0.000 0.262 1018 N C -0.119 175.431 175.510 0.068 0.000 1.202 1018 N CA 0.644 53.730 53.050 0.060 0.000 0.926 1018 N CB 1.150 39.665 38.487 0.046 0.000 1.078 1018 N HN 0.508 nan 8.380 nan 0.000 0.454 1019 I N 0.518 121.129 120.570 0.067 0.000 2.827 1019 I HA 0.392 4.358 4.170 -0.340 0.000 0.298 1019 I C -1.231 174.908 176.117 0.038 0.000 1.235 1019 I CA -0.349 60.995 61.300 0.073 0.000 1.021 1019 I CB 2.160 40.250 38.000 0.151 0.000 1.259 1019 I HN 0.390 nan 8.210 nan 0.000 0.427 1020 T N 5.429 119.966 114.554 -0.029 0.000 2.912 1020 T HA 0.611 4.758 4.350 -0.340 0.000 0.299 1020 T C -1.771 172.837 174.700 -0.154 0.000 1.052 1020 T CA -0.303 61.700 62.100 -0.162 0.000 0.996 1020 T CB 1.381 70.144 68.868 -0.174 0.000 1.070 1020 T HN 0.443 nan 8.240 nan 0.000 0.465 1021 Y N -0.894 119.322 120.300 -0.139 0.000 2.354 1021 Y HA 0.754 5.100 4.550 -0.340 0.000 0.330 1021 Y C -0.611 175.203 175.900 -0.143 0.000 1.011 1021 Y CA -1.069 56.876 58.100 -0.259 0.000 1.099 1021 Y CB 0.993 39.271 38.460 -0.302 0.000 1.179 1021 Y HN 0.434 nan 8.280 nan 0.000 0.442 1022 T N 4.910 119.438 114.554 -0.042 0.000 2.841 1022 T HA 0.436 4.582 4.350 -0.340 0.000 0.285 1022 T C -2.989 171.740 174.700 0.048 0.000 0.991 1022 T CA -1.776 60.335 62.100 0.018 0.000 0.966 1022 T CB 1.839 70.735 68.868 0.047 0.000 0.962 1022 T HN 0.338 nan 8.240 nan 0.000 0.438 1023 P HA 0.075 nan 4.420 nan 0.000 0.265 1023 P C 1.023 178.352 177.300 0.048 0.000 1.193 1023 P CA -0.137 63.002 63.100 0.065 0.000 0.765 1023 P CB 0.560 32.305 31.700 0.075 0.000 0.823 1024 V N 2.821 122.761 119.914 0.043 0.000 2.490 1024 V HA -0.246 3.670 4.120 -0.340 0.000 0.250 1024 V C 2.316 178.407 176.094 -0.006 0.000 1.061 1024 V CA 2.711 65.008 62.300 -0.004 0.000 1.064 1024 V CB -1.670 30.135 31.823 -0.029 0.000 0.670 1024 V HN 0.717 nan 8.190 nan 0.000 0.461 1025 T N -2.547 112.015 114.554 0.013 0.000 2.788 1025 T HA -0.225 3.921 4.350 -0.340 0.000 0.268 1025 T C 1.957 176.672 174.700 0.025 0.000 1.044 1025 T CA 1.089 63.193 62.100 0.006 0.000 1.139 1025 T CB -0.246 68.629 68.868 0.011 0.000 0.867 1025 T HN 0.237 nan 8.240 nan 0.000 0.454 1026 K N 1.225 121.651 120.400 0.043 0.000 2.057 1026 K HA 0.107 4.224 4.320 -0.340 0.000 0.207 1026 K C 2.297 178.971 176.600 0.124 0.000 1.049 1026 K CA 1.030 57.358 56.287 0.068 0.000 0.931 1026 K CB -0.667 31.869 32.500 0.061 0.000 0.714 1026 K HN 0.461 nan 8.250 nan 0.000 0.440 1027 L N 0.587 121.862 121.223 0.086 0.000 2.201 1027 L HA -0.122 4.015 4.340 -0.340 0.000 0.212 1027 L C 2.229 179.207 176.870 0.180 0.000 1.105 1027 L CA 0.665 55.558 54.840 0.088 0.000 0.775 1027 L CB -0.246 41.801 42.059 -0.020 0.000 0.913 1027 L HN 0.087 nan 8.230 nan 0.000 0.440 1028 L N -1.247 120.047 121.223 0.117 0.000 2.307 1028 L HA 0.010 4.146 4.340 -0.340 0.000 0.211 1028 L C 0.780 177.647 176.870 -0.006 0.000 1.099 1028 L CA -0.114 54.782 54.840 0.094 0.000 0.816 1028 L CB -0.243 41.832 42.059 0.027 0.000 0.952 1028 L HN 0.109 nan 8.230 nan 0.000 0.455 1029 E N 2.690 122.850 120.200 -0.066 0.000 3.446 1029 E HA -0.134 4.013 4.350 -0.340 0.000 0.221 1029 E C 0.730 176.902 176.600 -0.713 0.000 1.014 1029 E CA 0.697 56.929 56.400 -0.281 0.000 0.913 1029 E CB -0.753 28.845 29.700 -0.170 0.000 0.913 1029 E HN 0.352 nan 8.360 nan 0.000 0.561 1030 G N 4.455 113.037 108.800 -0.362 0.000 2.816 1030 G HA2 -0.228 3.528 3.960 -0.340 0.000 0.341 1030 G HA3 -0.228 3.528 3.960 -0.340 0.000 0.341 1030 G C 0.009 174.661 174.900 -0.413 0.000 0.171 1030 G CA 0.471 45.399 45.100 -0.286 0.000 1.218 1030 G HN 0.546 nan 8.290 nan 0.000 0.433 1031 H N 0.000 119.072 119.070 0.004 0.000 2.539 1031 H HA 0.000 4.352 4.556 -0.340 0.000 0.296 1031 H CA 0.000 56.049 56.048 0.002 0.000 1.023 1031 H CB 0.000 29.762 29.762 0.000 0.000 1.292 1031 H HN 0.000 nan 8.280 nan 0.000 0.496