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 2j3k_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MTATNKQVIL KDYVSGFPTE SDFDFTTTTV ELRVPEGTNS VLVKNLYLSC DATA SEQUENCE DPYMRIRMGK PDPSTAALAQ AYTPGQPIQG YGVSRIIESG HPDYKKGDLL DATA SEQUENCE WGIVAWEEYS VITPMTHAHF KIQHTDVPLS YYTGLLGMPG MTAYAGFYEV DATA SEQUENCE CSPKEGETVY VSAASGAVGQ LVGQLAKMMG CYVVGSAGSK EKVDLLKTKF DATA SEQUENCE GFDDAFNYKE ESDLTAALKR CFPNGIDIYF ENVGGKMLDA VLVNMNMHGR DATA SEQUENCE IAVCGMISQY NLENQEGVHN LSNIIYKRNR IQGFVVSDFY DKYSKFLEFV DATA SEQUENCE LPHIREGKIT YVEDVADGLE KAPEALVGLF HGKNVGKQVV VVARE 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.254 176.300 -0.077 0.000 1.140 1001 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1001 M CB 0.000 32.579 32.600 -0.036 0.000 1.302 1002 T N 2.319 116.823 114.554 -0.084 0.000 2.895 1002 T HA 0.909 5.259 4.350 -0.001 0.000 0.283 1002 T C -0.374 174.232 174.700 -0.156 0.000 1.014 1002 T CA -0.495 61.537 62.100 -0.114 0.000 1.037 1002 T CB 1.721 70.545 68.868 -0.074 0.000 1.006 1002 T HN 0.674 nan 8.240 nan 0.000 0.468 1003 A N 1.648 124.328 122.820 -0.234 0.000 2.386 1003 A HA 0.706 5.025 4.320 -0.001 0.000 0.311 1003 A C -0.108 177.378 177.584 -0.162 0.000 1.068 1003 A CA -0.840 51.022 52.037 -0.291 0.000 0.743 1003 A CB 1.091 19.642 19.000 -0.748 0.000 1.258 1003 A HN 0.696 nan 8.150 nan 0.000 0.429 1004 T N 2.350 116.860 114.554 -0.073 0.000 3.029 1004 T HA 0.231 4.581 4.350 -0.001 0.000 0.346 1004 T C -0.041 174.684 174.700 0.043 0.000 1.211 1004 T CA -0.348 61.746 62.100 -0.009 0.000 1.009 1004 T CB -0.315 68.557 68.868 0.006 0.000 1.084 1004 T HN 0.626 nan 8.240 nan 0.000 0.536 1005 N N 3.591 122.318 118.700 0.045 0.000 2.558 1005 N HA 0.110 4.850 4.740 -0.001 0.000 0.233 1005 N C -0.148 175.425 175.510 0.106 0.000 1.038 1005 N CA -0.424 52.691 53.050 0.108 0.000 0.934 1005 N CB 0.530 39.072 38.487 0.092 0.000 1.175 1005 N HN 0.438 nan 8.380 nan 0.000 0.512 1006 K N 2.452 122.927 120.400 0.126 0.000 2.326 1006 K HA 0.078 4.398 4.320 -0.001 0.000 0.275 1006 K C -0.571 176.107 176.600 0.130 0.000 1.018 1006 K CA 0.183 56.562 56.287 0.152 0.000 0.962 1006 K CB 0.775 33.386 32.500 0.186 0.000 0.953 1006 K HN 0.546 nan 8.250 nan 0.000 0.475 1007 Q N 1.438 121.306 119.800 0.113 0.000 2.423 1007 Q HA 0.432 4.772 4.340 -0.001 0.000 0.278 1007 Q C -1.604 174.290 176.000 -0.176 0.000 1.097 1007 Q CA -1.078 54.737 55.803 0.019 0.000 0.809 1007 Q CB 2.716 31.463 28.738 0.014 0.000 1.391 1007 Q HN 0.322 nan 8.270 nan 0.000 0.428 1008 V N 2.620 122.422 119.914 -0.187 0.000 2.378 1008 V HA 0.462 4.582 4.120 -0.001 0.000 0.288 1008 V C -0.287 175.751 176.094 -0.095 0.000 1.016 1008 V CA -0.521 61.584 62.300 -0.325 0.000 0.840 1008 V CB 0.980 32.768 31.823 -0.058 0.000 0.994 1008 V HN 0.672 nan 8.190 nan 0.000 0.431 1009 I N 4.234 124.711 120.570 -0.155 0.000 2.664 1009 I HA 0.436 4.605 4.170 -0.001 0.000 0.308 1009 I C -0.483 175.535 176.117 -0.166 0.000 0.984 1009 I CA -0.753 60.465 61.300 -0.137 0.000 1.213 1009 I CB 2.001 39.947 38.000 -0.090 0.000 1.379 1009 I HN 0.447 nan 8.210 nan 0.000 0.501 1010 L N 5.083 126.152 121.223 -0.257 0.000 2.307 1010 L HA 0.327 4.666 4.340 -0.001 0.000 0.284 1010 L C 0.830 177.566 176.870 -0.223 0.000 1.023 1010 L CA 0.007 54.639 54.840 -0.347 0.000 0.810 1010 L CB 1.115 42.931 42.059 -0.404 0.000 1.231 1010 L HN 0.481 nan 8.230 nan 0.000 0.423 1011 K N 1.573 121.869 120.400 -0.173 0.000 1.967 1011 K HA -0.014 4.305 4.320 -0.001 0.000 0.212 1011 K C -0.189 176.309 176.600 -0.169 0.000 1.044 1011 K CA 1.480 57.697 56.287 -0.116 0.000 0.942 1011 K CB 0.036 32.507 32.500 -0.049 0.000 0.726 1011 K HN 0.723 nan 8.250 nan 0.000 0.440 1012 D N -3.284 116.995 120.400 -0.202 0.000 2.639 1012 D HA 0.160 4.799 4.640 -0.001 0.000 0.271 1012 D C -1.332 174.833 176.300 -0.225 0.000 1.254 1012 D CA -0.654 53.165 54.000 -0.303 0.000 0.810 1012 D CB 0.569 41.269 40.800 -0.167 0.000 1.351 1012 D HN -0.035 nan 8.370 nan 0.000 0.427 1013 Y N -0.226 120.041 120.300 -0.055 0.000 2.903 1013 Y HA 0.166 4.715 4.550 -0.001 0.000 0.338 1013 Y C 0.736 176.599 175.900 -0.061 0.000 1.265 1013 Y CA -0.215 57.846 58.100 -0.065 0.000 1.532 1013 Y CB 0.300 38.725 38.460 -0.059 0.000 1.293 1013 Y HN -0.031 nan 8.280 nan 0.000 0.609 1014 V N 3.172 123.157 119.914 0.118 0.000 2.546 1014 V HA 0.232 4.351 4.120 -0.001 0.000 0.284 1014 V C -0.147 175.952 176.094 0.008 0.000 1.050 1014 V CA -0.419 61.903 62.300 0.036 0.000 0.981 1014 V CB 1.464 33.279 31.823 -0.014 0.000 0.990 1014 V HN 0.741 nan 8.190 nan 0.000 0.474 1015 S N 2.995 118.704 115.700 0.014 0.000 2.605 1015 S HA 0.793 5.262 4.470 -0.001 0.000 0.308 1015 S C 0.453 175.063 174.600 0.016 0.000 1.113 1015 S CA 0.181 58.380 58.200 -0.002 0.000 1.049 1015 S CB 1.399 64.608 63.200 0.014 0.000 1.001 1015 S HN 1.557 nan 8.310 nan 0.000 0.480 1016 G N 2.894 111.680 108.800 -0.023 0.000 2.512 1016 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.254 1016 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.254 1016 G C -0.537 174.314 174.900 -0.082 0.000 1.199 1016 G CA -0.528 44.564 45.100 -0.014 0.000 0.941 1016 G HN 0.561 nan 8.290 nan 0.000 0.569 1017 F N 3.004 122.946 119.950 -0.014 0.000 2.459 1017 F HA 0.484 5.011 4.527 -0.001 0.000 0.346 1017 F C -1.168 174.643 175.800 0.019 0.000 1.128 1017 F CA -0.551 57.433 58.000 -0.026 0.000 1.268 1017 F CB 0.797 39.853 39.000 0.093 0.000 1.161 1017 F HN 0.236 nan 8.300 nan 0.000 0.583 1018 P HA 0.287 nan 4.420 nan 0.000 0.277 1018 P C -0.821 176.718 177.300 0.397 0.000 1.240 1018 P CA -0.440 62.862 63.100 0.336 0.000 0.798 1018 P CB 1.081 33.038 31.700 0.428 0.000 0.979 1019 T N -2.756 112.023 114.554 0.375 0.000 2.907 1019 T HA 0.369 4.718 4.350 -0.001 0.000 0.290 1019 T C 0.684 175.566 174.700 0.304 0.000 1.066 1019 T CA -0.719 61.557 62.100 0.293 0.000 1.012 1019 T CB 1.402 70.405 68.868 0.226 0.000 1.184 1019 T HN 0.237 nan 8.240 nan 0.000 0.522 1020 E N 0.161 120.473 120.200 0.187 0.000 2.482 1020 E HA 0.025 4.374 4.350 -0.001 0.000 0.196 1020 E C 1.583 178.334 176.600 0.251 0.000 1.047 1020 E CA 0.332 56.811 56.400 0.131 0.000 0.869 1020 E CB 0.017 29.769 29.700 0.086 0.000 0.836 1020 E HN 0.529 nan 8.360 nan 0.000 0.520 1021 S N 0.534 116.391 115.700 0.262 0.000 2.501 1021 S HA -0.026 4.444 4.470 -0.001 0.000 0.220 1021 S C 1.130 175.875 174.600 0.241 0.000 0.997 1021 S CA 0.247 58.582 58.200 0.225 0.000 0.919 1021 S CB 0.229 63.525 63.200 0.160 0.000 0.778 1021 S HN 0.220 nan 8.310 nan 0.000 0.523 1022 D N 0.336 120.936 120.400 0.333 0.000 2.340 1022 D HA 0.155 4.795 4.640 -0.001 0.000 0.220 1022 D C -0.798 175.513 176.300 0.017 0.000 1.039 1022 D CA 0.462 54.563 54.000 0.168 0.000 0.866 1022 D CB 0.246 41.121 40.800 0.124 0.000 0.913 1022 D HN 0.244 nan 8.370 nan 0.000 0.523 1023 F N 0.224 120.210 119.950 0.060 0.000 2.546 1023 F HA 0.410 4.937 4.527 -0.001 0.000 0.320 1023 F C 0.331 176.170 175.800 0.066 0.000 1.076 1023 F CA -1.159 56.861 58.000 0.034 0.000 0.928 1023 F CB 1.819 40.858 39.000 0.065 0.000 1.189 1023 F HN -0.371 nan 8.300 nan 0.000 0.465 1024 D N 0.176 120.690 120.400 0.190 0.000 2.610 1024 D HA 0.585 5.224 4.640 -0.001 0.000 0.271 1024 D C -1.743 174.570 176.300 0.022 0.000 1.174 1024 D CA -0.442 53.667 54.000 0.182 0.000 0.949 1024 D CB 1.809 42.679 40.800 0.118 0.000 1.430 1024 D HN 0.219 nan 8.370 nan 0.000 0.467 1025 F N 0.280 120.288 119.950 0.096 0.000 2.520 1025 F HA 0.547 5.074 4.527 -0.001 0.000 0.322 1025 F C 0.556 176.390 175.800 0.057 0.000 1.103 1025 F CA -0.315 57.734 58.000 0.081 0.000 0.926 1025 F CB 2.321 41.364 39.000 0.070 0.000 1.154 1025 F HN 0.198 nan 8.300 nan 0.000 0.453 1026 T N -1.557 113.114 114.554 0.195 0.000 2.838 1026 T HA 0.782 5.131 4.350 -0.001 0.000 0.292 1026 T C -0.839 173.946 174.700 0.142 0.000 1.113 1026 T CA -0.878 61.305 62.100 0.138 0.000 1.008 1026 T CB 1.968 70.878 68.868 0.069 0.000 1.259 1026 T HN 0.385 nan 8.240 nan 0.000 0.520 1027 T N 1.184 115.798 114.554 0.099 0.000 2.886 1027 T HA 0.707 5.057 4.350 -0.001 0.000 0.292 1027 T C -0.671 174.060 174.700 0.051 0.000 1.012 1027 T CA -0.527 61.622 62.100 0.080 0.000 0.982 1027 T CB 1.900 70.811 68.868 0.071 0.000 1.018 1027 T HN 0.807 nan 8.240 nan 0.000 0.451 1028 T N 1.290 115.870 114.554 0.043 0.000 2.926 1028 T HA 0.640 4.990 4.350 -0.001 0.000 0.289 1028 T C -0.454 174.249 174.700 0.005 0.000 1.054 1028 T CA -0.486 61.628 62.100 0.023 0.000 1.015 1028 T CB 1.922 70.806 68.868 0.027 0.000 1.167 1028 T HN 0.498 nan 8.240 nan 0.000 0.526 1029 T N 1.641 116.187 114.554 -0.012 0.000 2.779 1029 T HA 0.614 4.963 4.350 -0.001 0.000 0.280 1029 T C -1.016 173.652 174.700 -0.053 0.000 0.987 1029 T CA -0.328 61.749 62.100 -0.038 0.000 0.966 1029 T CB 0.567 69.415 68.868 -0.033 0.000 0.933 1029 T HN 0.279 nan 8.240 nan 0.000 0.442 1030 V N 5.086 124.939 119.914 -0.102 0.000 2.409 1030 V HA 0.373 4.492 4.120 -0.001 0.000 0.291 1030 V C 0.101 176.098 176.094 -0.163 0.000 1.020 1030 V CA -0.875 61.352 62.300 -0.121 0.000 0.848 1030 V CB 1.811 33.552 31.823 -0.137 0.000 0.990 1030 V HN 0.842 nan 8.190 nan 0.000 0.430 1031 E N 3.390 123.528 120.200 -0.103 0.000 2.259 1031 E HA 0.193 4.542 4.350 -0.001 0.000 0.281 1031 E C -0.069 176.479 176.600 -0.087 0.000 1.037 1031 E CA -0.474 55.872 56.400 -0.090 0.000 0.854 1031 E CB 1.256 30.924 29.700 -0.053 0.000 1.051 1031 E HN 0.468 nan 8.360 nan 0.000 0.409 1032 L N 3.497 124.663 121.223 -0.095 0.000 2.713 1032 L HA 0.017 4.356 4.340 -0.001 0.000 0.245 1032 L C 1.124 177.985 176.870 -0.016 0.000 1.169 1032 L CA 0.587 55.392 54.840 -0.059 0.000 0.962 1032 L CB -0.694 41.327 42.059 -0.064 0.000 1.161 1032 L HN 0.293 nan 8.230 nan 0.000 0.427 1033 R N 0.314 120.802 120.500 -0.019 0.000 2.623 1033 R HA 0.078 4.417 4.340 -0.001 0.000 0.271 1033 R C 0.153 176.454 176.300 0.002 0.000 1.043 1033 R CA -0.138 55.957 56.100 -0.009 0.000 1.083 1033 R CB 0.833 31.125 30.300 -0.014 0.000 0.974 1033 R HN 0.071 nan 8.270 nan 0.000 0.436 1034 V N 3.182 123.099 119.914 0.005 0.000 2.220 1034 V HA 0.144 4.264 4.120 -0.001 0.000 0.236 1034 V C -1.941 174.157 176.094 0.007 0.000 1.314 1034 V CA -1.454 60.852 62.300 0.010 0.000 1.349 1034 V CB -0.915 30.914 31.823 0.011 0.000 1.428 1034 V HN 0.606 nan 8.190 nan 0.000 0.495 1035 P HA 0.415 nan 4.420 nan 0.000 0.282 1035 P C -0.420 176.878 177.300 -0.002 0.000 1.262 1035 P CA -0.096 63.004 63.100 -0.000 0.000 0.773 1035 P CB 1.136 32.835 31.700 -0.002 0.000 0.879 1036 E N 1.710 121.907 120.200 -0.005 0.000 2.044 1036 E HA 0.488 4.837 4.350 -0.001 0.000 0.282 1036 E C 0.906 177.500 176.600 -0.009 0.000 1.031 1036 E CA 0.032 56.428 56.400 -0.007 0.000 0.824 1036 E CB 0.667 30.363 29.700 -0.007 0.000 1.076 1036 E HN 0.662 nan 8.360 nan 0.000 0.395 1037 G N 1.717 110.511 108.800 -0.011 0.000 2.524 1037 G HA2 0.304 4.263 3.960 -0.001 0.000 0.172 1037 G HA3 0.304 4.263 3.960 -0.001 0.000 0.172 1037 G C -0.291 174.599 174.900 -0.016 0.000 1.636 1037 G CA -0.096 44.996 45.100 -0.013 0.000 0.732 1037 G HN 0.416 nan 8.290 nan 0.000 0.753 1038 T N 0.552 115.094 114.554 -0.020 0.000 3.880 1038 T HA 0.184 4.533 4.350 -0.001 0.000 0.443 1038 T C -0.419 174.261 174.700 -0.034 0.000 1.266 1038 T CA -0.375 61.707 62.100 -0.031 0.000 1.080 1038 T CB 0.206 69.055 68.868 -0.031 0.000 1.355 1038 T HN 0.562 nan 8.240 nan 0.000 0.440 1039 N N 1.242 119.907 118.700 -0.058 0.000 2.686 1039 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 1039 N C -0.151 175.414 175.510 0.091 0.000 1.082 1039 N CA 1.125 54.129 53.050 -0.077 0.000 0.725 1039 N CB -0.434 37.941 38.487 -0.186 0.000 1.009 1039 N HN 0.723 nan 8.380 nan 0.000 0.545 1040 S N -0.539 115.178 115.700 0.029 0.000 2.462 1040 S HA 0.630 5.100 4.470 -0.001 0.000 0.294 1040 S C 0.226 174.817 174.600 -0.015 0.000 1.144 1040 S CA -0.881 57.314 58.200 -0.008 0.000 1.088 1040 S CB 2.479 65.666 63.200 -0.021 0.000 1.009 1040 S HN 0.222 nan 8.310 nan 0.000 0.484 1041 V N 1.337 121.202 119.914 -0.082 0.000 2.513 1041 V HA 0.664 4.784 4.120 -0.001 0.000 0.299 1041 V C -0.407 175.637 176.094 -0.084 0.000 1.035 1041 V CA -1.105 61.135 62.300 -0.101 0.000 0.889 1041 V CB 1.213 32.897 31.823 -0.233 0.000 0.988 1041 V HN 0.898 nan 8.190 nan 0.000 0.440 1042 L N 6.111 127.316 121.223 -0.030 0.000 2.261 1042 L HA 0.654 4.993 4.340 -0.001 0.000 0.289 1042 L C 0.145 177.025 176.870 0.017 0.000 1.059 1042 L CA -0.109 54.739 54.840 0.014 0.000 0.816 1042 L CB 1.077 43.168 42.059 0.053 0.000 1.191 1042 L HN 0.881 nan 8.230 nan 0.000 0.431 1043 V N 2.063 121.977 119.914 0.000 0.000 3.211 1043 V HA 0.617 4.736 4.120 -0.001 0.000 0.319 1043 V C -0.504 175.564 176.094 -0.044 0.000 1.096 1043 V CA -0.988 61.293 62.300 -0.030 0.000 1.029 1043 V CB 1.676 33.454 31.823 -0.075 0.000 1.137 1043 V HN 0.787 nan 8.190 nan 0.000 0.453 1044 K N 1.466 121.761 120.400 -0.175 0.000 2.579 1044 K HA 0.426 4.746 4.320 -0.001 0.000 0.250 1044 K C -0.670 175.768 176.600 -0.269 0.000 0.952 1044 K CA -0.356 55.655 56.287 -0.460 0.000 0.857 1044 K CB 0.756 32.920 32.500 -0.561 0.000 1.123 1044 K HN 0.920 nan 8.250 nan 0.000 0.433 1045 N N 5.302 123.869 118.700 -0.221 0.000 2.431 1045 N HA 0.054 4.793 4.740 -0.001 0.000 0.265 1045 N C 0.664 176.068 175.510 -0.176 0.000 1.184 1045 N CA -0.171 52.810 53.050 -0.114 0.000 0.943 1045 N CB 0.888 39.342 38.487 -0.054 0.000 1.080 1045 N HN 0.428 nan 8.380 nan 0.000 0.477 1046 L N 1.902 123.030 121.223 -0.158 0.000 2.189 1046 L HA 0.141 4.480 4.340 -0.001 0.000 0.199 1046 L C -0.203 176.345 176.870 -0.537 0.000 1.074 1046 L CA 0.673 55.294 54.840 -0.365 0.000 0.783 1046 L CB -0.042 41.808 42.059 -0.349 0.000 0.955 1046 L HN 0.511 nan 8.230 nan 0.000 0.460 1047 Y N -0.771 119.558 120.300 0.048 0.000 2.536 1047 Y HA 0.644 5.193 4.550 -0.002 0.000 0.347 1047 Y C -0.591 175.363 175.900 0.089 0.000 1.000 1047 Y CA -1.031 57.108 58.100 0.064 0.000 1.051 1047 Y CB 1.730 40.260 38.460 0.117 0.000 1.259 1047 Y HN -0.237 nan 8.280 nan 0.000 0.468 1048 L N 1.477 122.830 121.223 0.216 0.000 2.350 1048 L HA 0.723 5.062 4.340 -0.001 0.000 0.260 1048 L C -0.496 176.509 176.870 0.226 0.000 1.015 1048 L CA -0.776 54.167 54.840 0.171 0.000 0.821 1048 L CB 2.485 44.464 42.059 -0.133 0.000 1.370 1048 L HN 0.750 nan 8.230 nan 0.000 0.416 1049 S N -0.649 115.262 115.700 0.352 0.000 2.536 1049 S HA 0.705 5.174 4.470 -0.001 0.000 0.298 1049 S C -0.931 173.934 174.600 0.441 0.000 1.083 1049 S CA -0.729 57.678 58.200 0.344 0.000 0.995 1049 S CB 1.481 64.889 63.200 0.347 0.000 1.058 1049 S HN 0.539 nan 8.310 nan 0.000 0.488 1050 C N 2.637 122.121 119.300 0.306 0.000 2.258 1050 C HA 0.638 5.098 4.460 -0.001 0.000 0.321 1050 C C -0.581 174.488 174.990 0.133 0.000 1.168 1050 C CA -0.815 58.362 59.018 0.265 0.000 1.531 1050 C CB -1.083 26.775 27.740 0.198 0.000 2.095 1050 C HN 0.799 nan 8.230 nan 0.000 0.449 1051 D N 3.697 124.160 120.400 0.105 0.000 2.362 1051 D HA 0.310 4.949 4.640 -0.001 0.000 0.247 1051 D C -1.953 174.344 176.300 -0.004 0.000 1.050 1051 D CA -1.347 52.692 54.000 0.065 0.000 0.839 1051 D CB 2.255 43.152 40.800 0.162 0.000 1.283 1051 D HN 0.141 nan 8.370 nan 0.000 0.477 1052 P HA -0.051 nan 4.420 nan 0.000 0.239 1052 P C 1.029 178.548 177.300 0.366 0.000 1.184 1052 P CA 0.532 63.805 63.100 0.288 0.000 0.760 1052 P CB -0.231 31.651 31.700 0.303 0.000 0.884 1053 Y N -2.121 118.305 120.300 0.210 0.000 2.352 1053 Y HA -0.065 4.485 4.550 -0.001 0.000 0.292 1053 Y C 2.001 177.870 175.900 -0.052 0.000 1.136 1053 Y CA 0.683 58.791 58.100 0.014 0.000 1.227 1053 Y CB -1.607 36.874 38.460 0.035 0.000 0.991 1053 Y HN -0.188 nan 8.280 nan 0.000 0.545 1054 M N 0.194 119.595 119.600 -0.330 0.000 2.260 1054 M HA -0.207 4.272 4.480 -0.001 0.000 0.261 1054 M C 2.264 178.518 176.300 -0.077 0.000 1.066 1054 M CA 1.832 56.981 55.300 -0.251 0.000 1.082 1054 M CB -0.251 32.217 32.600 -0.221 0.000 1.388 1054 M HN 0.214 nan 8.290 nan 0.000 0.419 1055 R N 1.653 122.154 120.500 0.002 0.000 2.075 1055 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 1055 R C 1.565 177.718 176.300 -0.245 0.000 1.126 1055 R CA 1.308 57.325 56.100 -0.138 0.000 0.963 1055 R CB -0.661 29.496 30.300 -0.238 0.000 0.858 1055 R HN 0.514 nan 8.270 nan 0.000 0.435 1056 I N -1.718 118.661 120.570 -0.317 0.000 3.806 1056 I HA 0.209 4.378 4.170 -0.001 0.000 0.321 1056 I C 0.330 176.277 176.117 -0.283 0.000 1.315 1056 I CA 0.516 61.622 61.300 -0.323 0.000 1.148 1056 I CB -0.196 37.553 38.000 -0.417 0.000 1.028 1056 I HN 0.077 nan 8.210 nan 0.000 0.415 1057 R N -0.100 120.197 120.500 -0.337 0.000 2.335 1057 R HA 0.372 4.711 4.340 -0.001 0.000 0.210 1057 R C 1.725 177.615 176.300 -0.682 0.000 0.892 1057 R CA 0.092 55.846 56.100 -0.576 0.000 1.048 1057 R CB 0.477 30.237 30.300 -0.899 0.000 1.067 1057 R HN 0.342 nan 8.270 nan 0.000 0.524 1058 M N 0.129 119.519 119.600 -0.350 0.000 2.435 1058 M HA 0.085 4.564 4.480 -0.001 0.000 0.265 1058 M C 1.212 177.518 176.300 0.010 0.000 1.104 1058 M CA 0.498 55.748 55.300 -0.084 0.000 1.140 1058 M CB 0.220 32.785 32.600 -0.059 0.000 1.372 1058 M HN 0.081 nan 8.290 nan 0.000 0.456 1059 G N 0.609 109.344 108.800 -0.108 0.000 2.599 1059 G HA2 0.098 4.057 3.960 -0.001 0.000 0.264 1059 G HA3 0.098 4.057 3.960 -0.001 0.000 0.264 1059 G C -0.410 174.288 174.900 -0.338 0.000 1.200 1059 G CA -0.525 44.489 45.100 -0.144 0.000 0.896 1059 G HN 0.135 nan 8.290 nan 0.000 0.536 1060 K N 0.901 121.008 120.400 -0.488 0.000 2.436 1060 K HA 0.072 4.391 4.320 -0.001 0.000 0.275 1060 K C -1.751 174.523 176.600 -0.544 0.000 0.999 1060 K CA -0.964 54.837 56.287 -0.811 0.000 0.980 1060 K CB 0.417 32.634 32.500 -0.471 0.000 0.919 1060 K HN 0.183 nan 8.250 nan 0.000 0.484 1061 P HA -0.075 nan 4.420 nan 0.000 0.247 1061 P C -1.191 175.990 177.300 -0.198 0.000 1.141 1061 P CA 0.622 63.552 63.100 -0.284 0.000 0.858 1061 P CB 0.108 31.676 31.700 -0.220 0.000 0.804 1062 D N 4.025 124.319 120.400 -0.178 0.000 2.481 1062 D HA 0.296 4.936 4.640 -0.001 0.000 0.244 1062 D C -1.626 174.606 176.300 -0.114 0.000 1.057 1062 D CA -1.991 51.927 54.000 -0.136 0.000 0.848 1062 D CB 1.547 42.264 40.800 -0.139 0.000 1.388 1062 D HN 0.031 nan 8.370 nan 0.000 0.475 1063 P HA 0.008 nan 4.420 nan 0.000 0.229 1063 P C 0.713 177.967 177.300 -0.075 0.000 1.160 1063 P CA 0.526 63.580 63.100 -0.077 0.000 0.777 1063 P CB 0.440 32.102 31.700 -0.063 0.000 0.814 1064 S N -0.723 114.928 115.700 -0.081 0.000 2.362 1064 S HA -0.107 4.362 4.470 -0.001 0.000 0.221 1064 S C 1.946 176.492 174.600 -0.091 0.000 1.032 1064 S CA 1.887 60.040 58.200 -0.079 0.000 0.973 1064 S CB -1.277 61.878 63.200 -0.075 0.000 0.849 1064 S HN 0.365 nan 8.310 nan 0.000 0.465 1065 T N 1.403 115.890 114.554 -0.112 0.000 2.821 1065 T HA 0.065 4.414 4.350 -0.001 0.000 0.267 1065 T C 1.572 176.198 174.700 -0.123 0.000 1.046 1065 T CA 0.988 63.006 62.100 -0.136 0.000 1.139 1065 T CB -0.512 68.256 68.868 -0.166 0.000 0.871 1065 T HN 0.308 nan 8.240 nan 0.000 0.454 1066 A N 0.787 123.542 122.820 -0.109 0.000 2.176 1066 A HA 0.665 4.984 4.320 -0.001 0.000 0.214 1066 A C 2.062 179.600 177.584 -0.076 0.000 1.327 1066 A CA 0.619 52.600 52.037 -0.093 0.000 1.015 1066 A CB -1.121 17.828 19.000 -0.086 0.000 0.818 1066 A HN 0.688 nan 8.150 nan 0.000 0.500 1067 A N -0.725 122.048 122.820 -0.079 0.000 2.013 1067 A HA 0.359 4.679 4.320 -0.001 0.000 0.204 1067 A C 1.692 179.234 177.584 -0.070 0.000 1.262 1067 A CA 0.996 52.992 52.037 -0.068 0.000 0.800 1067 A CB -0.136 18.823 19.000 -0.068 0.000 0.909 1067 A HN 0.898 nan 8.150 nan 0.000 0.472 1068 L N -3.250 117.920 121.223 -0.087 0.000 2.577 1068 L HA 0.686 5.025 4.340 -0.001 0.000 0.225 1068 L C 1.097 177.904 176.870 -0.106 0.000 1.053 1068 L CA 0.567 55.347 54.840 -0.099 0.000 0.866 1068 L CB -0.455 41.533 42.059 -0.117 0.000 1.132 1068 L HN 0.091 nan 8.230 nan 0.000 0.486 1069 A N 0.137 122.893 122.820 -0.106 0.000 2.304 1069 A HA 0.599 4.919 4.320 -0.001 0.000 0.271 1069 A C 0.530 178.058 177.584 -0.093 0.000 1.091 1069 A CA -0.137 51.831 52.037 -0.114 0.000 0.812 1069 A CB 0.913 19.822 19.000 -0.151 0.000 1.056 1069 A HN 0.389 nan 8.150 nan 0.000 0.489 1070 Q N -0.033 119.713 119.800 -0.090 0.000 2.245 1070 Q HA 0.523 4.862 4.340 -0.001 0.000 0.250 1070 Q C 0.184 176.151 176.000 -0.055 0.000 0.830 1070 Q CA 0.902 56.672 55.803 -0.055 0.000 0.950 1070 Q CB 0.749 29.475 28.738 -0.019 0.000 1.124 1070 Q HN 1.914 nan 8.270 nan 0.000 0.502 1071 A N 0.146 122.898 122.820 -0.112 0.000 2.435 1071 A HA -0.246 4.074 4.320 -0.001 0.000 0.686 1071 A C -1.017 176.569 177.584 0.002 0.000 0.139 1071 A CA -0.169 51.796 52.037 -0.121 0.000 0.032 1071 A CB -1.445 17.520 19.000 -0.058 0.000 3.974 1071 A HN 0.333 nan 8.150 nan 0.000 0.548 1072 Y N 0.840 121.177 120.300 0.061 0.000 2.359 1072 Y HA 0.327 4.876 4.550 -0.001 0.000 0.330 1072 Y C 1.612 177.520 175.900 0.012 0.000 1.143 1072 Y CA 0.334 58.436 58.100 0.003 0.000 1.318 1072 Y CB 1.088 39.501 38.460 -0.079 0.000 1.234 1072 Y HN 0.739 nan 8.280 nan 0.000 0.522 1073 T N 6.395 121.034 114.554 0.141 0.000 2.752 1073 T HA 0.048 4.397 4.350 -0.001 0.000 0.295 1073 T C -1.525 173.118 174.700 -0.095 0.000 0.923 1073 T CA -1.169 60.944 62.100 0.022 0.000 1.112 1073 T CB 0.824 69.703 68.868 0.018 0.000 0.884 1073 T HN 0.499 nan 8.240 nan 0.000 0.525 1074 P HA -0.183 nan 4.420 nan 0.000 0.220 1074 P C 1.305 178.495 177.300 -0.183 0.000 1.146 1074 P CA 0.989 63.907 63.100 -0.303 0.000 0.816 1074 P CB 0.150 31.622 31.700 -0.380 0.000 0.764 1075 G N -2.086 106.640 108.800 -0.124 0.000 2.651 1075 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.226 1075 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.226 1075 G C 0.301 175.150 174.900 -0.086 0.000 1.542 1075 G CA -0.085 44.962 45.100 -0.088 0.000 0.868 1075 G HN 0.055 nan 8.290 nan 0.000 0.588 1076 Q N 2.077 121.836 119.800 -0.068 0.000 2.311 1076 Q HA 0.195 4.534 4.340 -0.001 0.000 0.272 1076 Q C -1.914 174.031 176.000 -0.091 0.000 1.012 1076 Q CA -1.430 54.338 55.803 -0.059 0.000 0.891 1076 Q CB 1.214 29.932 28.738 -0.033 0.000 1.201 1076 Q HN 0.300 nan 8.270 nan 0.000 0.391 1077 P HA -0.062 nan 4.420 nan 0.000 0.269 1077 P C -0.122 177.008 177.300 -0.283 0.000 1.205 1077 P CA 0.106 63.120 63.100 -0.143 0.000 0.780 1077 P CB 0.581 32.254 31.700 -0.045 0.000 0.858 1078 I N 1.345 121.639 120.570 -0.461 0.000 2.662 1078 I HA -0.074 4.096 4.170 -0.001 0.000 0.285 1078 I C 1.289 177.043 176.117 -0.605 0.000 1.161 1078 I CA 0.721 61.422 61.300 -0.997 0.000 1.415 1078 I CB -0.176 37.149 38.000 -1.124 0.000 1.385 1078 I HN 0.284 nan 8.210 nan 0.000 0.552 1079 Q N 3.949 123.481 119.800 -0.447 0.000 2.306 1079 Q HA 0.772 5.112 4.340 -0.001 0.000 0.241 1079 Q C 0.146 176.191 176.000 0.076 0.000 0.948 1079 Q CA -0.101 55.696 55.803 -0.010 0.000 0.886 1079 Q CB 1.855 30.684 28.738 0.152 0.000 1.227 1079 Q HN 0.828 nan 8.270 nan 0.000 0.457 1080 G N 0.101 109.023 108.800 0.203 0.000 2.387 1080 G HA2 0.222 4.181 3.960 -0.001 0.000 0.294 1080 G HA3 0.222 4.181 3.960 -0.001 0.000 0.294 1080 G C -1.909 173.214 174.900 0.371 0.000 1.509 1080 G CA -0.913 44.394 45.100 0.345 0.000 0.806 1080 G HN 0.417 nan 8.290 nan 0.000 0.546 1081 Y N 0.190 120.792 120.300 0.502 0.000 2.442 1081 Y HA 0.456 5.005 4.550 -0.001 0.000 0.330 1081 Y C 1.200 177.368 175.900 0.447 0.000 1.129 1081 Y CA 1.547 59.933 58.100 0.476 0.000 1.365 1081 Y CB 1.569 40.349 38.460 0.534 0.000 1.233 1081 Y HN 0.926 nan 8.280 nan 0.000 0.529 1082 G N 1.182 110.359 108.800 0.627 0.000 2.519 1082 G HA2 0.393 4.352 3.960 -0.001 0.000 0.292 1082 G HA3 0.393 4.352 3.960 -0.001 0.000 0.292 1082 G C -1.820 173.364 174.900 0.474 0.000 1.507 1082 G CA -1.031 44.366 45.100 0.495 0.000 0.806 1082 G HN 0.463 nan 8.290 nan 0.000 0.523 1083 V N 0.419 120.601 119.914 0.446 0.000 2.924 1083 V HA 0.683 4.802 4.120 -0.001 0.000 0.305 1083 V C 0.540 176.792 176.094 0.263 0.000 1.073 1083 V CA -0.044 62.499 62.300 0.404 0.000 1.098 1083 V CB 1.267 33.378 31.823 0.480 0.000 1.000 1083 V HN 0.862 nan 8.190 nan 0.000 0.484 1084 S N 2.403 118.213 115.700 0.184 0.000 2.584 1084 S HA 0.394 4.864 4.470 -0.001 0.000 0.280 1084 S C -0.698 173.925 174.600 0.038 0.000 1.162 1084 S CA -0.820 57.425 58.200 0.075 0.000 0.951 1084 S CB 1.458 64.688 63.200 0.050 0.000 1.108 1084 S HN 0.784 nan 8.310 nan 0.000 0.464 1085 R N 2.255 122.754 120.500 -0.002 0.000 2.297 1085 R HA 0.503 4.842 4.340 -0.001 0.000 0.308 1085 R C -0.947 175.341 176.300 -0.020 0.000 1.029 1085 R CA -0.601 55.498 56.100 -0.001 0.000 0.929 1085 R CB 0.277 30.571 30.300 -0.010 0.000 1.046 1085 R HN 0.513 nan 8.270 nan 0.000 0.461 1086 I N 5.823 126.392 120.570 -0.002 0.000 2.494 1086 I HA 0.052 4.222 4.170 -0.001 0.000 0.289 1086 I C 0.100 176.231 176.117 0.023 0.000 1.106 1086 I CA 0.428 61.726 61.300 -0.003 0.000 1.369 1086 I CB 0.778 38.787 38.000 0.015 0.000 1.410 1086 I HN 0.533 nan 8.210 nan 0.000 0.523 1087 I N 7.085 127.678 120.570 0.037 0.000 2.620 1087 I HA 0.339 4.508 4.170 -0.001 0.000 0.280 1087 I C -0.583 175.576 176.117 0.069 0.000 1.143 1087 I CA 0.043 61.385 61.300 0.070 0.000 1.163 1087 I CB -0.718 37.355 38.000 0.122 0.000 1.461 1087 I HN 0.659 nan 8.210 nan 0.000 0.530 1088 E N 2.379 122.607 120.200 0.046 0.000 7.553 1088 E HA -0.153 4.196 4.350 -0.001 0.000 0.436 1088 E C -0.989 175.628 176.600 0.028 0.000 0.418 1088 E CA 0.481 56.903 56.400 0.037 0.000 0.779 1088 E CB -0.510 29.210 29.700 0.033 0.000 0.959 1088 E HN 0.511 nan 8.360 nan 0.000 0.263 1089 S N 0.684 116.406 115.700 0.036 0.000 2.607 1089 S HA 0.807 5.276 4.470 -0.001 0.000 0.303 1089 S C 0.475 175.106 174.600 0.052 0.000 1.086 1089 S CA 0.204 58.431 58.200 0.046 0.000 0.995 1089 S CB 1.751 65.000 63.200 0.082 0.000 1.084 1089 S HN 0.715 nan 8.310 nan 0.000 0.507 1090 G N 1.146 109.984 108.800 0.063 0.000 4.110 1090 G HA2 0.263 4.222 3.960 -0.001 0.000 0.292 1090 G HA3 0.263 4.222 3.960 -0.001 0.000 0.292 1090 G C -0.413 174.530 174.900 0.072 0.000 1.020 1090 G CA -0.160 44.971 45.100 0.051 0.000 0.808 1090 G HN 0.722 nan 8.290 nan 0.000 0.474 1091 H N 0.367 119.461 119.070 0.041 0.000 2.573 1091 H HA 0.437 4.992 4.556 -0.001 0.000 0.351 1091 H C -1.038 174.336 175.328 0.077 0.000 1.163 1091 H CA -1.398 54.697 56.048 0.078 0.000 1.205 1091 H CB 3.002 32.864 29.762 0.166 0.000 1.605 1091 H HN -0.067 nan 8.280 nan 0.000 0.525 1092 P HA -0.138 nan 4.420 nan 0.000 0.213 1092 P C 0.317 177.726 177.300 0.181 0.000 1.170 1092 P CA 1.178 64.371 63.100 0.155 0.000 0.893 1092 P CB 0.408 32.148 31.700 0.068 0.000 0.784 1093 D N -1.547 119.011 120.400 0.264 0.000 2.350 1093 D HA -0.077 4.562 4.640 -0.001 0.000 0.216 1093 D C 0.205 176.284 176.300 -0.369 0.000 0.968 1093 D CA 1.030 54.965 54.000 -0.108 0.000 0.894 1093 D CB -0.299 40.334 40.800 -0.280 0.000 0.909 1093 D HN 0.340 nan 8.370 nan 0.000 0.520 1094 Y N -0.358 119.931 120.300 -0.018 0.000 2.442 1094 Y HA 0.487 5.036 4.550 -0.001 0.000 0.344 1094 Y C 0.259 176.161 175.900 0.003 0.000 0.976 1094 Y CA -1.128 56.942 58.100 -0.051 0.000 1.040 1094 Y CB 1.893 40.268 38.460 -0.142 0.000 1.228 1094 Y HN -0.424 nan 8.280 nan 0.000 0.451 1095 K N 0.669 121.162 120.400 0.156 0.000 2.443 1095 K HA 0.443 4.763 4.320 -0.001 0.000 0.251 1095 K C 0.170 176.819 176.600 0.081 0.000 0.972 1095 K CA -1.017 55.328 56.287 0.097 0.000 0.833 1095 K CB 1.407 33.942 32.500 0.059 0.000 1.317 1095 K HN 0.506 nan 8.250 nan 0.000 0.441 1096 K N 0.049 120.485 120.400 0.060 0.000 2.591 1096 K HA -0.218 4.102 4.320 -0.001 0.000 0.197 1096 K C 0.752 177.378 176.600 0.043 0.000 1.048 1096 K CA 1.689 58.004 56.287 0.047 0.000 0.926 1096 K CB -0.140 32.383 32.500 0.039 0.000 0.769 1096 K HN 0.699 nan 8.250 nan 0.000 0.503 1097 G N -0.270 108.557 108.800 0.045 0.000 3.040 1097 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.214 1097 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.214 1097 G C -0.463 174.464 174.900 0.045 0.000 1.093 1097 G CA -0.432 44.691 45.100 0.039 0.000 0.931 1097 G HN 0.078 nan 8.290 nan 0.000 0.632 1098 D N 0.908 121.346 120.400 0.063 0.000 2.382 1098 D HA 0.448 5.087 4.640 -0.001 0.000 0.240 1098 D C 0.060 176.417 176.300 0.094 0.000 1.146 1098 D CA 0.355 54.404 54.000 0.082 0.000 0.897 1098 D CB 1.812 42.688 40.800 0.126 0.000 1.197 1098 D HN 0.018 nan 8.370 nan 0.000 0.432 1099 L N 1.045 122.321 121.223 0.088 0.000 2.333 1099 L HA 0.601 4.941 4.340 -0.001 0.000 0.269 1099 L C -0.363 176.581 176.870 0.124 0.000 1.010 1099 L CA -0.823 54.065 54.840 0.081 0.000 0.818 1099 L CB 1.567 43.652 42.059 0.044 0.000 1.306 1099 L HN 0.181 nan 8.230 nan 0.000 0.430 1100 L N 2.314 123.613 121.223 0.127 0.000 2.401 1100 L HA 0.661 5.000 4.340 -0.001 0.000 0.266 1100 L C -1.622 175.392 176.870 0.240 0.000 0.991 1100 L CA -0.354 54.585 54.840 0.165 0.000 0.818 1100 L CB 1.957 44.035 42.059 0.033 0.000 1.321 1100 L HN 0.783 nan 8.230 nan 0.000 0.413 1101 W N 4.812 126.225 121.300 0.189 0.000 2.761 1101 W HA 0.884 5.544 4.660 -0.001 0.000 0.340 1101 W C -0.615 176.120 176.519 0.360 0.000 1.072 1101 W CA -0.377 57.123 57.345 0.259 0.000 1.215 1101 W CB 1.281 30.893 29.460 0.253 0.000 1.420 1101 W HN 0.869 nan 8.180 nan 0.000 0.519 1102 G N 1.449 110.501 108.800 0.420 0.000 2.343 1102 G HA2 0.207 4.166 3.960 -0.001 0.000 0.289 1102 G HA3 0.207 4.166 3.960 -0.001 0.000 0.289 1102 G C -2.272 172.693 174.900 0.109 0.000 1.295 1102 G CA -1.164 44.009 45.100 0.121 0.000 0.869 1102 G HN 0.766 nan 8.290 nan 0.000 0.522 1103 I N 1.842 122.188 120.570 -0.374 0.000 2.256 1103 I HA 0.464 4.633 4.170 -0.001 0.000 0.294 1103 I C 0.619 176.802 176.117 0.111 0.000 1.127 1103 I CA -0.574 60.585 61.300 -0.234 0.000 1.247 1103 I CB 0.148 37.807 38.000 -0.569 0.000 1.460 1103 I HN 0.568 nan 8.210 nan 0.000 0.511 1104 V N 4.382 124.402 119.914 0.176 0.000 2.966 1104 V HA 0.867 4.986 4.120 -0.001 0.000 0.317 1104 V C 0.534 176.743 176.094 0.191 0.000 1.070 1104 V CA -0.738 61.673 62.300 0.186 0.000 1.008 1104 V CB 1.243 33.178 31.823 0.187 0.000 1.070 1104 V HN 0.622 nan 8.190 nan 0.000 0.457 1105 A N 1.258 124.173 122.820 0.159 0.000 2.271 1105 A HA 0.557 4.876 4.320 -0.001 0.000 0.288 1105 A C -0.531 177.227 177.584 0.291 0.000 1.094 1105 A CA -0.523 51.618 52.037 0.174 0.000 0.828 1105 A CB 0.229 19.284 19.000 0.092 0.000 1.091 1105 A HN 0.907 nan 8.150 nan 0.000 0.493 1106 W N 1.888 123.173 121.300 -0.025 0.000 1.303 1106 W HA 0.282 4.942 4.660 -0.000 0.000 0.478 1106 W C 0.477 176.981 176.519 -0.025 0.000 0.604 1106 W CA -0.175 57.160 57.345 -0.018 0.000 2.319 1106 W CB -0.535 28.898 29.460 -0.044 0.000 1.443 1106 W HN 0.728 nan 8.180 nan 0.000 0.249 1107 E N -1.498 118.772 120.200 0.115 0.000 2.404 1107 E HA 0.341 4.690 4.350 -0.001 0.000 0.264 1107 E C 0.311 176.935 176.600 0.041 0.000 0.946 1107 E CA -0.778 55.669 56.400 0.078 0.000 0.806 1107 E CB 1.465 31.223 29.700 0.096 0.000 1.334 1107 E HN 0.030 nan 8.360 nan 0.000 0.429 1108 E N -0.481 119.762 120.200 0.073 0.000 2.170 1108 E HA 0.017 4.366 4.350 -0.001 0.000 0.191 1108 E C -0.401 176.142 176.600 -0.094 0.000 0.981 1108 E CA 0.925 57.338 56.400 0.022 0.000 0.830 1108 E CB 0.243 30.039 29.700 0.160 0.000 0.775 1108 E HN 0.324 nan 8.360 nan 0.000 0.470 1109 Y N -0.643 119.661 120.300 0.007 0.000 2.470 1109 Y HA 0.270 4.820 4.550 -0.001 0.000 0.341 1109 Y C -0.550 175.354 175.900 0.006 0.000 1.021 1109 Y CA -0.732 57.369 58.100 0.002 0.000 1.025 1109 Y CB 2.403 40.862 38.460 -0.001 0.000 1.266 1109 Y HN -0.284 nan 8.280 nan 0.000 0.448 1110 S N 1.541 117.324 115.700 0.138 0.000 2.540 1110 S HA 0.617 5.087 4.470 -0.001 0.000 0.275 1110 S C -1.334 173.289 174.600 0.039 0.000 1.123 1110 S CA -0.933 57.313 58.200 0.077 0.000 0.907 1110 S CB 1.816 65.048 63.200 0.053 0.000 1.081 1110 S HN 0.303 nan 8.310 nan 0.000 0.476 1111 V N 3.499 123.425 119.914 0.020 0.000 2.304 1111 V HA 0.478 4.597 4.120 -0.001 0.000 0.269 1111 V C -0.097 175.979 176.094 -0.030 0.000 1.036 1111 V CA -0.582 61.712 62.300 -0.010 0.000 0.840 1111 V CB -0.420 31.400 31.823 -0.005 0.000 1.036 1111 V HN 0.807 nan 8.190 nan 0.000 0.466 1112 I N 1.376 121.898 120.570 -0.080 0.000 2.750 1112 I HA 0.793 4.962 4.170 -0.001 0.000 0.308 1112 I C 0.093 176.110 176.117 -0.167 0.000 1.016 1112 I CA -0.425 60.799 61.300 -0.127 0.000 1.098 1112 I CB 2.130 39.994 38.000 -0.226 0.000 1.279 1112 I HN 0.290 nan 8.210 nan 0.000 0.454 1113 T N 3.952 118.419 114.554 -0.145 0.000 2.772 1113 T HA 0.441 4.791 4.350 -0.001 0.000 0.288 1113 T C -2.511 172.086 174.700 -0.172 0.000 0.994 1113 T CA -1.007 61.032 62.100 -0.102 0.000 0.951 1113 T CB 1.144 69.996 68.868 -0.026 0.000 0.933 1113 T HN 0.432 nan 8.240 nan 0.000 0.447 1114 P HA 0.291 nan 4.420 nan 0.000 0.276 1114 P C -0.575 176.764 177.300 0.065 0.000 1.243 1114 P CA -0.287 62.717 63.100 -0.160 0.000 0.768 1114 P CB 0.456 31.958 31.700 -0.330 0.000 0.856 1115 M N 2.100 121.748 119.600 0.081 0.000 2.393 1115 M HA 0.186 4.665 4.480 -0.001 0.000 0.316 1115 M C 1.394 177.647 176.300 -0.079 0.000 1.087 1115 M CA -0.414 54.904 55.300 0.029 0.000 0.937 1115 M CB 1.647 34.269 32.600 0.037 0.000 1.668 1115 M HN 0.284 nan 8.290 nan 0.000 0.438 1116 T N -0.792 113.726 114.554 -0.060 0.000 2.737 1116 T HA -0.158 4.191 4.350 -0.001 0.000 0.269 1116 T C 0.846 175.432 174.700 -0.189 0.000 1.040 1116 T CA 1.660 63.710 62.100 -0.083 0.000 1.142 1116 T CB -0.320 68.621 68.868 0.121 0.000 0.861 1116 T HN 0.604 nan 8.240 nan 0.000 0.456 1117 H N 0.210 119.121 119.070 -0.265 0.000 2.490 1117 H HA 0.786 5.341 4.556 -0.001 0.000 0.285 1117 H C 1.069 176.342 175.328 -0.092 0.000 1.127 1117 H CA -0.529 55.474 56.048 -0.076 0.000 0.993 1117 H CB 0.044 29.966 29.762 0.267 0.000 1.653 1117 H HN 0.469 nan 8.280 nan 0.000 0.557 1118 A N -0.771 121.813 122.820 -0.394 0.000 1.704 1118 A HA 0.164 4.483 4.320 -0.001 0.000 0.211 1118 A C -0.077 177.058 177.584 -0.749 0.000 1.792 1118 A CA 0.004 51.811 52.037 -0.384 0.000 1.264 1118 A CB 0.817 19.613 19.000 -0.339 0.000 1.235 1118 A HN 0.287 nan 8.150 nan 0.000 0.440 1119 H N -0.904 117.766 119.070 -0.667 0.000 2.609 1119 H HA 0.589 5.144 4.556 -0.001 0.000 0.344 1119 H C -1.902 172.982 175.328 -0.740 0.000 1.040 1119 H CA -0.418 55.295 56.048 -0.559 0.000 1.216 1119 H CB 1.169 30.736 29.762 -0.325 0.000 1.529 1119 H HN 0.279 nan 8.280 nan 0.000 0.519 1120 F N 1.234 120.919 119.950 -0.442 0.000 2.540 1120 F HA 0.311 4.838 4.527 -0.001 0.000 0.317 1120 F C 0.548 176.274 175.800 -0.122 0.000 1.104 1120 F CA -0.859 56.905 58.000 -0.393 0.000 0.913 1120 F CB 2.032 40.531 39.000 -0.836 0.000 1.170 1120 F HN 0.195 nan 8.300 nan 0.000 0.450 1121 K N 2.841 123.383 120.400 0.237 0.000 2.185 1121 K HA 0.593 4.912 4.320 -0.001 0.000 0.271 1121 K C -0.901 175.831 176.600 0.220 0.000 1.013 1121 K CA -0.392 56.007 56.287 0.187 0.000 0.943 1121 K CB 0.806 33.288 32.500 -0.030 0.000 0.998 1121 K HN 0.625 nan 8.250 nan 0.000 0.468 1122 I N 4.271 124.901 120.570 0.099 0.000 2.330 1122 I HA 0.102 4.271 4.170 -0.001 0.000 0.289 1122 I C -0.435 175.677 176.117 -0.010 0.000 1.001 1122 I CA -0.420 60.872 61.300 -0.013 0.000 1.193 1122 I CB 1.475 39.329 38.000 -0.244 0.000 1.345 1122 I HN 0.582 nan 8.210 nan 0.000 0.461 1123 Q N 5.315 125.095 119.800 -0.033 0.000 2.141 1123 Q HA 0.382 4.721 4.340 -0.001 0.000 0.295 1123 Q C -0.786 174.983 176.000 -0.386 0.000 0.870 1123 Q CA -0.313 55.399 55.803 -0.151 0.000 1.096 1123 Q CB 0.140 28.779 28.738 -0.165 0.000 1.288 1123 Q HN 0.456 nan 8.270 nan 0.000 0.418 1124 H N 0.329 119.465 119.070 0.110 0.000 3.239 1124 H HA 0.498 5.054 4.556 -0.001 0.000 0.320 1124 H C -1.203 174.219 175.328 0.156 0.000 1.074 1124 H CA -0.284 55.840 56.048 0.127 0.000 1.553 1124 H CB 1.784 31.638 29.762 0.154 0.000 1.752 1124 H HN 0.132 nan 8.280 nan 0.000 0.513 1125 T N 2.905 117.578 114.554 0.198 0.000 2.934 1125 T HA 0.318 4.667 4.350 -0.001 0.000 0.328 1125 T C -0.097 174.657 174.700 0.090 0.000 1.068 1125 T CA -0.433 61.749 62.100 0.137 0.000 1.018 1125 T CB 0.135 69.058 68.868 0.091 0.000 1.009 1125 T HN 0.738 nan 8.240 nan 0.000 0.471 1126 D N 2.705 123.144 120.400 0.065 0.000 2.058 1126 D HA 0.032 4.671 4.640 -0.001 0.000 0.537 1126 D C 0.281 176.554 176.300 -0.045 0.000 0.886 1126 D CA 0.151 54.156 54.000 0.009 0.000 1.044 1126 D CB -0.283 40.519 40.800 0.003 0.000 1.478 1126 D HN 0.504 nan 8.370 nan 0.000 0.480 1127 V N -0.709 119.170 119.914 -0.058 0.000 2.769 1127 V HA 0.775 4.894 4.120 -0.001 0.000 0.312 1127 V C -2.688 173.254 176.094 -0.252 0.000 1.058 1127 V CA -2.051 60.136 62.300 -0.187 0.000 0.952 1127 V CB 1.220 32.929 31.823 -0.191 0.000 1.019 1127 V HN -0.276 nan 8.190 nan 0.000 0.445 1128 P HA 0.168 nan 4.420 nan 0.000 0.266 1128 P C 0.442 177.619 177.300 -0.206 0.000 1.195 1128 P CA -0.161 62.670 63.100 -0.447 0.000 0.768 1128 P CB 0.621 31.887 31.700 -0.722 0.000 0.838 1129 L N 3.126 124.315 121.223 -0.057 0.000 2.141 1129 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 1129 L C 2.131 178.928 176.870 -0.123 0.000 1.094 1129 L CA 1.943 56.852 54.840 0.116 0.000 0.763 1129 L CB -1.261 40.908 42.059 0.183 0.000 0.908 1129 L HN 0.425 nan 8.230 nan 0.000 0.437 1130 S N -2.031 113.285 115.700 -0.639 0.000 2.493 1130 S HA -0.216 4.253 4.470 -0.001 0.000 0.243 1130 S C 1.761 176.382 174.600 0.035 0.000 0.991 1130 S CA 0.823 58.675 58.200 -0.580 0.000 0.957 1130 S CB -0.744 62.146 63.200 -0.517 0.000 0.756 1130 S HN 0.416 nan 8.310 nan 0.000 0.521 1131 Y N 0.188 120.405 120.300 -0.139 0.000 2.523 1131 Y HA 0.299 4.848 4.550 -0.001 0.000 0.279 1131 Y C 1.014 176.726 175.900 -0.314 0.000 1.139 1131 Y CA -1.008 56.965 58.100 -0.211 0.000 1.296 1131 Y CB -0.767 37.474 38.460 -0.364 0.000 1.045 1131 Y HN 0.377 nan 8.280 nan 0.000 0.538 1132 Y N -0.290 119.992 120.300 -0.031 0.000 2.462 1132 Y HA -0.018 4.531 4.550 -0.001 0.000 0.293 1132 Y C 2.140 177.885 175.900 -0.259 0.000 1.195 1132 Y CA 0.756 58.714 58.100 -0.237 0.000 1.276 1132 Y CB -0.147 38.279 38.460 -0.058 0.000 1.082 1132 Y HN 0.122 nan 8.280 nan 0.000 0.514 1133 T N -4.741 109.847 114.554 0.057 0.000 3.021 1133 T HA 0.237 4.587 4.350 -0.001 0.000 0.245 1133 T C 1.710 176.402 174.700 -0.013 0.000 1.028 1133 T CA 0.728 62.897 62.100 0.114 0.000 1.139 1133 T CB -0.304 68.693 68.868 0.215 0.000 0.884 1133 T HN 0.229 nan 8.240 nan 0.000 0.457 1134 G N 1.551 110.331 108.800 -0.034 0.000 2.754 1134 G HA2 0.375 4.334 3.960 -0.001 0.000 0.210 1134 G HA3 0.375 4.334 3.960 -0.001 0.000 0.210 1134 G C 1.079 175.829 174.900 -0.249 0.000 2.092 1134 G CA 0.209 45.288 45.100 -0.035 0.000 0.766 1134 G HN 0.317 nan 8.290 nan 0.000 0.745 1135 L N 0.418 121.277 121.223 -0.606 0.000 2.021 1135 L HA 0.062 4.401 4.340 -0.001 0.000 0.215 1135 L C 2.107 178.819 176.870 -0.264 0.000 1.074 1135 L CA 1.775 56.195 54.840 -0.700 0.000 0.760 1135 L CB -0.470 40.729 42.059 -1.433 0.000 0.889 1135 L HN 0.258 nan 8.230 nan 0.000 0.433 1136 L N -0.960 120.052 121.223 -0.352 0.000 2.741 1136 L HA 0.364 4.703 4.340 -0.001 0.000 0.237 1136 L C 0.963 177.719 176.870 -0.189 0.000 1.178 1136 L CA 0.010 54.687 54.840 -0.271 0.000 0.973 1136 L CB -0.350 41.235 42.059 -0.790 0.000 1.255 1136 L HN 0.385 nan 8.230 nan 0.000 0.498 1137 G N -1.265 107.300 108.800 -0.392 0.000 3.291 1137 G HA2 0.171 4.130 3.960 -0.001 0.000 0.173 1137 G HA3 0.171 4.130 3.960 -0.001 0.000 0.173 1137 G C 0.419 174.905 174.900 -0.690 0.000 1.099 1137 G CA -0.305 44.135 45.100 -1.100 0.000 0.794 1137 G HN -0.201 nan 8.290 nan 0.000 0.651 1138 M N 0.423 119.618 119.600 -0.675 0.000 2.160 1138 M HA 0.117 4.596 4.480 -0.001 0.000 0.264 1138 M C -0.599 175.604 176.300 -0.161 0.000 1.073 1138 M CA 1.210 56.343 55.300 -0.278 0.000 1.142 1138 M CB -1.249 31.119 32.600 -0.387 0.000 1.358 1138 M HN 0.088 nan 8.290 nan 0.000 0.422 1139 P HA -0.111 nan 4.420 nan 0.000 0.216 1139 P C 1.288 178.528 177.300 -0.100 0.000 1.153 1139 P CA 2.206 65.276 63.100 -0.050 0.000 0.858 1139 P CB -0.452 31.251 31.700 0.004 0.000 0.789 1140 G N -1.319 107.384 108.800 -0.162 0.000 2.443 1140 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 1140 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 1140 G C 1.457 176.063 174.900 -0.490 0.000 1.131 1140 G CA 0.709 45.710 45.100 -0.164 0.000 0.775 1140 G HN 0.173 nan 8.290 nan 0.000 0.547 1141 M N 1.285 120.488 119.600 -0.661 0.000 2.200 1141 M HA 0.053 4.532 4.480 -0.001 0.000 0.265 1141 M C 2.523 178.661 176.300 -0.270 0.000 1.066 1141 M CA 1.532 56.413 55.300 -0.699 0.000 1.127 1141 M CB -0.878 31.565 32.600 -0.261 0.000 1.379 1141 M HN 0.130 nan 8.290 nan 0.000 0.420 1142 T N 0.454 114.941 114.554 -0.110 0.000 2.746 1142 T HA -0.083 4.266 4.350 -0.001 0.000 0.267 1142 T C 1.848 176.581 174.700 0.055 0.000 1.039 1142 T CA 1.604 63.754 62.100 0.083 0.000 1.142 1142 T CB -0.738 68.240 68.868 0.183 0.000 0.866 1142 T HN 0.504 nan 8.240 nan 0.000 0.444 1143 A N 0.512 123.294 122.820 -0.064 0.000 1.898 1143 A HA -0.056 4.263 4.320 -0.001 0.000 0.216 1143 A C 2.128 179.607 177.584 -0.176 0.000 1.181 1143 A CA 1.436 53.358 52.037 -0.192 0.000 0.620 1143 A CB -0.994 17.888 19.000 -0.197 0.000 0.819 1143 A HN 0.558 nan 8.150 nan 0.000 0.442 1144 Y N 0.539 120.703 120.300 -0.227 0.000 2.133 1144 Y HA -0.034 4.515 4.550 -0.001 0.000 0.287 1144 Y C 2.680 178.444 175.900 -0.226 0.000 1.134 1144 Y CA 1.351 59.370 58.100 -0.134 0.000 1.133 1144 Y CB -0.619 37.814 38.460 -0.045 0.000 0.987 1144 Y HN 0.303 nan 8.280 nan 0.000 0.502 1145 A N 0.018 122.603 122.820 -0.393 0.000 1.845 1145 A HA -0.085 4.234 4.320 -0.001 0.000 0.215 1145 A C 2.412 179.386 177.584 -1.016 0.000 1.195 1145 A CA 1.805 53.343 52.037 -0.832 0.000 0.616 1145 A CB -1.697 16.632 19.000 -1.118 0.000 0.832 1145 A HN 0.579 nan 8.150 nan 0.000 0.443 1146 G N -2.515 105.721 108.800 -0.940 0.000 2.650 1146 G HA2 0.016 3.975 3.960 -0.001 0.000 0.214 1146 G HA3 0.016 3.975 3.960 -0.001 0.000 0.214 1146 G C 1.249 175.986 174.900 -0.272 0.000 1.136 1146 G CA 0.980 45.461 45.100 -1.033 0.000 0.789 1146 G HN 0.426 nan 8.290 nan 0.000 0.536 1147 F N -0.247 119.476 119.950 -0.378 0.000 2.274 1147 F HA 0.296 4.823 4.527 -0.001 0.000 0.288 1147 F C 2.064 177.626 175.800 -0.396 0.000 1.069 1147 F CA 0.128 57.901 58.000 -0.378 0.000 1.343 1147 F CB 0.130 38.754 39.000 -0.628 0.000 1.089 1147 F HN 0.098 nan 8.300 nan 0.000 0.517 1148 Y N 0.675 120.643 120.300 -0.554 0.000 2.457 1148 Y HA 0.051 4.600 4.550 -0.001 0.000 0.292 1148 Y C 1.894 177.498 175.900 -0.492 0.000 1.125 1148 Y CA 0.916 58.654 58.100 -0.602 0.000 1.254 1148 Y CB -0.343 37.729 38.460 -0.646 0.000 1.012 1148 Y HN 0.158 nan 8.280 nan 0.000 0.555 1149 E N -1.546 118.454 120.200 -0.333 0.000 2.526 1149 E HA 0.157 4.507 4.350 -0.001 0.000 0.208 1149 E C 1.171 177.655 176.600 -0.193 0.000 0.997 1149 E CA 0.376 56.642 56.400 -0.223 0.000 0.961 1149 E CB 0.846 30.454 29.700 -0.154 0.000 1.030 1149 E HN 0.274 nan 8.360 nan 0.000 0.483 1150 V N -0.523 119.214 119.914 -0.295 0.000 3.350 1150 V HA -0.008 4.111 4.120 -0.001 0.000 0.246 1150 V C 1.728 177.726 176.094 -0.160 0.000 1.363 1150 V CA 0.287 62.461 62.300 -0.210 0.000 1.162 1150 V CB 0.704 32.310 31.823 -0.361 0.000 0.947 1150 V HN 0.224 nan 8.190 nan 0.000 0.454 1151 C N 0.440 119.605 119.300 -0.224 0.000 2.626 1151 C HA 0.194 4.653 4.460 -0.001 0.000 0.266 1151 C C 1.698 176.552 174.990 -0.227 0.000 1.317 1151 C CA -0.082 58.823 59.018 -0.189 0.000 1.716 1151 C CB -1.264 26.339 27.740 -0.228 0.000 1.819 1151 C HN 0.598 nan 8.230 nan 0.000 0.578 1152 S N 2.104 117.665 115.700 -0.232 0.000 3.230 1152 S HA -0.141 4.329 4.470 -0.001 0.000 0.309 1152 S C -2.079 172.417 174.600 -0.173 0.000 0.859 1152 S CA 0.311 58.401 58.200 -0.184 0.000 1.323 1152 S CB -0.787 62.350 63.200 -0.106 0.000 0.875 1152 S HN 0.642 nan 8.310 nan 0.000 0.469 1153 P HA 0.469 nan 4.420 nan 0.000 0.282 1153 P C -0.421 176.837 177.300 -0.071 0.000 1.249 1153 P CA -0.441 62.539 63.100 -0.200 0.000 0.806 1153 P CB 0.822 32.256 31.700 -0.443 0.000 0.984 1154 K N 1.257 121.651 120.400 -0.010 0.000 2.375 1154 K HA 0.326 4.645 4.320 -0.001 0.000 0.249 1154 K C -0.133 176.504 176.600 0.061 0.000 0.942 1154 K CA -0.846 55.453 56.287 0.019 0.000 0.806 1154 K CB 2.136 34.642 32.500 0.009 0.000 1.227 1154 K HN 0.472 nan 8.250 nan 0.000 0.430 1155 E N 0.029 120.269 120.200 0.067 0.000 2.502 1155 E HA 0.002 4.351 4.350 -0.001 0.000 0.261 1155 E C 0.827 177.476 176.600 0.082 0.000 0.974 1155 E CA 1.268 57.717 56.400 0.082 0.000 0.936 1155 E CB 0.183 29.923 29.700 0.067 0.000 0.926 1155 E HN 0.892 nan 8.360 nan 0.000 0.459 1156 G N 2.993 111.854 108.800 0.101 0.000 2.225 1156 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.254 1156 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.254 1156 G C 0.114 175.092 174.900 0.129 0.000 0.988 1156 G CA 0.149 45.312 45.100 0.106 0.000 0.625 1156 G HN 0.568 nan 8.290 nan 0.000 0.527 1157 E N 1.700 121.979 120.200 0.132 0.000 2.383 1157 E HA 0.422 4.771 4.350 -0.001 0.000 0.264 1157 E C 0.764 177.487 176.600 0.205 0.000 1.050 1157 E CA 0.505 56.990 56.400 0.140 0.000 0.896 1157 E CB 0.550 30.319 29.700 0.115 0.000 0.982 1157 E HN 0.408 nan 8.360 nan 0.000 0.424 1158 T N -0.860 113.817 114.554 0.206 0.000 2.749 1158 T HA 0.356 4.706 4.350 -0.001 0.000 0.295 1158 T C -0.099 174.737 174.700 0.227 0.000 0.936 1158 T CA -0.902 61.387 62.100 0.314 0.000 1.060 1158 T CB 0.512 69.557 68.868 0.295 0.000 0.904 1158 T HN 0.075 nan 8.240 nan 0.000 0.500 1159 V N 4.767 124.893 119.914 0.352 0.000 2.435 1159 V HA 0.432 4.551 4.120 -0.001 0.000 0.290 1159 V C -0.852 175.562 176.094 0.533 0.000 1.030 1159 V CA -1.042 61.458 62.300 0.333 0.000 0.881 1159 V CB 1.052 33.006 31.823 0.217 0.000 0.983 1159 V HN 0.871 nan 8.190 nan 0.000 0.445 1160 Y N 4.507 125.027 120.300 0.366 0.000 2.364 1160 Y HA 0.731 5.281 4.550 -0.001 0.000 0.340 1160 Y C -0.569 175.652 175.900 0.535 0.000 0.975 1160 Y CA -1.512 56.897 58.100 0.514 0.000 1.089 1160 Y CB 1.978 40.684 38.460 0.410 0.000 1.192 1160 Y HN 0.383 nan 8.280 nan 0.000 0.454 1161 V N 5.050 125.041 119.914 0.127 0.000 2.487 1161 V HA 0.474 4.593 4.120 -0.001 0.000 0.298 1161 V C -0.170 175.749 176.094 -0.291 0.000 1.028 1161 V CA -0.783 61.526 62.300 0.014 0.000 0.860 1161 V CB 1.517 33.438 31.823 0.164 0.000 0.991 1161 V HN 0.826 nan 8.190 nan 0.000 0.427 1162 S N 2.751 118.302 115.700 -0.248 0.000 2.617 1162 S HA 0.659 5.128 4.470 -0.001 0.000 0.283 1162 S C 0.812 175.356 174.600 -0.094 0.000 1.189 1162 S CA 0.212 58.285 58.200 -0.211 0.000 1.036 1162 S CB 1.459 64.576 63.200 -0.137 0.000 1.014 1162 S HN 1.844 nan 8.310 nan 0.000 0.522 1163 A N 1.123 123.890 122.820 -0.089 0.000 2.511 1163 A HA -0.209 4.110 4.320 -0.001 0.000 0.297 1163 A C 1.371 178.912 177.584 -0.073 0.000 1.476 1163 A CA 0.896 52.899 52.037 -0.057 0.000 0.757 1163 A CB -1.882 17.083 19.000 -0.060 0.000 1.072 1163 A HN 1.265 nan 8.150 nan 0.000 0.413 1164 A N 0.034 122.788 122.820 -0.110 0.000 2.121 1164 A HA 0.163 4.482 4.320 -0.001 0.000 0.218 1164 A C 2.080 179.498 177.584 -0.277 0.000 1.154 1164 A CA 1.959 53.887 52.037 -0.182 0.000 0.679 1164 A CB -0.490 18.341 19.000 -0.282 0.000 0.795 1164 A HN 2.027 nan 8.150 nan 0.000 0.458 1165 S N -1.358 114.219 115.700 -0.205 0.000 2.554 1165 S HA 0.414 4.883 4.470 -0.001 0.000 0.226 1165 S C 0.882 175.382 174.600 -0.167 0.000 0.980 1165 S CA 0.117 58.211 58.200 -0.178 0.000 0.939 1165 S CB -0.053 63.132 63.200 -0.026 0.000 0.832 1165 S HN 0.595 nan 8.310 nan 0.000 0.486 1166 G N 0.430 109.140 108.800 -0.151 0.000 2.425 1166 G HA2 0.566 4.525 3.960 -0.001 0.000 0.302 1166 G HA3 0.566 4.525 3.960 -0.001 0.000 0.302 1166 G C 1.060 175.870 174.900 -0.150 0.000 1.159 1166 G CA -0.394 44.633 45.100 -0.122 0.000 0.865 1166 G HN 0.409 nan 8.290 nan 0.000 0.515 1167 A N 1.022 123.775 122.820 -0.112 0.000 2.004 1167 A HA -0.219 4.101 4.320 -0.001 0.000 0.229 1167 A C 2.380 179.949 177.584 -0.024 0.000 1.455 1167 A CA 2.809 54.825 52.037 -0.036 0.000 0.709 1167 A CB -0.769 18.242 19.000 0.018 0.000 0.835 1167 A HN 0.759 nan 8.150 nan 0.000 0.514 1168 V N -1.443 118.446 119.914 -0.043 0.000 2.492 1168 V HA 0.049 4.168 4.120 -0.001 0.000 0.241 1168 V C 2.792 178.783 176.094 -0.172 0.000 1.041 1168 V CA 1.530 63.796 62.300 -0.056 0.000 1.057 1168 V CB -1.252 30.619 31.823 0.080 0.000 0.711 1168 V HN 0.638 nan 8.190 nan 0.000 0.468 1169 G N 0.663 109.383 108.800 -0.134 0.000 2.442 1169 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.219 1169 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.219 1169 G C 1.441 176.231 174.900 -0.183 0.000 1.141 1169 G CA 1.102 46.105 45.100 -0.162 0.000 0.763 1169 G HN 0.682 nan 8.290 nan 0.000 0.554 1170 Q N -0.514 119.101 119.800 -0.309 0.000 2.297 1170 Q HA 0.176 4.516 4.340 -0.001 0.000 0.204 1170 Q C 2.302 178.085 176.000 -0.361 0.000 0.962 1170 Q CA 0.698 56.197 55.803 -0.508 0.000 0.879 1170 Q CB -0.250 27.765 28.738 -1.205 0.000 0.947 1170 Q HN 0.435 nan 8.270 nan 0.000 0.462 1171 L N 0.166 121.214 121.223 -0.291 0.000 2.202 1171 L HA -0.032 4.307 4.340 -0.001 0.000 0.205 1171 L C 2.212 178.867 176.870 -0.358 0.000 1.083 1171 L CA 0.349 55.046 54.840 -0.238 0.000 0.790 1171 L CB 0.144 42.102 42.059 -0.168 0.000 0.942 1171 L HN 0.057 nan 8.230 nan 0.000 0.452 1172 V N -0.350 119.258 119.914 -0.511 0.000 2.343 1172 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 1172 V C 2.306 177.853 176.094 -0.911 0.000 1.051 1172 V CA 2.008 63.814 62.300 -0.824 0.000 1.036 1172 V CB -1.132 30.064 31.823 -1.045 0.000 0.654 1172 V HN 0.579 nan 8.190 nan 0.000 0.451 1173 G N -2.050 106.331 108.800 -0.697 0.000 2.848 1173 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.208 1173 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.208 1173 G C 1.375 175.764 174.900 -0.851 0.000 1.152 1173 G CA 0.162 44.658 45.100 -1.006 0.000 0.789 1173 G HN 0.534 nan 8.290 nan 0.000 0.531 1174 Q N -1.029 118.458 119.800 -0.521 0.000 2.387 1174 Q HA 0.190 4.529 4.340 -0.001 0.000 0.212 1174 Q C 2.196 178.034 176.000 -0.270 0.000 0.925 1174 Q CA -0.173 55.445 55.803 -0.308 0.000 0.901 1174 Q CB 0.013 28.658 28.738 -0.154 0.000 1.020 1174 Q HN 0.289 nan 8.270 nan 0.000 0.545 1175 L N 0.855 121.886 121.223 -0.321 0.000 2.127 1175 L HA -0.161 4.178 4.340 -0.001 0.000 0.211 1175 L C 2.168 178.872 176.870 -0.277 0.000 1.089 1175 L CA 1.896 56.596 54.840 -0.234 0.000 0.757 1175 L CB -0.813 41.011 42.059 -0.393 0.000 0.899 1175 L HN 0.174 nan 8.230 nan 0.000 0.434 1176 A N -1.481 120.959 122.820 -0.633 0.000 1.872 1176 A HA -0.115 4.205 4.320 -0.001 0.000 0.214 1176 A C 2.191 179.662 177.584 -0.190 0.000 1.187 1176 A CA 0.978 52.729 52.037 -0.475 0.000 0.614 1176 A CB -0.287 18.245 19.000 -0.780 0.000 0.826 1176 A HN 0.165 nan 8.150 nan 0.000 0.442 1177 K N -0.544 119.709 120.400 -0.246 0.000 2.360 1177 K HA 0.053 4.373 4.320 -0.001 0.000 0.201 1177 K C 1.445 178.015 176.600 -0.050 0.000 1.046 1177 K CA 0.915 57.119 56.287 -0.138 0.000 0.945 1177 K CB -0.365 32.031 32.500 -0.174 0.000 0.750 1177 K HN 0.568 nan 8.250 nan 0.000 0.464 1178 M N -0.662 118.920 119.600 -0.031 0.000 2.561 1178 M HA 0.091 4.570 4.480 -0.001 0.000 0.238 1178 M C 0.711 177.071 176.300 0.101 0.000 1.131 1178 M CA 0.311 55.626 55.300 0.026 0.000 1.046 1178 M CB 0.261 32.868 32.600 0.012 0.000 1.532 1178 M HN 0.044 nan 8.290 nan 0.000 0.497 1179 M N -2.386 117.283 119.600 0.116 0.000 2.758 1179 M HA 0.387 4.866 4.480 -0.001 0.000 0.281 1179 M C 1.365 177.724 176.300 0.098 0.000 1.082 1179 M CA -0.298 55.085 55.300 0.139 0.000 0.866 1179 M CB 0.998 33.728 32.600 0.216 0.000 1.662 1179 M HN 0.037 nan 8.290 nan 0.000 0.515 1180 G N -0.113 108.748 108.800 0.103 0.000 2.534 1180 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.217 1180 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.217 1180 G C 0.325 175.290 174.900 0.108 0.000 1.128 1180 G CA 0.027 45.183 45.100 0.093 0.000 0.784 1180 G HN 0.615 nan 8.290 nan 0.000 0.542 1181 C N -0.678 118.693 119.300 0.118 0.000 2.702 1181 C HA 0.163 4.622 4.460 -0.001 0.000 0.411 1181 C C 0.356 175.433 174.990 0.145 0.000 1.286 1181 C CA -0.523 58.582 59.018 0.145 0.000 1.979 1181 C CB -0.474 27.351 27.740 0.142 0.000 2.728 1181 C HN 0.443 nan 8.230 nan 0.000 0.652 1182 Y N 1.810 122.173 120.300 0.106 0.000 2.595 1182 Y HA 0.490 5.039 4.550 -0.001 0.000 0.336 1182 Y C -0.246 175.771 175.900 0.196 0.000 0.996 1182 Y CA -0.326 57.856 58.100 0.137 0.000 1.260 1182 Y CB 0.270 38.843 38.460 0.188 0.000 1.108 1182 Y HN 0.495 nan 8.280 nan 0.000 0.509 1183 V N 6.758 126.524 119.914 -0.246 0.000 2.370 1183 V HA 0.445 4.564 4.120 -0.001 0.000 0.279 1183 V C -0.344 175.675 176.094 -0.124 0.000 1.029 1183 V CA -0.879 61.314 62.300 -0.179 0.000 0.870 1183 V CB 1.002 32.514 31.823 -0.518 0.000 0.984 1183 V HN 0.462 nan 8.190 nan 0.000 0.451 1184 V N 3.785 123.798 119.914 0.166 0.000 2.555 1184 V HA 0.868 4.988 4.120 -0.001 0.000 0.302 1184 V C 0.691 177.105 176.094 0.532 0.000 1.038 1184 V CA -0.053 62.382 62.300 0.224 0.000 0.887 1184 V CB 1.883 33.623 31.823 -0.139 0.000 0.991 1184 V HN 0.999 nan 8.190 nan 0.000 0.434 1185 G N 1.941 110.924 108.800 0.305 0.000 2.820 1185 G HA2 0.710 4.669 3.960 -0.001 0.000 0.291 1185 G HA3 0.710 4.669 3.960 -0.001 0.000 0.291 1185 G C -0.918 173.845 174.900 -0.227 0.000 1.323 1185 G CA -0.609 44.492 45.100 0.001 0.000 1.055 1185 G HN 0.650 nan 8.290 nan 0.000 0.520 1186 S N -1.517 114.033 115.700 -0.251 0.000 2.592 1186 S HA 0.717 5.187 4.470 -0.001 0.000 0.275 1186 S C -0.410 174.164 174.600 -0.044 0.000 1.169 1186 S CA 0.107 58.153 58.200 -0.256 0.000 0.958 1186 S CB 1.275 64.402 63.200 -0.121 0.000 1.095 1186 S HN 1.427 nan 8.310 nan 0.000 0.471 1187 A N 2.141 124.971 122.820 0.016 0.000 2.583 1187 A HA 0.913 5.232 4.320 -0.001 0.000 0.289 1187 A C 0.899 178.481 177.584 -0.004 0.000 1.151 1187 A CA -0.180 51.906 52.037 0.081 0.000 0.695 1187 A CB 0.400 19.376 19.000 -0.040 0.000 1.290 1187 A HN 0.875 nan 8.150 nan 0.000 0.419 1188 G N 0.093 108.883 108.800 -0.017 0.000 2.499 1188 G HA2 0.260 4.219 3.960 -0.001 0.000 0.213 1188 G HA3 0.260 4.219 3.960 -0.001 0.000 0.213 1188 G C 1.030 175.833 174.900 -0.161 0.000 1.230 1188 G CA 1.461 46.450 45.100 -0.186 0.000 0.813 1188 G HN 1.475 nan 8.290 nan 0.000 0.542 1189 S N -0.800 114.855 115.700 -0.076 0.000 2.671 1189 S HA 0.402 4.871 4.470 -0.001 0.000 0.272 1189 S C 1.092 175.658 174.600 -0.056 0.000 1.174 1189 S CA -0.409 57.754 58.200 -0.061 0.000 1.004 1189 S CB 1.761 64.940 63.200 -0.036 0.000 1.077 1189 S HN 0.147 nan 8.310 nan 0.000 0.553 1190 K N 0.073 120.446 120.400 -0.044 0.000 2.186 1190 K HA 0.029 4.348 4.320 -0.001 0.000 0.202 1190 K C 1.865 178.442 176.600 -0.039 0.000 1.052 1190 K CA 0.547 56.812 56.287 -0.037 0.000 0.965 1190 K CB -0.216 32.266 32.500 -0.031 0.000 0.746 1190 K HN 0.730 nan 8.250 nan 0.000 0.457 1191 E N 1.177 121.354 120.200 -0.039 0.000 2.204 1191 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 1191 E C 1.439 178.012 176.600 -0.046 0.000 0.989 1191 E CA 0.999 57.374 56.400 -0.042 0.000 0.824 1191 E CB 0.278 29.956 29.700 -0.035 0.000 0.756 1191 E HN 0.198 nan 8.360 nan 0.000 0.477 1192 K N -0.266 120.111 120.400 -0.039 0.000 2.186 1192 K HA 0.001 4.320 4.320 -0.001 0.000 0.202 1192 K C 2.057 178.626 176.600 -0.053 0.000 1.052 1192 K CA 0.577 56.845 56.287 -0.033 0.000 0.965 1192 K CB 0.369 32.851 32.500 -0.029 0.000 0.746 1192 K HN -0.022 nan 8.250 nan 0.000 0.457 1193 V N 1.325 121.201 119.914 -0.063 0.000 2.649 1193 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 1193 V C 0.933 176.984 176.094 -0.071 0.000 1.054 1193 V CA 1.551 63.806 62.300 -0.075 0.000 1.073 1193 V CB -0.174 31.621 31.823 -0.046 0.000 0.699 1193 V HN 0.190 nan 8.190 nan 0.000 0.463 1194 D N -0.421 119.941 120.400 -0.063 0.000 2.363 1194 D HA 0.004 4.643 4.640 -0.001 0.000 0.226 1194 D C 1.540 177.777 176.300 -0.105 0.000 1.020 1194 D CA 0.468 54.428 54.000 -0.068 0.000 0.892 1194 D CB 0.380 41.146 40.800 -0.058 0.000 0.900 1194 D HN 0.246 nan 8.370 nan 0.000 0.531 1195 L N -0.471 120.677 121.223 -0.125 0.000 2.408 1195 L HA 0.178 4.517 4.340 -0.001 0.000 0.215 1195 L C 1.867 178.628 176.870 -0.182 0.000 1.081 1195 L CA 0.546 55.240 54.840 -0.243 0.000 0.840 1195 L CB 0.060 41.983 42.059 -0.226 0.000 1.002 1195 L HN 0.032 nan 8.230 nan 0.000 0.468 1196 L N -0.909 120.280 121.223 -0.057 0.000 2.044 1196 L HA -0.139 4.200 4.340 -0.001 0.000 0.205 1196 L C 2.388 179.274 176.870 0.027 0.000 1.075 1196 L CA 0.958 55.733 54.840 -0.108 0.000 0.747 1196 L CB -0.526 41.272 42.059 -0.435 0.000 0.903 1196 L HN 0.127 nan 8.230 nan 0.000 0.435 1197 K N -0.458 119.935 120.400 -0.012 0.000 2.148 1197 K HA -0.039 4.280 4.320 -0.001 0.000 0.204 1197 K C 1.854 178.463 176.600 0.015 0.000 1.050 1197 K CA 1.566 57.866 56.287 0.021 0.000 0.942 1197 K CB -0.297 32.200 32.500 -0.004 0.000 0.724 1197 K HN 0.394 nan 8.250 nan 0.000 0.446 1198 T N 0.508 115.041 114.554 -0.034 0.000 3.395 1198 T HA 0.010 4.359 4.350 -0.001 0.000 0.230 1198 T C 1.907 176.553 174.700 -0.089 0.000 0.958 1198 T CA 0.284 62.349 62.100 -0.058 0.000 1.377 1198 T CB -0.266 68.553 68.868 -0.082 0.000 1.124 1198 T HN -0.060 nan 8.240 nan 0.000 0.425 1199 K N 0.934 121.201 120.400 -0.222 0.000 2.063 1199 K HA 0.038 4.357 4.320 -0.001 0.000 0.208 1199 K C 1.068 177.516 176.600 -0.253 0.000 1.048 1199 K CA 1.460 57.535 56.287 -0.354 0.000 0.928 1199 K CB -0.493 31.593 32.500 -0.690 0.000 0.713 1199 K HN 0.289 nan 8.250 nan 0.000 0.442 1200 F N -0.246 119.750 119.950 0.076 0.000 2.641 1200 F HA 0.352 4.879 4.527 -0.001 0.000 0.302 1200 F C 1.239 177.166 175.800 0.212 0.000 1.098 1200 F CA -0.224 57.872 58.000 0.160 0.000 1.318 1200 F CB 0.035 39.184 39.000 0.249 0.000 1.035 1200 F HN 0.187 nan 8.300 nan 0.000 0.551 1201 G N 0.714 109.669 108.800 0.259 0.000 2.296 1201 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.282 1201 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.282 1201 G C 0.259 175.246 174.900 0.145 0.000 1.014 1201 G CA -0.131 45.055 45.100 0.144 0.000 0.812 1201 G HN 0.330 nan 8.290 nan 0.000 0.508 1202 F N -0.046 119.897 119.950 -0.011 0.000 2.471 1202 F HA 0.290 4.816 4.527 -0.001 0.000 0.353 1202 F C 1.658 177.398 175.800 -0.100 0.000 1.113 1202 F CA -0.158 57.801 58.000 -0.068 0.000 1.262 1202 F CB 0.621 39.588 39.000 -0.054 0.000 1.146 1202 F HN 0.041 nan 8.300 nan 0.000 0.578 1203 D N 0.096 120.476 120.400 -0.034 0.000 2.117 1203 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 1203 D C 0.221 176.472 176.300 -0.082 0.000 0.987 1203 D CA 1.580 55.494 54.000 -0.144 0.000 0.829 1203 D CB 0.146 40.640 40.800 -0.510 0.000 0.961 1203 D HN 0.368 nan 8.370 nan 0.000 0.460 1204 D N -1.936 118.408 120.400 -0.093 0.000 2.652 1204 D HA 0.737 5.377 4.640 -0.001 0.000 0.285 1204 D C -1.522 174.797 176.300 0.032 0.000 1.173 1204 D CA -0.689 53.307 54.000 -0.007 0.000 0.981 1204 D CB 1.908 42.708 40.800 -0.000 0.000 1.440 1204 D HN 0.017 nan 8.370 nan 0.000 0.485 1205 A N -0.340 122.521 122.820 0.068 0.000 2.549 1205 A HA 0.647 4.967 4.320 -0.001 0.000 0.291 1205 A C -1.833 175.857 177.584 0.177 0.000 1.034 1205 A CA -0.652 51.400 52.037 0.024 0.000 0.655 1205 A CB 0.534 19.473 19.000 -0.103 0.000 1.299 1205 A HN 0.602 nan 8.150 nan 0.000 0.427 1206 F N -1.259 118.700 119.950 0.016 0.000 2.923 1206 F HA 0.793 5.319 4.527 -0.001 0.000 0.323 1206 F C -0.745 175.070 175.800 0.025 0.000 1.189 1206 F CA -1.087 56.922 58.000 0.014 0.000 0.930 1206 F CB 1.265 40.277 39.000 0.020 0.000 1.414 1206 F HN 0.487 nan 8.300 nan 0.000 0.496 1207 N N 0.082 118.969 118.700 0.312 0.000 2.511 1207 N HA 0.262 5.001 4.740 -0.001 0.000 0.249 1207 N C 0.142 175.761 175.510 0.183 0.000 0.971 1207 N CA -0.793 52.306 53.050 0.082 0.000 0.938 1207 N CB 0.699 39.192 38.487 0.009 0.000 1.131 1207 N HN 0.739 nan 8.380 nan 0.000 0.505 1208 Y N 2.288 122.754 120.300 0.277 0.000 2.421 1208 Y HA 0.037 4.586 4.550 -0.001 0.000 0.292 1208 Y C 1.947 177.957 175.900 0.183 0.000 1.136 1208 Y CA 0.821 59.105 58.100 0.306 0.000 1.255 1208 Y CB -0.013 38.600 38.460 0.255 0.000 0.991 1208 Y HN 0.374 nan 8.280 nan 0.000 0.552 1209 K N 0.611 120.804 120.400 -0.345 0.000 2.025 1209 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 1209 K C 1.087 177.654 176.600 -0.055 0.000 1.049 1209 K CA 1.708 57.859 56.287 -0.227 0.000 0.933 1209 K CB -0.038 32.217 32.500 -0.407 0.000 0.714 1209 K HN 0.216 nan 8.250 nan 0.000 0.438 1210 E N 0.754 120.924 120.200 -0.050 0.000 2.445 1210 E HA 0.056 4.406 4.350 -0.001 0.000 0.189 1210 E C -1.017 175.590 176.600 0.012 0.000 1.069 1210 E CA 0.233 56.625 56.400 -0.012 0.000 0.871 1210 E CB 0.559 30.248 29.700 -0.018 0.000 0.991 1210 E HN 0.175 nan 8.360 nan 0.000 0.481 1211 E N -1.414 118.812 120.200 0.043 0.000 2.199 1211 E HA 0.314 4.663 4.350 -0.001 0.000 0.265 1211 E C 0.169 176.799 176.600 0.051 0.000 0.882 1211 E CA -0.180 56.239 56.400 0.031 0.000 0.759 1211 E CB 1.532 31.247 29.700 0.025 0.000 1.148 1211 E HN -0.124 nan 8.360 nan 0.000 0.412 1212 S N 2.024 117.734 115.700 0.017 0.000 2.387 1212 S HA -0.015 4.454 4.470 -0.001 0.000 0.221 1212 S C 0.184 174.795 174.600 0.019 0.000 1.041 1212 S CA 0.412 58.624 58.200 0.020 0.000 0.959 1212 S CB 0.231 63.433 63.200 0.004 0.000 0.843 1212 S HN 0.550 nan 8.310 nan 0.000 0.488 1213 D N 0.590 120.988 120.400 -0.004 0.000 2.425 1213 D HA 0.256 4.896 4.640 -0.001 0.000 0.240 1213 D C -0.003 176.279 176.300 -0.030 0.000 1.080 1213 D CA -0.293 53.700 54.000 -0.012 0.000 0.836 1213 D CB 1.671 42.455 40.800 -0.026 0.000 1.125 1213 D HN -0.018 nan 8.370 nan 0.000 0.525 1214 L N 3.440 124.665 121.223 0.003 0.000 2.341 1214 L HA 0.024 4.363 4.340 -0.001 0.000 0.214 1214 L C 2.216 179.067 176.870 -0.031 0.000 1.115 1214 L CA 1.263 56.111 54.840 0.014 0.000 0.820 1214 L CB -0.141 41.981 42.059 0.105 0.000 0.944 1214 L HN 0.417 nan 8.230 nan 0.000 0.452 1215 T N -0.782 113.756 114.554 -0.027 0.000 2.812 1215 T HA -0.088 4.261 4.350 -0.001 0.000 0.264 1215 T C 1.883 176.543 174.700 -0.065 0.000 1.042 1215 T CA 1.144 63.224 62.100 -0.033 0.000 1.140 1215 T CB -0.156 68.702 68.868 -0.017 0.000 0.870 1215 T HN 0.420 nan 8.240 nan 0.000 0.445 1216 A N 1.156 123.928 122.820 -0.081 0.000 2.019 1216 A HA 0.178 4.497 4.320 -0.001 0.000 0.219 1216 A C 2.522 180.006 177.584 -0.168 0.000 1.164 1216 A CA 1.719 53.697 52.037 -0.099 0.000 0.644 1216 A CB -0.803 18.145 19.000 -0.087 0.000 0.805 1216 A HN 0.500 nan 8.150 nan 0.000 0.449 1217 A N -0.502 122.152 122.820 -0.277 0.000 1.897 1217 A HA 0.103 4.422 4.320 -0.001 0.000 0.215 1217 A C 2.027 179.296 177.584 -0.524 0.000 1.181 1217 A CA 1.304 53.004 52.037 -0.562 0.000 0.620 1217 A CB -0.388 18.045 19.000 -0.946 0.000 0.821 1217 A HN 0.448 nan 8.150 nan 0.000 0.443 1218 L N -1.510 119.549 121.223 -0.273 0.000 2.446 1218 L HA 0.078 4.418 4.340 -0.001 0.000 0.219 1218 L C 2.323 179.250 176.870 0.095 0.000 1.116 1218 L CA 0.682 55.501 54.840 -0.034 0.000 0.844 1218 L CB -0.084 41.969 42.059 -0.009 0.000 0.970 1218 L HN 0.317 nan 8.230 nan 0.000 0.457 1219 K N -0.035 120.365 120.400 0.000 0.000 2.314 1219 K HA -0.046 4.274 4.320 -0.001 0.000 0.198 1219 K C 2.203 178.803 176.600 -0.000 0.000 1.045 1219 K CA 0.138 56.439 56.287 0.022 0.000 0.988 1219 K CB 0.327 32.822 32.500 -0.008 0.000 0.783 1219 K HN 0.130 nan 8.250 nan 0.000 0.484 1220 R N 0.143 120.609 120.500 -0.058 0.000 2.062 1220 R HA -0.061 4.278 4.340 -0.001 0.000 0.226 1220 R C 1.944 178.210 176.300 -0.057 0.000 1.125 1220 R CA 1.441 57.499 56.100 -0.070 0.000 0.966 1220 R CB -0.511 29.714 30.300 -0.125 0.000 0.861 1220 R HN 0.184 nan 8.270 nan 0.000 0.433 1221 C N 0.198 119.436 119.300 -0.102 0.000 2.446 1221 C HA 0.088 4.547 4.460 -0.001 0.000 0.277 1221 C C 0.706 175.569 174.990 -0.212 0.000 1.275 1221 C CA 0.199 59.110 59.018 -0.178 0.000 1.727 1221 C CB -0.641 26.917 27.740 -0.304 0.000 2.010 1221 C HN 0.306 nan 8.230 nan 0.000 0.486 1222 F N 0.562 120.577 119.950 0.109 0.000 2.382 1222 F HA 0.354 4.880 4.527 -0.001 0.000 0.361 1222 F C -1.852 173.951 175.800 0.006 0.000 1.109 1222 F CA -1.745 56.305 58.000 0.084 0.000 1.031 1222 F CB 0.671 39.730 39.000 0.098 0.000 1.234 1222 F HN -0.009 nan 8.300 nan 0.000 0.445 1223 P HA 0.027 nan 4.420 nan 0.000 0.224 1223 P C 0.218 177.550 177.300 0.053 0.000 1.157 1223 P CA 1.040 64.177 63.100 0.061 0.000 0.799 1223 P CB 0.301 32.008 31.700 0.012 0.000 0.809 1224 N N -0.908 117.828 118.700 0.061 0.000 2.230 1224 N HA 0.300 5.039 4.740 -0.001 0.000 0.202 1224 N C 0.521 176.054 175.510 0.038 0.000 1.119 1224 N CA 0.236 53.308 53.050 0.036 0.000 0.851 1224 N CB 0.337 38.831 38.487 0.012 0.000 0.990 1224 N HN 0.030 nan 8.380 nan 0.000 0.497 1225 G N 1.211 110.047 108.800 0.061 0.000 2.829 1225 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.628 1225 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.628 1225 G C -0.525 174.264 174.900 -0.186 0.000 1.412 1225 G CA -0.800 44.286 45.100 -0.025 0.000 0.864 1225 G HN 0.136 nan 8.290 nan 0.000 0.544 1226 I N 0.997 121.361 120.570 -0.343 0.000 2.342 1226 I HA 0.284 4.454 4.170 -0.001 0.000 0.291 1226 I C 0.577 176.600 176.117 -0.156 0.000 1.010 1226 I CA -0.723 60.300 61.300 -0.461 0.000 1.308 1226 I CB 1.285 38.999 38.000 -0.477 0.000 1.400 1226 I HN 0.551 nan 8.210 nan 0.000 0.488 1227 D N 5.121 125.476 120.400 -0.074 0.000 2.414 1227 D HA 0.246 4.885 4.640 -0.001 0.000 0.237 1227 D C 0.529 176.867 176.300 0.063 0.000 0.975 1227 D CA 1.140 55.150 54.000 0.017 0.000 0.917 1227 D CB 0.702 41.530 40.800 0.047 0.000 1.061 1227 D HN 0.332 nan 8.370 nan 0.000 0.480 1228 I N 0.601 121.238 120.570 0.111 0.000 2.412 1228 I HA 0.158 4.327 4.170 -0.001 0.000 0.296 1228 I C -1.040 175.248 176.117 0.286 0.000 0.987 1228 I CA -0.785 60.625 61.300 0.184 0.000 1.180 1228 I CB 1.704 39.843 38.000 0.233 0.000 1.340 1228 I HN -0.110 nan 8.210 nan 0.000 0.455 1229 Y N 7.092 127.471 120.300 0.132 0.000 2.361 1229 Y HA 0.443 4.993 4.550 -0.001 0.000 0.337 1229 Y C -1.640 174.342 175.900 0.136 0.000 0.965 1229 Y CA -1.811 56.375 58.100 0.143 0.000 1.091 1229 Y CB 1.382 39.908 38.460 0.111 0.000 1.182 1229 Y HN 0.391 nan 8.280 nan 0.000 0.450 1230 F N 6.123 125.984 119.950 -0.149 0.000 2.361 1230 F HA 0.377 4.903 4.527 -0.001 0.000 0.364 1230 F C -0.247 175.108 175.800 -0.741 0.000 1.120 1230 F CA -0.526 57.293 58.000 -0.301 0.000 1.102 1230 F CB 0.608 39.553 39.000 -0.090 0.000 1.183 1230 F HN 0.488 nan 8.300 nan 0.000 0.476 1231 E N 4.571 124.088 120.200 -1.137 0.000 2.014 1231 E HA 0.208 4.558 4.350 -0.001 0.000 0.275 1231 E C -0.299 175.928 176.600 -0.621 0.000 0.997 1231 E CA 0.033 55.800 56.400 -1.055 0.000 0.804 1231 E CB 0.068 29.221 29.700 -0.912 0.000 1.090 1231 E HN 0.573 nan 8.360 nan 0.000 0.401 1232 N N 2.904 121.373 118.700 -0.385 0.000 2.294 1232 N HA 0.028 4.768 4.740 -0.001 0.000 0.186 1232 N C 0.950 176.330 175.510 -0.217 0.000 1.107 1232 N CA 0.361 53.278 53.050 -0.222 0.000 0.884 1232 N CB 0.739 39.186 38.487 -0.067 0.000 1.030 1232 N HN 0.229 nan 8.380 nan 0.000 0.482 1233 V N -0.063 119.738 119.914 -0.188 0.000 2.502 1233 V HA 0.345 4.464 4.120 -0.001 0.000 0.234 1233 V C 1.095 177.114 176.094 -0.125 0.000 1.072 1233 V CA 1.082 63.284 62.300 -0.163 0.000 1.094 1233 V CB -0.714 31.026 31.823 -0.139 0.000 0.761 1233 V HN 0.397 nan 8.190 nan 0.000 0.489 1234 G N -1.319 107.462 108.800 -0.031 0.000 2.746 1234 G HA2 0.378 4.337 3.960 -0.001 0.000 0.685 1234 G HA3 0.378 4.337 3.960 -0.001 0.000 0.685 1234 G C 0.518 175.430 174.900 0.021 0.000 1.350 1234 G CA -0.328 44.770 45.100 -0.003 0.000 0.837 1234 G HN 1.679 nan 8.290 nan 0.000 0.564 1235 G N 0.356 109.180 108.800 0.041 0.000 2.557 1235 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.292 1235 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.292 1235 G C 1.399 176.350 174.900 0.085 0.000 1.162 1235 G CA 1.270 46.406 45.100 0.060 0.000 0.964 1235 G HN 1.698 nan 8.290 nan 0.000 0.541 1236 K N -0.226 120.222 120.400 0.080 0.000 2.077 1236 K HA -0.111 4.209 4.320 -0.001 0.000 0.213 1236 K C 2.808 179.467 176.600 0.097 0.000 1.051 1236 K CA 2.119 58.458 56.287 0.085 0.000 0.929 1236 K CB -0.242 32.311 32.500 0.088 0.000 0.715 1236 K HN 0.386 nan 8.250 nan 0.000 0.451 1237 M N 0.494 120.159 119.600 0.109 0.000 2.099 1237 M HA -0.115 4.364 4.480 -0.001 0.000 0.262 1237 M C 2.367 178.755 176.300 0.148 0.000 1.067 1237 M CA 1.345 56.736 55.300 0.152 0.000 1.124 1237 M CB -0.528 32.168 32.600 0.160 0.000 1.353 1237 M HN 0.238 nan 8.290 nan 0.000 0.410 1238 L N -0.053 121.273 121.223 0.172 0.000 2.093 1238 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 1238 L C 1.869 178.804 176.870 0.108 0.000 1.085 1238 L CA 1.206 56.160 54.840 0.190 0.000 0.755 1238 L CB -0.398 41.766 42.059 0.176 0.000 0.904 1238 L HN 0.268 nan 8.230 nan 0.000 0.435 1239 D N -0.251 120.206 120.400 0.096 0.000 2.178 1239 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 1239 D C 2.069 178.400 176.300 0.052 0.000 0.980 1239 D CA 1.289 55.338 54.000 0.081 0.000 0.842 1239 D CB 0.242 41.095 40.800 0.088 0.000 0.948 1239 D HN 0.406 nan 8.370 nan 0.000 0.472 1240 A N 0.254 123.100 122.820 0.044 0.000 1.930 1240 A HA -0.045 4.275 4.320 -0.001 0.000 0.215 1240 A C 2.463 180.039 177.584 -0.013 0.000 1.176 1240 A CA 0.594 52.644 52.037 0.023 0.000 0.632 1240 A CB -0.401 18.626 19.000 0.045 0.000 0.819 1240 A HN 0.116 nan 8.150 nan 0.000 0.445 1241 V N 0.167 120.053 119.914 -0.047 0.000 2.427 1241 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 1241 V C 2.465 178.527 176.094 -0.053 0.000 1.051 1241 V CA 1.731 63.955 62.300 -0.126 0.000 1.048 1241 V CB -0.680 30.930 31.823 -0.356 0.000 0.666 1241 V HN 0.555 nan 8.190 nan 0.000 0.456 1242 L N 0.403 121.626 121.223 0.001 0.000 2.201 1242 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 1242 L C 2.350 179.234 176.870 0.023 0.000 1.105 1242 L CA 1.333 56.189 54.840 0.027 0.000 0.775 1242 L CB -0.495 41.596 42.059 0.053 0.000 0.913 1242 L HN 0.462 nan 8.230 nan 0.000 0.440 1243 V N -4.565 115.358 119.914 0.015 0.000 3.052 1243 V HA 0.062 4.181 4.120 -0.001 0.000 0.254 1243 V C 1.570 177.664 176.094 -0.001 0.000 1.100 1243 V CA 0.954 63.262 62.300 0.013 0.000 1.112 1243 V CB -0.422 31.408 31.823 0.012 0.000 0.738 1243 V HN 0.402 nan 8.190 nan 0.000 0.469 1244 N N 0.219 118.909 118.700 -0.017 0.000 2.336 1244 N HA 0.293 5.032 4.740 -0.001 0.000 0.189 1244 N C 0.444 175.918 175.510 -0.060 0.000 1.113 1244 N CA 0.174 53.206 53.050 -0.030 0.000 0.858 1244 N CB 0.275 38.742 38.487 -0.033 0.000 0.970 1244 N HN 0.490 nan 8.380 nan 0.000 0.471 1245 M N 0.936 120.509 119.600 -0.045 0.000 2.250 1245 M HA 0.129 4.608 4.480 -0.001 0.000 0.344 1245 M C -0.034 176.252 176.300 -0.023 0.000 1.150 1245 M CA -0.015 55.260 55.300 -0.042 0.000 1.147 1245 M CB 0.843 33.437 32.600 -0.011 0.000 1.498 1245 M HN -0.038 nan 8.290 nan 0.000 0.461 1246 N N 1.620 120.306 118.700 -0.024 0.000 2.493 1246 N HA 0.346 5.085 4.740 -0.001 0.000 0.275 1246 N C -0.576 174.932 175.510 -0.005 0.000 1.186 1246 N CA -0.639 52.407 53.050 -0.007 0.000 0.978 1246 N CB 0.914 39.404 38.487 0.004 0.000 1.184 1246 N HN 0.536 nan 8.380 nan 0.000 0.487 1247 M N 2.178 121.768 119.600 -0.016 0.000 2.260 1247 M HA -0.076 4.404 4.480 -0.001 0.000 0.348 1247 M C 0.105 176.393 176.300 -0.019 0.000 1.342 1247 M CA 0.791 56.040 55.300 -0.085 0.000 1.040 1247 M CB -0.092 32.449 32.600 -0.098 0.000 1.810 1247 M HN 0.728 nan 8.290 nan 0.000 0.453 1248 H N -0.700 118.376 119.070 0.009 0.000 2.861 1248 H HA -0.131 4.424 4.556 -0.001 0.000 0.289 1248 H C 0.589 175.921 175.328 0.007 0.000 1.176 1248 H CA 0.798 56.849 56.048 0.005 0.000 1.146 1248 H CB -1.972 27.792 29.762 0.002 0.000 1.330 1248 H HN 0.916 nan 8.280 nan 0.000 0.379 1249 G N 0.672 109.518 108.800 0.076 0.000 2.415 1249 G HA2 0.443 4.403 3.960 -0.001 0.000 0.269 1249 G HA3 0.443 4.403 3.960 -0.001 0.000 0.269 1249 G C 0.269 175.204 174.900 0.058 0.000 1.209 1249 G CA -0.620 44.515 45.100 0.059 0.000 0.835 1249 G HN 0.120 nan 8.290 nan 0.000 0.534 1250 R N 0.243 120.780 120.500 0.063 0.000 2.720 1250 R HA 0.685 5.025 4.340 -0.001 0.000 0.272 1250 R C -0.303 176.053 176.300 0.093 0.000 0.991 1250 R CA -0.558 55.577 56.100 0.059 0.000 1.010 1250 R CB 1.969 32.286 30.300 0.028 0.000 1.141 1250 R HN 0.413 nan 8.270 nan 0.000 0.494 1251 I N 0.957 121.572 120.570 0.076 0.000 2.534 1251 I HA 0.427 4.596 4.170 -0.001 0.000 0.288 1251 I C -0.782 175.327 176.117 -0.013 0.000 1.077 1251 I CA -0.929 60.413 61.300 0.071 0.000 1.051 1251 I CB 2.265 40.337 38.000 0.120 0.000 1.234 1251 I HN 0.632 nan 8.210 nan 0.000 0.425 1252 A N 6.623 129.383 122.820 -0.100 0.000 2.253 1252 A HA 0.644 4.963 4.320 -0.001 0.000 0.316 1252 A C -0.497 176.916 177.584 -0.285 0.000 1.327 1252 A CA -0.417 51.553 52.037 -0.112 0.000 0.917 1252 A CB 0.702 19.636 19.000 -0.111 0.000 1.162 1252 A HN 0.448 nan 8.150 nan 0.000 0.535 1253 V N 3.584 123.407 119.914 -0.152 0.000 2.288 1253 V HA 0.046 4.165 4.120 -0.001 0.000 0.266 1253 V C 1.121 176.954 176.094 -0.434 0.000 1.048 1253 V CA -0.277 61.855 62.300 -0.279 0.000 0.842 1253 V CB 0.012 31.739 31.823 -0.160 0.000 1.064 1253 V HN 1.140 nan 8.190 nan 0.000 0.472 1254 C N 3.883 122.844 119.300 -0.564 0.000 2.543 1254 C HA 0.469 4.929 4.460 -0.001 0.000 0.281 1254 C C 1.263 176.009 174.990 -0.407 0.000 1.276 1254 C CA 1.078 59.687 59.018 -0.682 0.000 1.700 1254 C CB -0.489 26.921 27.740 -0.549 0.000 2.093 1254 C HN 0.886 nan 8.230 nan 0.000 0.488 1255 G N -1.053 107.591 108.800 -0.260 0.000 2.684 1255 G HA2 0.590 4.550 3.960 -0.001 0.000 0.290 1255 G HA3 0.590 4.550 3.960 -0.001 0.000 0.290 1255 G C -1.232 173.558 174.900 -0.183 0.000 1.425 1255 G CA -0.489 44.553 45.100 -0.097 0.000 0.822 1255 G HN 0.237 nan 8.290 nan 0.000 0.482 1256 M N 1.881 121.354 119.600 -0.212 0.000 2.353 1256 M HA 0.206 4.685 4.480 -0.001 0.000 0.218 1256 M C 0.506 176.408 176.300 -0.664 0.000 1.044 1256 M CA -0.219 54.910 55.300 -0.285 0.000 0.615 1256 M CB 0.881 33.424 32.600 -0.095 0.000 1.531 1256 M HN 0.517 nan 8.290 nan 0.000 0.378 1257 I N -1.350 118.788 120.570 -0.721 0.000 2.700 1257 I HA -0.168 4.001 4.170 -0.001 0.000 0.261 1257 I C 2.239 178.091 176.117 -0.442 0.000 1.219 1257 I CA 1.249 62.062 61.300 -0.812 0.000 1.463 1257 I CB -0.682 37.121 38.000 -0.327 0.000 1.092 1257 I HN 0.532 nan 8.210 nan 0.000 0.452 1258 S N 0.061 115.588 115.700 -0.288 0.000 2.453 1258 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 1258 S C 1.880 176.410 174.600 -0.116 0.000 1.005 1258 S CA 0.452 58.569 58.200 -0.138 0.000 0.949 1258 S CB -0.214 62.930 63.200 -0.093 0.000 0.774 1258 S HN 0.436 nan 8.310 nan 0.000 0.510 1259 Q N 0.095 119.811 119.800 -0.139 0.000 2.297 1259 Q HA 0.187 4.526 4.340 -0.001 0.000 0.203 1259 Q C 1.612 177.630 176.000 0.030 0.000 0.931 1259 Q CA 0.767 56.549 55.803 -0.036 0.000 0.885 1259 Q CB -0.687 28.060 28.738 0.015 0.000 0.991 1259 Q HN 0.616 nan 8.270 nan 0.000 0.498 1260 Y N 1.777 121.986 120.300 -0.153 0.000 2.241 1260 Y HA -0.128 4.421 4.550 -0.001 0.000 0.286 1260 Y C 1.636 177.337 175.900 -0.332 0.000 1.166 1260 Y CA 0.666 58.641 58.100 -0.207 0.000 1.203 1260 Y CB -0.650 37.709 38.460 -0.169 0.000 0.977 1260 Y HN 0.252 nan 8.280 nan 0.000 0.529 1261 N N -0.278 118.246 118.700 -0.294 0.000 2.336 1261 N HA 0.045 4.784 4.740 -0.001 0.000 0.189 1261 N C -0.311 174.950 175.510 -0.414 0.000 1.113 1261 N CA 0.206 52.882 53.050 -0.624 0.000 0.858 1261 N CB 0.442 38.115 38.487 -1.357 0.000 0.970 1261 N HN 0.132 nan 8.380 nan 0.000 0.471 1262 L N 0.887 121.984 121.223 -0.210 0.000 2.295 1262 L HA 0.205 4.544 4.340 -0.001 0.000 0.285 1262 L C 1.616 178.444 176.870 -0.069 0.000 1.035 1262 L CA -0.056 54.725 54.840 -0.098 0.000 0.806 1262 L CB 1.895 43.923 42.059 -0.052 0.000 1.214 1262 L HN -0.022 nan 8.230 nan 0.000 0.426 1263 E N 1.829 122.004 120.200 -0.041 0.000 2.112 1263 E HA -0.011 4.338 4.350 -0.001 0.000 0.190 1263 E C -0.160 176.426 176.600 -0.022 0.000 0.979 1263 E CA 0.566 56.947 56.400 -0.033 0.000 0.814 1263 E CB 0.348 30.040 29.700 -0.015 0.000 0.762 1263 E HN 0.680 nan 8.360 nan 0.000 0.460 1264 N N 1.322 120.017 118.700 -0.008 0.000 2.546 1264 N HA 0.120 4.859 4.740 -0.001 0.000 0.238 1264 N C -1.348 174.163 175.510 0.002 0.000 0.984 1264 N CA -0.173 52.877 53.050 0.000 0.000 0.935 1264 N CB 1.422 39.917 38.487 0.013 0.000 1.122 1264 N HN 0.033 nan 8.380 nan 0.000 0.510 1265 Q N 1.422 121.219 119.800 -0.005 0.000 2.295 1265 Q HA 0.040 4.379 4.340 -0.001 0.000 0.259 1265 Q C -0.262 175.742 176.000 0.007 0.000 0.976 1265 Q CA -0.055 55.747 55.803 -0.002 0.000 0.923 1265 Q CB 0.925 29.658 28.738 -0.009 0.000 1.185 1265 Q HN 0.498 nan 8.270 nan 0.000 0.410 1266 E N 1.741 121.952 120.200 0.018 0.000 2.414 1266 E HA 0.114 4.463 4.350 -0.001 0.000 0.263 1266 E C -0.433 176.187 176.600 0.033 0.000 1.000 1266 E CA -0.246 56.176 56.400 0.036 0.000 0.914 1266 E CB 0.591 30.318 29.700 0.045 0.000 0.948 1266 E HN 0.728 nan 8.360 nan 0.000 0.444 1267 G N 2.527 111.356 108.800 0.047 0.000 2.353 1267 G HA2 0.381 4.340 3.960 -0.001 0.000 0.284 1267 G HA3 0.381 4.340 3.960 -0.001 0.000 0.284 1267 G C -0.704 174.254 174.900 0.096 0.000 1.172 1267 G CA -0.567 44.539 45.100 0.010 0.000 0.854 1267 G HN 0.389 nan 8.290 nan 0.000 0.485 1268 V N 3.685 123.613 119.914 0.024 0.000 2.370 1268 V HA 0.236 4.355 4.120 -0.001 0.000 0.279 1268 V C 0.668 176.759 176.094 -0.005 0.000 1.029 1268 V CA -0.565 61.782 62.300 0.079 0.000 0.870 1268 V CB 0.929 32.784 31.823 0.054 0.000 0.984 1268 V HN 0.865 nan 8.190 nan 0.000 0.451 1269 H N 4.238 123.326 119.070 0.031 0.000 2.284 1269 H HA 0.005 4.560 4.556 -0.001 0.000 0.314 1269 H C 1.052 176.400 175.328 0.034 0.000 1.058 1269 H CA 1.694 57.759 56.048 0.029 0.000 1.394 1269 H CB 0.307 30.086 29.762 0.028 0.000 1.431 1269 H HN 0.781 nan 8.280 nan 0.000 0.537 1270 N N 2.035 120.836 118.700 0.168 0.000 3.243 1270 N HA 0.012 4.751 4.740 -0.001 0.000 0.310 1270 N C 0.447 176.009 175.510 0.086 0.000 1.313 1270 N CA 0.051 53.170 53.050 0.114 0.000 1.204 1270 N CB -0.220 38.329 38.487 0.103 0.000 1.483 1270 N HN 0.138 nan 8.380 nan 0.000 0.553 1271 L N 0.038 121.301 121.223 0.066 0.000 2.612 1271 L HA 0.170 4.509 4.340 -0.001 0.000 0.230 1271 L C 1.601 178.490 176.870 0.031 0.000 1.140 1271 L CA 0.304 55.169 54.840 0.042 0.000 0.896 1271 L CB -0.473 41.601 42.059 0.024 0.000 1.065 1271 L HN 0.513 nan 8.230 nan 0.000 0.447 1272 S N -2.318 113.421 115.700 0.065 0.000 2.414 1272 S HA -0.073 4.397 4.470 -0.001 0.000 0.227 1272 S C 1.700 176.377 174.600 0.128 0.000 1.022 1272 S CA 0.606 58.867 58.200 0.102 0.000 0.958 1272 S CB -0.526 62.768 63.200 0.156 0.000 0.797 1272 S HN 0.516 nan 8.310 nan 0.000 0.493 1273 N N 2.023 120.809 118.700 0.142 0.000 2.519 1273 N HA 0.009 4.748 4.740 -0.001 0.000 0.186 1273 N C 1.608 177.152 175.510 0.058 0.000 1.062 1273 N CA 1.378 54.532 53.050 0.172 0.000 0.910 1273 N CB -0.292 38.263 38.487 0.113 0.000 0.958 1273 N HN 0.776 nan 8.380 nan 0.000 0.445 1274 I N -2.753 117.797 120.570 -0.033 0.000 3.684 1274 I HA 0.084 4.253 4.170 -0.001 0.000 0.304 1274 I C 1.487 177.502 176.117 -0.169 0.000 1.278 1274 I CA 0.280 61.536 61.300 -0.073 0.000 1.272 1274 I CB -0.025 37.950 38.000 -0.042 0.000 1.029 1274 I HN -0.120 nan 8.210 nan 0.000 0.458 1275 I N 0.484 120.841 120.570 -0.355 0.000 2.270 1275 I HA -0.139 4.031 4.170 -0.001 0.000 0.239 1275 I C 1.980 177.821 176.117 -0.459 0.000 1.080 1275 I CA 1.348 62.333 61.300 -0.525 0.000 1.383 1275 I CB -0.504 36.943 38.000 -0.922 0.000 1.097 1275 I HN 0.076 nan 8.210 nan 0.000 0.420 1276 Y N 0.835 121.115 120.300 -0.033 0.000 2.571 1276 Y HA -0.027 4.522 4.550 -0.001 0.000 0.294 1276 Y C 1.806 177.668 175.900 -0.064 0.000 1.141 1276 Y CA 0.587 58.662 58.100 -0.040 0.000 1.308 1276 Y CB -0.324 38.120 38.460 -0.026 0.000 1.002 1276 Y HN 0.060 nan 8.280 nan 0.000 0.551 1277 K N -0.459 119.935 120.400 -0.010 0.000 2.413 1277 K HA 0.194 4.513 4.320 -0.001 0.000 0.204 1277 K C 0.339 176.853 176.600 -0.143 0.000 1.041 1277 K CA -0.235 56.017 56.287 -0.058 0.000 1.082 1277 K CB 0.595 33.089 32.500 -0.009 0.000 0.871 1277 K HN -0.062 nan 8.250 nan 0.000 0.535 1278 R N 1.446 121.848 120.500 -0.163 0.000 3.722 1278 R HA -0.165 4.174 4.340 -0.001 0.000 0.284 1278 R C -0.747 175.513 176.300 -0.067 0.000 1.165 1278 R CA 0.404 56.411 56.100 -0.155 0.000 0.779 1278 R CB -1.770 28.342 30.300 -0.313 0.000 1.179 1278 R HN 0.305 nan 8.270 nan 0.000 0.491 1279 N N 0.971 119.641 118.700 -0.050 0.000 2.492 1279 N HA 0.059 4.799 4.740 -0.001 0.000 0.260 1279 N C 0.162 175.675 175.510 0.005 0.000 1.215 1279 N CA 0.231 53.277 53.050 -0.007 0.000 0.923 1279 N CB 0.571 39.058 38.487 0.000 0.000 1.092 1279 N HN 0.161 nan 8.380 nan 0.000 0.448 1280 R N 2.460 122.974 120.500 0.023 0.000 2.337 1280 R HA 0.402 4.741 4.340 -0.001 0.000 0.319 1280 R C -0.739 175.578 176.300 0.029 0.000 0.954 1280 R CA -0.548 55.565 56.100 0.021 0.000 0.840 1280 R CB 0.393 30.707 30.300 0.022 0.000 1.164 1280 R HN 0.533 nan 8.270 nan 0.000 0.472 1281 I N 3.933 124.517 120.570 0.024 0.000 2.337 1281 I HA 0.157 4.326 4.170 -0.001 0.000 0.291 1281 I C -0.030 176.097 176.117 0.018 0.000 1.046 1281 I CA 0.033 61.347 61.300 0.023 0.000 1.324 1281 I CB 1.225 39.238 38.000 0.021 0.000 1.409 1281 I HN 0.336 nan 8.210 nan 0.000 0.494 1282 Q N 5.045 124.860 119.800 0.025 0.000 2.292 1282 Q HA 0.490 4.829 4.340 -0.001 0.000 0.270 1282 Q C -0.548 175.510 176.000 0.097 0.000 1.024 1282 Q CA -0.541 55.295 55.803 0.054 0.000 0.768 1282 Q CB 2.405 31.182 28.738 0.065 0.000 1.250 1282 Q HN 0.772 nan 8.270 nan 0.000 0.447 1283 G N 2.552 111.399 108.800 0.078 0.000 2.389 1283 G HA2 0.695 4.654 3.960 -0.001 0.000 0.317 1283 G HA3 0.695 4.654 3.960 -0.001 0.000 0.317 1283 G C -0.905 174.096 174.900 0.169 0.000 1.137 1283 G CA -0.341 44.788 45.100 0.047 0.000 0.870 1283 G HN 0.488 nan 8.290 nan 0.000 0.496 1284 F N -0.025 119.933 119.950 0.014 0.000 2.645 1284 F HA 0.761 5.288 4.527 -0.001 0.000 0.310 1284 F C -1.144 174.701 175.800 0.075 0.000 1.102 1284 F CA -1.449 56.609 58.000 0.097 0.000 0.952 1284 F CB 1.417 40.577 39.000 0.266 0.000 1.326 1284 F HN 0.436 nan 8.300 nan 0.000 0.456 1285 V N 2.130 122.086 119.914 0.071 0.000 2.769 1285 V HA 0.283 4.402 4.120 -0.001 0.000 0.312 1285 V C 0.871 177.140 176.094 0.290 0.000 1.058 1285 V CA -0.484 61.813 62.300 -0.005 0.000 0.952 1285 V CB 1.797 33.599 31.823 -0.035 0.000 1.019 1285 V HN 0.898 nan 8.190 nan 0.000 0.445 1286 V N 0.980 120.994 119.914 0.168 0.000 2.515 1286 V HA -0.146 3.973 4.120 -0.001 0.000 0.250 1286 V C 2.250 178.227 176.094 -0.195 0.000 1.058 1286 V CA 1.755 64.126 62.300 0.118 0.000 1.064 1286 V CB -0.993 30.744 31.823 -0.144 0.000 0.675 1286 V HN 0.922 nan 8.190 nan 0.000 0.461 1287 S N 1.140 116.664 115.700 -0.294 0.000 2.409 1287 S HA -0.313 4.156 4.470 -0.001 0.000 0.237 1287 S C 1.637 176.224 174.600 -0.022 0.000 1.060 1287 S CA 2.198 60.257 58.200 -0.235 0.000 1.052 1287 S CB -0.593 62.603 63.200 -0.006 0.000 0.871 1287 S HN 0.765 nan 8.310 nan 0.000 0.465 1288 D N -0.111 120.279 120.400 -0.015 0.000 2.264 1288 D HA -0.038 4.601 4.640 -0.001 0.000 0.208 1288 D C 0.794 177.019 176.300 -0.126 0.000 0.966 1288 D CA 0.844 54.769 54.000 -0.125 0.000 0.864 1288 D CB -0.225 40.315 40.800 -0.434 0.000 0.933 1288 D HN 0.523 nan 8.370 nan 0.000 0.499 1289 F N -1.076 118.888 119.950 0.024 0.000 2.654 1289 F HA 0.223 4.749 4.527 -0.001 0.000 0.303 1289 F C 1.288 177.196 175.800 0.181 0.000 1.099 1289 F CA -0.628 57.422 58.000 0.082 0.000 1.270 1289 F CB -0.436 38.595 39.000 0.052 0.000 1.024 1289 F HN -0.077 nan 8.300 nan 0.000 0.548 1290 Y N 1.474 121.930 120.300 0.260 0.000 2.680 1290 Y HA -0.173 4.376 4.550 -0.001 0.000 0.303 1290 Y C 1.855 177.801 175.900 0.077 0.000 1.166 1290 Y CA 0.151 58.348 58.100 0.161 0.000 1.344 1290 Y CB -0.201 38.344 38.460 0.143 0.000 1.002 1290 Y HN 0.276 nan 8.280 nan 0.000 0.537 1291 D N -0.026 120.512 120.400 0.230 0.000 2.305 1291 D HA -0.086 4.553 4.640 -0.001 0.000 0.206 1291 D C 0.698 177.158 176.300 0.268 0.000 0.974 1291 D CA 0.570 54.703 54.000 0.223 0.000 0.871 1291 D CB -0.118 40.823 40.800 0.235 0.000 0.947 1291 D HN 0.268 nan 8.370 nan 0.000 0.516 1292 K N -0.374 120.221 120.400 0.325 0.000 2.576 1292 K HA 0.079 4.398 4.320 -0.001 0.000 0.209 1292 K C 0.301 177.105 176.600 0.340 0.000 1.049 1292 K CA -0.428 56.054 56.287 0.324 0.000 1.140 1292 K CB 0.195 32.922 32.500 0.378 0.000 0.871 1292 K HN 0.031 nan 8.250 nan 0.000 0.479 1293 Y N 0.545 120.999 120.300 0.257 0.000 2.420 1293 Y HA -0.038 4.511 4.550 -0.001 0.000 0.292 1293 Y C 1.790 177.829 175.900 0.232 0.000 1.119 1293 Y CA 0.918 59.165 58.100 0.245 0.000 1.229 1293 Y CB 0.332 38.855 38.460 0.105 0.000 1.026 1293 Y HN 0.003 nan 8.280 nan 0.000 0.554 1294 S N 0.175 115.916 115.700 0.068 0.000 2.345 1294 S HA -0.153 4.317 4.470 -0.001 0.000 0.220 1294 S C 1.785 176.353 174.600 -0.054 0.000 1.031 1294 S CA 1.515 59.719 58.200 0.006 0.000 0.996 1294 S CB -0.246 63.018 63.200 0.107 0.000 0.882 1294 S HN 0.189 nan 8.310 nan 0.000 0.445 1295 K N 0.706 121.113 120.400 0.012 0.000 2.442 1295 K HA 0.142 4.461 4.320 -0.001 0.000 0.198 1295 K C 1.437 177.947 176.600 -0.151 0.000 1.042 1295 K CA 0.350 56.640 56.287 0.005 0.000 0.958 1295 K CB -0.295 32.274 32.500 0.115 0.000 0.766 1295 K HN 0.400 nan 8.250 nan 0.000 0.474 1296 F N 0.198 119.847 119.950 -0.502 0.000 2.123 1296 F HA 0.023 4.549 4.527 -0.001 0.000 0.289 1296 F C 1.426 176.969 175.800 -0.428 0.000 1.099 1296 F CA 1.096 58.571 58.000 -0.875 0.000 1.234 1296 F CB -0.463 38.051 39.000 -0.809 0.000 1.034 1296 F HN -0.140 nan 8.300 nan 0.000 0.479 1297 L N 0.434 121.190 121.223 -0.778 0.000 2.127 1297 L HA -0.222 4.117 4.340 -0.001 0.000 0.211 1297 L C 2.186 178.798 176.870 -0.431 0.000 1.089 1297 L CA 1.695 56.099 54.840 -0.727 0.000 0.757 1297 L CB -0.682 41.066 42.059 -0.517 0.000 0.899 1297 L HN 0.312 nan 8.230 nan 0.000 0.434 1298 E N -1.062 118.984 120.200 -0.257 0.000 2.338 1298 E HA -0.205 4.144 4.350 -0.001 0.000 0.197 1298 E C 1.644 178.185 176.600 -0.098 0.000 1.007 1298 E CA 0.857 57.170 56.400 -0.145 0.000 0.849 1298 E CB 0.107 29.772 29.700 -0.058 0.000 0.774 1298 E HN 0.473 nan 8.360 nan 0.000 0.506 1299 F N -0.343 119.443 119.950 -0.274 0.000 2.298 1299 F HA 0.021 4.547 4.527 -0.001 0.000 0.282 1299 F C 2.001 177.721 175.800 -0.132 0.000 1.045 1299 F CA 0.399 58.313 58.000 -0.143 0.000 1.280 1299 F CB -0.493 38.478 39.000 -0.048 0.000 1.114 1299 F HN -0.219 nan 8.300 nan 0.000 0.546 1300 V N 0.981 120.617 119.914 -0.463 0.000 2.427 1300 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 1300 V C 2.269 178.100 176.094 -0.439 0.000 1.051 1300 V CA 1.980 63.950 62.300 -0.551 0.000 1.048 1300 V CB -0.346 31.107 31.823 -0.617 0.000 0.666 1300 V HN 0.495 nan 8.190 nan 0.000 0.456 1301 L N -0.287 120.671 121.223 -0.442 0.000 2.056 1301 L HA -0.057 4.283 4.340 -0.001 0.000 0.207 1301 L C -0.063 176.611 176.870 -0.326 0.000 1.078 1301 L CA 1.690 56.310 54.840 -0.366 0.000 0.749 1301 L CB -1.219 40.596 42.059 -0.407 0.000 0.901 1301 L HN 0.306 nan 8.230 nan 0.000 0.433 1302 P HA -0.208 nan 4.420 nan 0.000 0.218 1302 P C 1.055 178.076 177.300 -0.465 0.000 1.146 1302 P CA 1.400 64.262 63.100 -0.396 0.000 0.820 1302 P CB -0.044 31.392 31.700 -0.439 0.000 0.778 1303 H N -2.389 116.481 119.070 -0.332 0.000 2.547 1303 H HA 0.168 4.724 4.556 -0.001 0.000 0.272 1303 H C 1.969 177.172 175.328 -0.208 0.000 0.971 1303 H CA 0.689 56.560 56.048 -0.295 0.000 1.245 1303 H CB -0.135 29.357 29.762 -0.449 0.000 1.440 1303 H HN 0.201 nan 8.280 nan 0.000 0.540 1304 I N 0.492 120.993 120.570 -0.115 0.000 2.206 1304 I HA -0.163 4.007 4.170 -0.001 0.000 0.239 1304 I C 2.378 178.453 176.117 -0.070 0.000 1.078 1304 I CA 0.843 62.096 61.300 -0.079 0.000 1.367 1304 I CB -0.121 37.827 38.000 -0.087 0.000 1.078 1304 I HN -0.019 nan 8.210 nan 0.000 0.413 1305 R N 0.555 120.990 120.500 -0.108 0.000 2.249 1305 R HA -0.181 4.158 4.340 -0.001 0.000 0.230 1305 R C 1.664 177.915 176.300 -0.082 0.000 1.121 1305 R CA 1.132 57.173 56.100 -0.097 0.000 0.997 1305 R CB -0.230 29.994 30.300 -0.127 0.000 0.867 1305 R HN 0.449 nan 8.270 nan 0.000 0.465 1306 E N -1.163 118.986 120.200 -0.085 0.000 2.431 1306 E HA 0.102 4.451 4.350 -0.001 0.000 0.200 1306 E C 0.460 177.042 176.600 -0.030 0.000 0.995 1306 E CA 0.351 56.714 56.400 -0.063 0.000 0.915 1306 E CB 1.061 30.712 29.700 -0.082 0.000 0.930 1306 E HN 0.396 nan 8.360 nan 0.000 0.496 1307 G N 1.807 110.595 108.800 -0.020 0.000 2.248 1307 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.252 1307 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.252 1307 G C 0.507 175.411 174.900 0.007 0.000 1.085 1307 G CA 0.480 45.579 45.100 -0.002 0.000 0.845 1307 G HN 0.192 nan 8.290 nan 0.000 0.494 1308 K N -1.118 119.289 120.400 0.013 0.000 2.367 1308 K HA 0.396 4.716 4.320 -0.001 0.000 0.195 1308 K C 0.784 177.374 176.600 -0.017 0.000 1.060 1308 K CA 0.342 56.635 56.287 0.010 0.000 1.022 1308 K CB 0.965 33.499 32.500 0.056 0.000 0.894 1308 K HN 0.474 nan 8.250 nan 0.000 0.540 1309 I N 1.736 122.299 120.570 -0.011 0.000 2.466 1309 I HA 0.131 4.301 4.170 -0.001 0.000 0.289 1309 I C -0.594 175.553 176.117 0.048 0.000 1.026 1309 I CA -0.615 60.682 61.300 -0.004 0.000 1.078 1309 I CB 2.276 40.237 38.000 -0.065 0.000 1.249 1309 I HN -0.045 nan 8.210 nan 0.000 0.429 1310 T N 2.894 117.524 114.554 0.126 0.000 2.885 1310 T HA 0.638 4.987 4.350 -0.001 0.000 0.285 1310 T C -1.116 173.820 174.700 0.393 0.000 1.019 1310 T CA -0.917 61.315 62.100 0.219 0.000 1.010 1310 T CB 2.002 70.986 68.868 0.194 0.000 1.022 1310 T HN 0.436 nan 8.240 nan 0.000 0.466 1311 Y N 0.749 121.165 120.300 0.194 0.000 2.436 1311 Y HA 0.516 5.065 4.550 -0.001 0.000 0.327 1311 Y C -1.603 174.373 175.900 0.127 0.000 1.138 1311 Y CA -0.949 57.237 58.100 0.142 0.000 1.042 1311 Y CB 1.297 39.636 38.460 -0.200 0.000 1.302 1311 Y HN 0.702 nan 8.280 nan 0.000 0.439 1312 V N 5.065 124.936 119.914 -0.071 0.000 2.834 1312 V HA 0.610 4.729 4.120 -0.001 0.000 0.313 1312 V C -0.636 175.089 176.094 -0.615 0.000 1.060 1312 V CA -0.583 61.606 62.300 -0.185 0.000 0.989 1312 V CB 1.948 33.792 31.823 0.036 0.000 1.041 1312 V HN 0.798 nan 8.190 nan 0.000 0.459 1313 E N 1.058 121.065 120.200 -0.322 0.000 2.413 1313 E HA 0.383 4.732 4.350 -0.001 0.000 0.277 1313 E C -1.956 174.585 176.600 -0.099 0.000 0.958 1313 E CA -0.603 55.644 56.400 -0.256 0.000 0.779 1313 E CB 2.216 31.834 29.700 -0.136 0.000 1.278 1313 E HN 0.658 nan 8.360 nan 0.000 0.456 1314 D N 3.273 123.638 120.400 -0.059 0.000 2.375 1314 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 1314 D C -0.899 175.408 176.300 0.012 0.000 1.235 1314 D CA -0.342 53.646 54.000 -0.020 0.000 0.924 1314 D CB 1.221 42.006 40.800 -0.025 0.000 1.143 1314 D HN 0.320 nan 8.370 nan 0.000 0.529 1315 V N 0.781 120.713 119.914 0.029 0.000 2.583 1315 V HA 0.879 4.998 4.120 -0.001 0.000 0.287 1315 V C 0.188 176.306 176.094 0.040 0.000 1.051 1315 V CA -0.770 61.563 62.300 0.055 0.000 1.010 1315 V CB 0.986 32.855 31.823 0.077 0.000 0.988 1315 V HN 0.528 nan 8.190 nan 0.000 0.478 1316 A N 2.856 125.701 122.820 0.041 0.000 2.393 1316 A HA 0.667 4.987 4.320 -0.001 0.000 0.306 1316 A C -0.846 176.751 177.584 0.021 0.000 1.050 1316 A CA -0.619 51.432 52.037 0.023 0.000 0.724 1316 A CB 1.546 20.552 19.000 0.011 0.000 1.248 1316 A HN 0.887 nan 8.150 nan 0.000 0.424 1317 D N 1.039 121.446 120.400 0.011 0.000 2.316 1317 D HA 0.506 5.145 4.640 -0.001 0.000 0.245 1317 D C 0.759 177.050 176.300 -0.015 0.000 1.171 1317 D CA 1.979 55.980 54.000 0.002 0.000 0.856 1317 D CB 0.680 41.482 40.800 0.004 0.000 1.090 1317 D HN 1.330 nan 8.370 nan 0.000 0.476 1318 G N 2.242 111.025 108.800 -0.029 0.000 2.755 1318 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.686 1318 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.686 1318 G C 0.920 175.798 174.900 -0.037 0.000 1.427 1318 G CA -0.380 44.699 45.100 -0.034 0.000 0.873 1318 G HN 0.558 nan 8.290 nan 0.000 0.580 1319 L N 0.474 121.683 121.223 -0.024 0.000 2.270 1319 L HA -0.168 4.172 4.340 -0.001 0.000 0.217 1319 L C 2.791 179.802 176.870 0.234 0.000 1.107 1319 L CA 2.287 57.139 54.840 0.020 0.000 0.772 1319 L CB -0.380 41.743 42.059 0.107 0.000 0.902 1319 L HN 0.787 nan 8.230 nan 0.000 0.439 1320 E N 0.163 120.466 120.200 0.171 0.000 2.097 1320 E HA -0.244 4.105 4.350 -0.001 0.000 0.196 1320 E C 1.942 178.595 176.600 0.088 0.000 1.000 1320 E CA 1.329 57.764 56.400 0.058 0.000 0.804 1320 E CB -0.033 29.623 29.700 -0.074 0.000 0.740 1320 E HN 0.247 nan 8.360 nan 0.000 0.454 1321 K N -0.683 119.747 120.400 0.049 0.000 2.367 1321 K HA 0.265 4.584 4.320 -0.001 0.000 0.194 1321 K C 1.470 178.075 176.600 0.008 0.000 1.027 1321 K CA 0.551 56.851 56.287 0.021 0.000 1.075 1321 K CB 0.466 32.965 32.500 -0.001 0.000 0.845 1321 K HN 0.118 nan 8.250 nan 0.000 0.529 1322 A N 1.390 124.198 122.820 -0.020 0.000 1.968 1322 A HA 0.019 4.339 4.320 -0.001 0.000 0.217 1322 A C -0.783 176.826 177.584 0.042 0.000 1.169 1322 A CA 0.787 52.744 52.037 -0.133 0.000 0.638 1322 A CB -1.129 17.533 19.000 -0.564 0.000 0.812 1322 A HN 0.108 nan 8.150 nan 0.000 0.446 1323 P HA -0.252 nan 4.420 nan 0.000 0.216 1323 P C 1.457 178.620 177.300 -0.228 0.000 1.167 1323 P CA 1.808 64.666 63.100 -0.404 0.000 0.914 1323 P CB -0.064 31.483 31.700 -0.254 0.000 0.793 1324 E N -1.103 119.062 120.200 -0.058 0.000 2.160 1324 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 1324 E C 1.820 178.439 176.600 0.032 0.000 0.991 1324 E CA 1.221 57.623 56.400 0.003 0.000 0.810 1324 E CB -0.366 29.345 29.700 0.017 0.000 0.742 1324 E HN 0.120 nan 8.360 nan 0.000 0.466 1325 A N 0.485 123.322 122.820 0.028 0.000 1.903 1325 A HA -0.070 4.249 4.320 -0.001 0.000 0.213 1325 A C 1.978 179.605 177.584 0.071 0.000 1.185 1325 A CA 0.578 52.643 52.037 0.046 0.000 0.628 1325 A CB -0.316 18.707 19.000 0.039 0.000 0.830 1325 A HN 0.319 nan 8.150 nan 0.000 0.446 1326 L N -0.170 121.134 121.223 0.135 0.000 2.217 1326 L HA 0.011 4.350 4.340 -0.001 0.000 0.211 1326 L C 2.194 179.171 176.870 0.180 0.000 1.107 1326 L CA 1.353 56.303 54.840 0.184 0.000 0.783 1326 L CB -0.320 41.957 42.059 0.362 0.000 0.919 1326 L HN 0.136 nan 8.230 nan 0.000 0.442 1327 V N -0.252 119.771 119.914 0.182 0.000 2.283 1327 V HA -0.082 4.037 4.120 -0.001 0.000 0.243 1327 V C 2.236 178.481 176.094 0.251 0.000 1.039 1327 V CA 1.639 64.131 62.300 0.320 0.000 1.016 1327 V CB -1.263 30.698 31.823 0.230 0.000 0.650 1327 V HN 0.552 nan 8.190 nan 0.000 0.449 1328 G N -0.916 107.986 108.800 0.169 0.000 3.155 1328 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.213 1328 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.213 1328 G C 1.154 176.074 174.900 0.034 0.000 1.196 1328 G CA 0.092 45.302 45.100 0.184 0.000 0.846 1328 G HN 0.425 nan 8.290 nan 0.000 0.516 1329 L N -1.744 119.382 121.223 -0.162 0.000 2.556 1329 L HA 0.486 4.826 4.340 -0.001 0.000 0.226 1329 L C 1.557 178.155 176.870 -0.453 0.000 1.089 1329 L CA 0.602 55.226 54.840 -0.359 0.000 0.864 1329 L CB 0.111 41.832 42.059 -0.564 0.000 1.067 1329 L HN 0.216 nan 8.230 nan 0.000 0.477 1330 F N -1.998 117.934 119.950 -0.030 0.000 2.727 1330 F HA 0.135 4.662 4.527 -0.001 0.000 0.302 1330 F C 1.796 177.603 175.800 0.012 0.000 1.097 1330 F CA 0.025 58.011 58.000 -0.022 0.000 1.330 1330 F CB 0.197 39.205 39.000 0.013 0.000 1.084 1330 F HN 0.166 nan 8.300 nan 0.000 0.578 1331 H N -1.058 118.203 119.070 0.317 0.000 2.408 1331 H HA 0.385 4.940 4.556 -0.001 0.000 0.271 1331 H C 1.607 177.012 175.328 0.128 0.000 0.957 1331 H CA 0.928 57.090 56.048 0.189 0.000 1.170 1331 H CB 0.289 30.111 29.762 0.099 0.000 1.458 1331 H HN -0.009 nan 8.280 nan 0.000 0.491 1332 G N 1.721 110.616 108.800 0.158 0.000 2.754 1332 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.215 1332 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.215 1332 G C 0.244 175.181 174.900 0.063 0.000 1.121 1332 G CA 0.137 45.285 45.100 0.080 0.000 0.954 1332 G HN 0.201 nan 8.290 nan 0.000 0.511 1333 K N 0.962 121.396 120.400 0.057 0.000 2.440 1333 K HA 0.149 4.469 4.320 -0.001 0.000 0.206 1333 K C 1.080 177.689 176.600 0.014 0.000 1.025 1333 K CA -0.135 56.173 56.287 0.037 0.000 1.135 1333 K CB -0.083 32.447 32.500 0.050 0.000 0.856 1333 K HN 0.686 nan 8.250 nan 0.000 0.502 1334 N N 0.006 118.705 118.700 -0.001 0.000 2.499 1334 N HA 0.015 4.754 4.740 -0.001 0.000 0.281 1334 N C 0.589 176.086 175.510 -0.022 0.000 1.098 1334 N CA -0.191 52.848 53.050 -0.019 0.000 0.979 1334 N CB 1.817 40.282 38.487 -0.038 0.000 1.121 1334 N HN -0.240 nan 8.380 nan 0.000 0.466 1335 V N 2.274 122.171 119.914 -0.028 0.000 2.284 1335 V HA 0.106 4.225 4.120 -0.001 0.000 0.236 1335 V C 1.825 177.898 176.094 -0.036 0.000 1.044 1335 V CA 1.768 64.054 62.300 -0.023 0.000 1.019 1335 V CB -1.091 30.717 31.823 -0.024 0.000 0.657 1335 V HN 0.836 nan 8.190 nan 0.000 0.465 1336 G N -0.497 108.256 108.800 -0.078 0.000 3.137 1336 G HA2 0.195 4.154 3.960 -0.001 0.000 0.163 1336 G HA3 0.195 4.154 3.960 -0.001 0.000 0.163 1336 G C -0.038 174.766 174.900 -0.160 0.000 1.602 1336 G CA -0.265 44.738 45.100 -0.161 0.000 1.067 1336 G HN 0.169 nan 8.290 nan 0.000 0.568 1337 K N 0.852 121.111 120.400 -0.234 0.000 2.298 1337 K HA 0.178 4.497 4.320 -0.001 0.000 0.280 1337 K C -0.670 175.894 176.600 -0.059 0.000 1.032 1337 K CA -0.153 56.065 56.287 -0.115 0.000 0.958 1337 K CB 1.330 33.785 32.500 -0.074 0.000 0.978 1337 K HN 0.347 nan 8.250 nan 0.000 0.472 1338 Q N 3.329 123.127 119.800 -0.004 0.000 2.377 1338 Q HA 0.221 4.560 4.340 -0.001 0.000 0.249 1338 Q C -1.141 174.904 176.000 0.075 0.000 1.005 1338 Q CA -0.370 55.447 55.803 0.025 0.000 0.912 1338 Q CB 0.854 29.603 28.738 0.019 0.000 1.223 1338 Q HN 0.286 nan 8.270 nan 0.000 0.459 1339 V N 4.085 124.045 119.914 0.077 0.000 2.716 1339 V HA 0.543 4.662 4.120 -0.001 0.000 0.304 1339 V C -0.419 175.733 176.094 0.096 0.000 1.053 1339 V CA -0.748 61.623 62.300 0.120 0.000 0.984 1339 V CB 1.965 33.868 31.823 0.134 0.000 1.021 1339 V HN 0.537 nan 8.190 nan 0.000 0.467 1340 V N 4.060 124.031 119.914 0.095 0.000 2.447 1340 V HA 0.301 4.420 4.120 -0.001 0.000 0.292 1340 V C -0.278 175.856 176.094 0.066 0.000 1.021 1340 V CA -0.652 61.657 62.300 0.016 0.000 0.850 1340 V CB 1.869 33.603 31.823 -0.147 0.000 1.005 1340 V HN 0.621 nan 8.190 nan 0.000 0.426 1341 V N 5.945 125.910 119.914 0.085 0.000 2.479 1341 V HA 0.128 4.247 4.120 -0.001 0.000 0.281 1341 V C 1.008 177.039 176.094 -0.106 0.000 1.031 1341 V CA 0.217 62.536 62.300 0.032 0.000 1.038 1341 V CB 1.092 32.950 31.823 0.060 0.000 0.981 1341 V HN 0.693 nan 8.190 nan 0.000 0.478 1342 V N 3.557 123.348 119.914 -0.203 0.000 2.672 1342 V HA 0.402 4.522 4.120 -0.001 0.000 0.242 1342 V C 0.884 176.875 176.094 -0.171 0.000 1.059 1342 V CA 1.292 63.492 62.300 -0.167 0.000 1.081 1342 V CB 0.453 32.171 31.823 -0.175 0.000 0.752 1342 V HN 0.943 nan 8.190 nan 0.000 0.472 1343 A N -0.122 122.538 122.820 -0.267 0.000 2.427 1343 A HA 0.705 5.024 4.320 -0.001 0.000 0.298 1343 A C -0.480 176.887 177.584 -0.361 0.000 1.036 1343 A CA -0.556 51.335 52.037 -0.243 0.000 0.701 1343 A CB 1.544 20.413 19.000 -0.220 0.000 1.250 1343 A HN 0.195 nan 8.150 nan 0.000 0.412 1344 R N 1.146 121.522 120.500 -0.206 0.000 2.553 1344 R HA 0.515 4.854 4.340 -0.001 0.000 0.263 1344 R C 0.113 176.382 176.300 -0.052 0.000 1.066 1344 R CA 0.568 56.591 56.100 -0.129 0.000 1.135 1344 R CB 0.617 30.928 30.300 0.017 0.000 1.148 1344 R HN 1.143 nan 8.270 nan 0.000 0.558 1345 E N 0.000 120.243 120.200 0.072 0.000 2.725 1345 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 1345 E CA 0.000 56.453 56.400 0.088 0.000 0.976 1345 E CB 0.000 29.726 29.700 0.043 0.000 0.812 1345 E HN 0.000 nan 8.360 nan 0.000 0.440