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 1v8z_1_A DATA FIRST_RESID 1 DATA SEQUENCE MWFGEFGGQY VPETLIEPLK ELEKAYKRFK DDEEFNRQLN YYLKTWAGRP DATA SEQUENCE TPLYYAKRLT EKIGGAKIYL KREDLVHGGA HKTNNAIGQA LLAKFMGKTR DATA SEQUENCE LIAETGAGQH GVATAMAGAL LGMKVDIYMG AEDVERQKMN VFRMKLLGAN DATA SEQUENCE VIPVNSGSRT LKDAINEALR DWVATFEYTH YLIGSVVGPH PYPTIVRDFQ DATA SEQUENCE SVIGREAKAQ ILEAEGQLPD VIVACVGGGS NAMGIFYPFV NDKKVKLVGV DATA SEQUENCE EAGGKGLESG KHSASLNAGQ VGVFHGMLSY FLQDEEGQIK PTHSIAPGLD DATA SEQUENCE YPGVGPEHAY LKKIQRAEYV TVTDEEALKA FHELSRTEGI IPALESAHAV DATA SEQUENCE AYAMKLAKEM SRDEIIIVNL SGRGDKDLDI VLKVSG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.759 176.300 -0.901 0.000 1.140 1 M CA 0.000 54.587 55.300 -1.189 0.000 0.988 1 M CB 0.000 31.614 32.600 -1.644 0.000 1.302 2 W N 0.875 121.908 121.300 -0.445 0.000 2.799 2 W HA 0.548 5.209 4.660 0.001 0.000 0.349 2 W C -1.492 174.648 176.519 -0.631 0.000 1.100 2 W CA -0.364 56.788 57.345 -0.322 0.000 1.174 2 W CB 1.152 30.520 29.460 -0.154 0.000 1.427 2 W HN -0.028 nan 8.180 nan 0.000 0.547 3 F N 1.552 121.598 119.950 0.159 0.000 2.552 3 F HA 0.490 5.018 4.527 0.001 0.000 0.369 3 F C 0.868 176.565 175.800 -0.171 0.000 1.112 3 F CA -0.048 57.830 58.000 -0.203 0.000 1.129 3 F CB 0.699 39.671 39.000 -0.048 0.000 1.360 3 F HN 0.611 nan 8.300 nan 0.000 0.473 4 G N 2.555 111.233 108.800 -0.204 0.000 2.536 4 G HA2 -0.301 3.660 3.960 0.001 0.000 0.280 4 G HA3 -0.301 3.660 3.960 0.001 0.000 0.280 4 G C 1.076 175.969 174.900 -0.011 0.000 1.152 4 G CA 0.415 45.559 45.100 0.073 0.000 0.970 4 G HN 0.579 nan 8.290 nan 0.000 0.549 5 E N 0.712 120.795 120.200 -0.195 0.000 2.447 5 E HA 0.210 4.561 4.350 0.001 0.000 0.195 5 E C 0.544 176.998 176.600 -0.244 0.000 1.028 5 E CA 0.220 56.393 56.400 -0.378 0.000 0.876 5 E CB 0.086 29.469 29.700 -0.528 0.000 0.885 5 E HN 0.397 nan 8.360 nan 0.000 0.500 6 F N 1.326 121.478 119.950 0.337 0.000 2.371 6 F HA 0.520 5.048 4.527 0.001 0.000 0.329 6 F C 1.624 177.795 175.800 0.617 0.000 1.107 6 F CA 0.721 58.984 58.000 0.438 0.000 1.137 6 F CB 1.216 40.446 39.000 0.383 0.000 1.214 6 F HN 0.185 nan 8.300 nan 0.000 0.536 7 G N 0.178 109.442 108.800 0.772 0.000 2.659 7 G HA2 0.426 4.386 3.960 0.001 0.000 0.214 7 G HA3 0.426 4.386 3.960 0.001 0.000 0.214 7 G C 0.038 175.209 174.900 0.451 0.000 1.191 7 G CA -0.190 45.269 45.100 0.598 0.000 1.141 7 G HN 1.949 nan 8.290 nan 0.000 0.581 8 G N -1.254 107.506 108.800 -0.066 0.000 2.660 8 G HA2 0.275 4.235 3.960 0.001 0.000 0.215 8 G HA3 0.275 4.235 3.960 0.001 0.000 0.215 8 G C -0.159 174.468 174.900 -0.455 0.000 1.345 8 G CA 0.802 45.639 45.100 -0.437 0.000 0.877 8 G HN 1.515 nan 8.290 nan 0.000 0.549 9 Q N -0.236 119.158 119.800 -0.677 0.000 3.048 9 Q HA 0.310 4.651 4.340 0.001 0.000 0.337 9 Q C -1.183 174.589 176.000 -0.381 0.000 0.845 9 Q CA -0.306 55.272 55.803 -0.375 0.000 0.942 9 Q CB 0.805 29.406 28.738 -0.227 0.000 1.454 9 Q HN 0.492 nan 8.270 nan 0.000 0.392 10 Y N 0.854 121.232 120.300 0.130 0.000 2.530 10 Y HA 0.190 4.740 4.550 0.001 0.000 0.340 10 Y C 0.530 176.482 175.900 0.086 0.000 1.247 10 Y CA -0.571 57.598 58.100 0.114 0.000 1.727 10 Y CB -0.226 38.314 38.460 0.134 0.000 1.613 10 Y HN 0.090 nan 8.280 nan 0.000 0.464 11 V N -0.254 119.732 119.914 0.120 0.000 3.078 11 V HA 0.782 4.903 4.120 0.001 0.000 0.311 11 V C -2.724 173.404 176.094 0.056 0.000 1.138 11 V CA -3.187 59.165 62.300 0.087 0.000 1.007 11 V CB 1.841 33.705 31.823 0.068 0.000 1.045 11 V HN 0.147 nan 8.190 nan 0.000 0.432 12 P HA 0.237 nan 4.420 nan 0.000 0.269 12 P C 0.648 177.946 177.300 -0.004 0.000 1.215 12 P CA 0.026 63.137 63.100 0.018 0.000 0.780 12 P CB 0.679 32.383 31.700 0.008 0.000 0.898 13 E N 1.326 121.524 120.200 -0.005 0.000 2.147 13 E HA -0.246 4.104 4.350 0.001 0.000 0.199 13 E C 1.450 178.022 176.600 -0.047 0.000 1.005 13 E CA 2.458 58.846 56.400 -0.019 0.000 0.810 13 E CB -0.893 28.802 29.700 -0.009 0.000 0.736 13 E HN 0.604 nan 8.360 nan 0.000 0.460 14 T N -1.733 112.795 114.554 -0.044 0.000 2.929 14 T HA -0.118 4.233 4.350 0.001 0.000 0.271 14 T C 1.765 176.374 174.700 -0.151 0.000 1.085 14 T CA 1.264 63.325 62.100 -0.065 0.000 1.125 14 T CB -0.218 68.630 68.868 -0.034 0.000 0.874 14 T HN 0.205 nan 8.240 nan 0.000 0.494 15 L N -0.290 120.848 121.223 -0.142 0.000 2.585 15 L HA 0.270 4.610 4.340 0.001 0.000 0.226 15 L C 2.055 178.783 176.870 -0.236 0.000 1.113 15 L CA -0.171 54.540 54.840 -0.216 0.000 0.876 15 L CB -0.142 41.882 42.059 -0.058 0.000 1.072 15 L HN 0.159 nan 8.230 nan 0.000 0.468 16 I N 0.340 120.807 120.570 -0.172 0.000 2.361 16 I HA -0.262 3.909 4.170 0.001 0.000 0.251 16 I C 2.410 178.399 176.117 -0.213 0.000 1.133 16 I CA 1.459 62.672 61.300 -0.145 0.000 1.413 16 I CB -0.723 37.222 38.000 -0.092 0.000 1.073 16 I HN 0.420 nan 8.210 nan 0.000 0.424 17 E N 1.069 121.083 120.200 -0.310 0.000 2.047 17 E HA -0.168 4.182 4.350 0.001 0.000 0.191 17 E C -0.493 175.774 176.600 -0.555 0.000 0.987 17 E CA 1.189 57.370 56.400 -0.365 0.000 0.799 17 E CB -0.504 28.990 29.700 -0.343 0.000 0.752 17 E HN 0.248 nan 8.360 nan 0.000 0.449 18 P HA -0.151 nan 4.420 nan 0.000 0.215 18 P C 1.215 178.315 177.300 -0.332 0.000 1.157 18 P CA 1.229 63.693 63.100 -1.060 0.000 0.863 18 P CB -0.016 30.494 31.700 -1.983 0.000 0.787 19 L N -1.441 119.662 121.223 -0.200 0.000 2.141 19 L HA -0.171 4.170 4.340 0.001 0.000 0.209 19 L C 2.370 179.221 176.870 -0.031 0.000 1.094 19 L CA 1.279 56.141 54.840 0.038 0.000 0.763 19 L CB -0.645 41.449 42.059 0.058 0.000 0.908 19 L HN -0.107 nan 8.230 nan 0.000 0.437 20 K N 0.722 121.070 120.400 -0.086 0.000 1.985 20 K HA -0.155 4.166 4.320 0.001 0.000 0.210 20 K C 1.974 178.553 176.600 -0.035 0.000 1.047 20 K CA 1.493 57.743 56.287 -0.061 0.000 0.932 20 K CB -0.164 32.288 32.500 -0.079 0.000 0.716 20 K HN 0.268 nan 8.250 nan 0.000 0.439 21 E N 0.025 120.203 120.200 -0.037 0.000 2.058 21 E HA -0.218 4.132 4.350 0.001 0.000 0.194 21 E C 1.922 178.554 176.600 0.053 0.000 0.997 21 E CA 1.258 57.669 56.400 0.018 0.000 0.801 21 E CB -0.288 29.442 29.700 0.051 0.000 0.746 21 E HN 0.105 nan 8.360 nan 0.000 0.450 22 L N 1.824 123.096 121.223 0.081 0.000 2.013 22 L HA -0.265 4.076 4.340 0.001 0.000 0.212 22 L C 2.274 179.150 176.870 0.010 0.000 1.073 22 L CA 2.099 56.994 54.840 0.092 0.000 0.753 22 L CB -0.483 41.650 42.059 0.123 0.000 0.890 22 L HN 0.116 nan 8.230 nan 0.000 0.432 23 E N -0.785 119.392 120.200 -0.038 0.000 2.153 23 E HA -0.292 4.058 4.350 0.001 0.000 0.194 23 E C 2.251 178.854 176.600 0.006 0.000 0.988 23 E CA 1.324 57.695 56.400 -0.048 0.000 0.811 23 E CB -0.085 29.587 29.700 -0.047 0.000 0.746 23 E HN 0.569 nan 8.360 nan 0.000 0.466 24 K N 0.002 120.400 120.400 -0.004 0.000 2.031 24 K HA -0.093 4.228 4.320 0.001 0.000 0.205 24 K C 2.078 178.649 176.600 -0.048 0.000 1.049 24 K CA 1.072 57.342 56.287 -0.028 0.000 0.939 24 K CB -0.170 32.315 32.500 -0.026 0.000 0.717 24 K HN 0.134 nan 8.250 nan 0.000 0.438 25 A N 0.365 123.193 122.820 0.013 0.000 1.908 25 A HA -0.212 4.109 4.320 0.001 0.000 0.218 25 A C 2.081 179.707 177.584 0.069 0.000 1.181 25 A CA 1.507 53.579 52.037 0.058 0.000 0.627 25 A CB -0.927 18.200 19.000 0.211 0.000 0.818 25 A HN 0.575 nan 8.150 nan 0.000 0.445 26 Y N 0.751 121.008 120.300 -0.072 0.000 2.145 26 Y HA -0.173 4.378 4.550 0.001 0.000 0.286 26 Y C 2.251 178.064 175.900 -0.145 0.000 1.145 26 Y CA 1.968 59.994 58.100 -0.124 0.000 1.148 26 Y CB -0.118 38.236 38.460 -0.176 0.000 0.981 26 Y HN 0.144 nan 8.280 nan 0.000 0.507 27 K N 0.642 120.951 120.400 -0.152 0.000 2.020 27 K HA -0.242 4.078 4.320 0.001 0.000 0.212 27 K C 2.161 178.591 176.600 -0.284 0.000 1.050 27 K CA 2.331 58.484 56.287 -0.222 0.000 0.929 27 K CB -0.514 31.914 32.500 -0.120 0.000 0.714 27 K HN 0.574 nan 8.250 nan 0.000 0.443 28 R N -0.537 119.769 120.500 -0.322 0.000 2.073 28 R HA -0.001 4.340 4.340 0.001 0.000 0.229 28 R C 2.378 178.434 176.300 -0.408 0.000 1.120 28 R CA 1.394 57.251 56.100 -0.404 0.000 0.967 28 R CB -0.834 29.118 30.300 -0.580 0.000 0.862 28 R HN 0.093 nan 8.270 nan 0.000 0.436 29 F N 1.775 121.549 119.950 -0.294 0.000 2.367 29 F HA 0.104 4.632 4.527 0.001 0.000 0.298 29 F C 2.603 178.094 175.800 -0.515 0.000 1.094 29 F CA 0.470 58.203 58.000 -0.444 0.000 1.409 29 F CB -0.066 38.494 39.000 -0.732 0.000 1.064 29 F HN -0.006 nan 8.300 nan 0.000 0.528 30 K N 0.902 121.023 120.400 -0.465 0.000 2.097 30 K HA -0.268 4.053 4.320 0.001 0.000 0.214 30 K C 0.224 176.718 176.600 -0.177 0.000 1.052 30 K CA 2.252 58.184 56.287 -0.591 0.000 0.932 30 K CB -0.337 31.633 32.500 -0.885 0.000 0.716 30 K HN 0.328 nan 8.250 nan 0.000 0.455 31 D N -0.221 120.107 120.400 -0.120 0.000 2.891 31 D HA 0.079 4.720 4.640 0.001 0.000 0.332 31 D C -1.026 175.299 176.300 0.042 0.000 1.369 31 D CA -0.514 53.480 54.000 -0.010 0.000 0.827 31 D CB -0.088 40.686 40.800 -0.044 0.000 1.141 31 D HN 0.138 nan 8.370 nan 0.000 0.464 32 D N 0.521 120.991 120.400 0.117 0.000 2.210 32 D HA 0.063 4.704 4.640 0.001 0.000 0.249 32 D C 1.357 177.772 176.300 0.191 0.000 1.078 32 D CA -0.280 53.823 54.000 0.171 0.000 0.875 32 D CB 1.516 42.511 40.800 0.323 0.000 1.175 32 D HN -0.216 nan 8.370 nan 0.000 0.440 33 E N 2.580 122.868 120.200 0.146 0.000 2.013 33 E HA -0.262 4.089 4.350 0.001 0.000 0.202 33 E C 1.444 178.130 176.600 0.143 0.000 1.018 33 E CA 1.242 57.714 56.400 0.120 0.000 0.834 33 E CB -0.354 29.401 29.700 0.093 0.000 0.770 33 E HN 0.669 nan 8.360 nan 0.000 0.459 34 E N 0.600 120.916 120.200 0.193 0.000 2.049 34 E HA -0.198 4.152 4.350 0.001 0.000 0.198 34 E C 1.956 178.703 176.600 0.245 0.000 1.007 34 E CA 1.150 57.687 56.400 0.228 0.000 0.809 34 E CB -0.632 29.253 29.700 0.308 0.000 0.749 34 E HN 0.234 nan 8.360 nan 0.000 0.450 35 F N 1.404 121.389 119.950 0.058 0.000 2.065 35 F HA -0.244 4.284 4.527 0.001 0.000 0.298 35 F C 1.964 177.662 175.800 -0.169 0.000 1.112 35 F CA 2.154 59.912 58.000 -0.404 0.000 1.212 35 F CB -0.552 38.071 39.000 -0.627 0.000 0.975 35 F HN 0.082 nan 8.300 nan 0.000 0.476 36 N N 0.363 119.036 118.700 -0.045 0.000 2.223 36 N HA -0.212 4.529 4.740 0.001 0.000 0.185 36 N C 2.140 177.597 175.510 -0.089 0.000 1.016 36 N CA 1.199 54.199 53.050 -0.084 0.000 0.863 36 N CB -0.474 38.058 38.487 0.075 0.000 0.983 36 N HN 0.400 nan 8.380 nan 0.000 0.429 37 R N 1.364 121.846 120.500 -0.031 0.000 2.081 37 R HA -0.079 4.261 4.340 0.001 0.000 0.235 37 R C 1.970 178.247 176.300 -0.038 0.000 1.131 37 R CA 1.269 57.361 56.100 -0.013 0.000 0.960 37 R CB 0.059 30.364 30.300 0.007 0.000 0.856 37 R HN 0.332 nan 8.270 nan 0.000 0.436 38 Q N 0.090 119.849 119.800 -0.068 0.000 2.083 38 Q HA -0.152 4.189 4.340 0.001 0.000 0.198 38 Q C 2.150 178.152 176.000 0.004 0.000 0.969 38 Q CA 1.069 56.848 55.803 -0.040 0.000 0.838 38 Q CB -0.075 28.723 28.738 0.100 0.000 0.900 38 Q HN 0.230 nan 8.270 nan 0.000 0.436 39 L N 1.673 122.761 121.223 -0.225 0.000 2.017 39 L HA -0.181 4.159 4.340 0.001 0.000 0.208 39 L C 1.615 178.471 176.870 -0.025 0.000 1.073 39 L CA 1.782 56.497 54.840 -0.208 0.000 0.745 39 L CB -0.634 41.139 42.059 -0.476 0.000 0.894 39 L HN 0.159 nan 8.230 nan 0.000 0.432 40 N N -1.366 117.318 118.700 -0.026 0.000 2.309 40 N HA -0.249 4.492 4.740 0.001 0.000 0.182 40 N C 1.856 177.386 175.510 0.032 0.000 1.018 40 N CA 1.603 54.665 53.050 0.020 0.000 0.876 40 N CB -0.515 37.985 38.487 0.022 0.000 0.972 40 N HN 0.586 nan 8.380 nan 0.000 0.434 41 Y N 0.715 120.939 120.300 -0.126 0.000 2.145 41 Y HA -0.225 4.326 4.550 0.000 0.000 0.286 41 Y C 1.947 177.719 175.900 -0.213 0.000 1.145 41 Y CA 1.518 59.492 58.100 -0.208 0.000 1.148 41 Y CB -0.537 37.715 38.460 -0.347 0.000 0.981 41 Y HN -0.033 nan 8.280 nan 0.000 0.507 42 Y N -0.970 119.342 120.300 0.020 0.000 2.200 42 Y HA -0.215 4.335 4.550 0.001 0.000 0.290 42 Y C 2.285 178.218 175.900 0.056 0.000 1.137 42 Y CA 0.719 58.800 58.100 -0.031 0.000 1.163 42 Y CB -0.444 38.000 38.460 -0.026 0.000 0.988 42 Y HN 0.152 nan 8.280 nan 0.000 0.518 43 L N 0.768 122.099 121.223 0.180 0.000 2.043 43 L HA -0.249 4.091 4.340 0.001 0.000 0.212 43 L C 2.306 179.223 176.870 0.078 0.000 1.075 43 L CA 1.777 56.703 54.840 0.143 0.000 0.752 43 L CB -0.994 41.119 42.059 0.089 0.000 0.891 43 L HN 0.213 nan 8.230 nan 0.000 0.432 44 K N -1.007 119.393 120.400 -0.001 0.000 1.995 44 K HA -0.118 4.202 4.320 0.001 0.000 0.207 44 K C 1.971 178.519 176.600 -0.087 0.000 1.041 44 K CA 1.715 57.974 56.287 -0.046 0.000 0.942 44 K CB -0.134 32.325 32.500 -0.068 0.000 0.731 44 K HN 0.415 nan 8.250 nan 0.000 0.439 45 T N -2.547 111.883 114.554 -0.206 0.000 2.995 45 T HA -0.097 4.253 4.350 0.001 0.000 0.269 45 T C 1.525 176.190 174.700 -0.059 0.000 1.091 45 T CA 0.504 62.476 62.100 -0.213 0.000 1.128 45 T CB -0.160 68.428 68.868 -0.466 0.000 0.891 45 T HN 0.553 nan 8.240 nan 0.000 0.492 46 W N 1.153 122.344 121.300 -0.181 0.000 2.922 46 W HA 0.617 5.277 4.660 0.000 0.000 0.260 46 W C 2.426 178.886 176.519 -0.098 0.000 1.088 46 W CA 0.351 57.627 57.345 -0.114 0.000 1.694 46 W CB -0.043 29.439 29.460 0.038 0.000 1.064 46 W HN 0.170 nan 8.180 nan 0.000 0.611 47 A N 0.001 122.895 122.820 0.124 0.000 2.072 47 A HA 0.344 4.664 4.320 0.001 0.000 0.216 47 A C 1.728 179.289 177.584 -0.037 0.000 1.156 47 A CA 1.352 53.391 52.037 0.003 0.000 0.701 47 A CB -1.095 18.008 19.000 0.171 0.000 0.816 47 A HN 0.955 nan 8.150 nan 0.000 0.458 48 G N -0.753 108.026 108.800 -0.035 0.000 2.137 48 G HA2 -0.231 3.729 3.960 0.001 0.000 0.237 48 G HA3 -0.231 3.729 3.960 0.001 0.000 0.237 48 G C 0.179 175.077 174.900 -0.003 0.000 1.002 48 G CA 0.161 45.237 45.100 -0.040 0.000 0.702 48 G HN 0.593 nan 8.290 nan 0.000 0.515 49 R N 0.768 121.280 120.500 0.020 0.000 2.582 49 R HA 0.409 4.749 4.340 0.001 0.000 0.271 49 R C -1.897 174.418 176.300 0.025 0.000 1.078 49 R CA -1.024 55.098 56.100 0.036 0.000 1.127 49 R CB 0.693 31.027 30.300 0.056 0.000 1.038 49 R HN 0.250 nan 8.270 nan 0.000 0.500 50 P HA 0.054 nan 4.420 nan 0.000 0.277 50 P C -0.563 176.765 177.300 0.047 0.000 1.240 50 P CA -0.368 62.761 63.100 0.048 0.000 0.798 50 P CB 0.999 32.730 31.700 0.051 0.000 0.979 51 T N -1.009 113.580 114.554 0.059 0.000 2.909 51 T HA 0.458 4.809 4.350 0.001 0.000 0.286 51 T C -2.196 172.550 174.700 0.076 0.000 1.002 51 T CA -2.135 60.000 62.100 0.059 0.000 1.074 51 T CB 0.629 69.535 68.868 0.064 0.000 0.984 51 T HN 0.283 nan 8.240 nan 0.000 0.495 52 P HA 0.260 nan 4.420 nan 0.000 0.273 52 P C -0.931 176.459 177.300 0.151 0.000 1.250 52 P CA -0.709 62.457 63.100 0.110 0.000 0.793 52 P CB 0.599 32.362 31.700 0.105 0.000 1.011 53 L N 2.310 123.647 121.223 0.190 0.000 2.298 53 L HA 0.439 4.780 4.340 0.001 0.000 0.284 53 L C -1.120 175.945 176.870 0.326 0.000 1.013 53 L CA -0.952 54.038 54.840 0.250 0.000 0.824 53 L CB 0.446 42.643 42.059 0.230 0.000 1.221 53 L HN 0.251 nan 8.230 nan 0.000 0.418 54 Y N 5.015 125.415 120.300 0.167 0.000 2.387 54 Y HA 0.421 4.972 4.550 0.001 0.000 0.336 54 Y C -1.467 174.428 175.900 -0.009 0.000 1.067 54 Y CA -0.781 57.371 58.100 0.087 0.000 1.114 54 Y CB 1.224 39.699 38.460 0.026 0.000 1.208 54 Y HN 0.619 nan 8.280 nan 0.000 0.458 55 Y N 5.760 125.361 120.300 -1.165 0.000 2.454 55 Y HA 0.586 5.137 4.550 0.001 0.000 0.345 55 Y C -0.298 174.770 175.900 -1.387 0.000 0.970 55 Y CA -1.745 55.556 58.100 -1.332 0.000 1.204 55 Y CB 0.453 38.265 38.460 -1.079 0.000 1.122 55 Y HN 0.772 nan 8.280 nan 0.000 0.514 56 A N 7.611 129.752 122.820 -1.133 0.000 3.026 56 A HA 0.127 4.447 4.320 0.001 0.000 0.272 56 A C 1.788 178.827 177.584 -0.908 0.000 1.782 56 A CA -0.204 51.400 52.037 -0.723 0.000 1.451 56 A CB -0.525 18.331 19.000 -0.241 0.000 1.081 56 A HN 0.882 nan 8.150 nan 0.000 0.611 57 K N 1.477 121.154 120.400 -1.204 0.000 2.009 57 K HA -0.187 4.134 4.320 0.001 0.000 0.210 57 K C 1.874 178.212 176.600 -0.436 0.000 1.049 57 K CA 1.735 57.410 56.287 -1.019 0.000 0.929 57 K CB -0.152 31.978 32.500 -0.617 0.000 0.714 57 K HN 0.742 nan 8.250 nan 0.000 0.440 58 R N 0.347 120.684 120.500 -0.272 0.000 2.091 58 R HA -0.163 4.178 4.340 0.001 0.000 0.238 58 R C 2.469 178.689 176.300 -0.134 0.000 1.136 58 R CA 1.360 57.372 56.100 -0.147 0.000 0.959 58 R CB -0.476 29.773 30.300 -0.086 0.000 0.856 58 R HN 0.168 nan 8.270 nan 0.000 0.437 59 L N 1.095 122.227 121.223 -0.152 0.000 2.017 59 L HA -0.183 4.157 4.340 0.001 0.000 0.208 59 L C 2.514 179.317 176.870 -0.113 0.000 1.073 59 L CA 2.424 57.197 54.840 -0.110 0.000 0.745 59 L CB -0.937 41.065 42.059 -0.095 0.000 0.894 59 L HN 0.324 nan 8.230 nan 0.000 0.432 60 T N -3.012 111.439 114.554 -0.170 0.000 2.635 60 T HA -0.257 4.094 4.350 0.001 0.000 0.267 60 T C 1.674 176.337 174.700 -0.061 0.000 1.040 60 T CA 1.728 63.767 62.100 -0.102 0.000 1.156 60 T CB -0.805 68.007 68.868 -0.095 0.000 0.863 60 T HN 0.550 nan 8.240 nan 0.000 0.430 61 E N 1.171 121.325 120.200 -0.076 0.000 2.110 61 E HA -0.109 4.242 4.350 0.001 0.000 0.193 61 E C 2.305 178.883 176.600 -0.036 0.000 0.988 61 E CA 1.087 57.462 56.400 -0.042 0.000 0.804 61 E CB -0.207 29.467 29.700 -0.044 0.000 0.745 61 E HN 0.598 nan 8.360 nan 0.000 0.458 62 K N 0.878 121.251 120.400 -0.046 0.000 2.280 62 K HA -0.126 4.195 4.320 0.001 0.000 0.202 62 K C 1.736 178.319 176.600 -0.029 0.000 1.047 62 K CA 0.966 57.232 56.287 -0.035 0.000 0.942 62 K CB 0.106 32.584 32.500 -0.037 0.000 0.739 62 K HN 0.135 nan 8.250 nan 0.000 0.457 63 I N -0.608 119.942 120.570 -0.032 0.000 3.265 63 I HA 0.070 4.240 4.170 0.001 0.000 0.282 63 I C 0.923 177.027 176.117 -0.022 0.000 1.207 63 I CA 0.406 61.690 61.300 -0.028 0.000 1.449 63 I CB 0.305 38.286 38.000 -0.032 0.000 1.121 63 I HN 0.337 nan 8.210 nan 0.000 0.442 64 G N 1.873 110.663 108.800 -0.018 0.000 2.323 64 G HA2 -0.182 3.779 3.960 0.001 0.000 0.292 64 G HA3 -0.182 3.779 3.960 0.001 0.000 0.292 64 G C 0.313 175.209 174.900 -0.007 0.000 1.040 64 G CA 0.269 45.363 45.100 -0.010 0.000 0.942 64 G HN 0.566 nan 8.290 nan 0.000 0.506 65 G N -0.732 108.066 108.800 -0.004 0.000 3.340 65 G HA2 0.894 4.855 3.960 0.001 0.000 0.176 65 G HA3 0.894 4.855 3.960 0.001 0.000 0.176 65 G C 0.520 175.428 174.900 0.013 0.000 1.103 65 G CA 0.393 45.491 45.100 -0.003 0.000 0.779 65 G HN 1.552 nan 8.290 nan 0.000 0.673 66 A N -0.266 122.562 122.820 0.014 0.000 2.366 66 A HA 0.527 4.847 4.320 0.001 0.000 0.249 66 A C 0.271 177.899 177.584 0.075 0.000 1.084 66 A CA -0.049 52.009 52.037 0.036 0.000 0.794 66 A CB 0.016 19.031 19.000 0.024 0.000 1.034 66 A HN 0.456 nan 8.150 nan 0.000 0.491 67 K N 0.452 120.927 120.400 0.125 0.000 2.350 67 K HA 0.317 4.637 4.320 0.001 0.000 0.279 67 K C -0.971 175.774 176.600 0.242 0.000 1.027 67 K CA 0.556 56.987 56.287 0.240 0.000 0.969 67 K CB 0.522 33.193 32.500 0.284 0.000 0.954 67 K HN 0.519 nan 8.250 nan 0.000 0.474 68 I N 3.946 124.627 120.570 0.184 0.000 2.328 68 I HA 0.187 4.357 4.170 0.001 0.000 0.287 68 I C -0.793 175.377 176.117 0.088 0.000 1.012 68 I CA -0.749 60.621 61.300 0.116 0.000 1.195 68 I CB 0.480 38.484 38.000 0.008 0.000 1.350 68 I HN 0.437 nan 8.210 nan 0.000 0.464 69 Y N 6.229 126.579 120.300 0.083 0.000 2.420 69 Y HA 0.599 5.149 4.550 0.001 0.000 0.334 69 Y C -0.231 175.716 175.900 0.077 0.000 1.094 69 Y CA -0.623 57.528 58.100 0.084 0.000 1.126 69 Y CB 1.754 40.254 38.460 0.067 0.000 1.217 69 Y HN 0.307 nan 8.280 nan 0.000 0.462 70 L N 3.815 125.181 121.223 0.238 0.000 2.325 70 L HA 0.434 4.775 4.340 0.001 0.000 0.281 70 L C -0.602 176.395 176.870 0.211 0.000 1.004 70 L CA -1.244 53.719 54.840 0.205 0.000 0.823 70 L CB 1.492 43.676 42.059 0.209 0.000 1.236 70 L HN 0.361 nan 8.230 nan 0.000 0.415 71 K N 3.798 124.295 120.400 0.162 0.000 2.310 71 K HA 0.157 4.478 4.320 0.001 0.000 0.290 71 K C 0.103 176.772 176.600 0.115 0.000 1.077 71 K CA -0.126 56.247 56.287 0.144 0.000 0.922 71 K CB 0.418 32.992 32.500 0.122 0.000 1.057 71 K HN 0.273 nan 8.250 nan 0.000 0.479 72 R N 4.280 124.849 120.500 0.115 0.000 4.576 72 R HA 0.021 4.362 4.340 0.001 0.000 0.185 72 R C -0.104 176.233 176.300 0.061 0.000 1.837 72 R CA -0.044 56.103 56.100 0.077 0.000 1.520 72 R CB -0.049 30.290 30.300 0.064 0.000 1.403 72 R HN 0.630 nan 8.270 nan 0.000 0.831 73 E N 0.949 121.189 120.200 0.068 0.000 2.418 73 E HA -0.135 4.216 4.350 0.001 0.000 0.197 73 E C 1.042 177.678 176.600 0.060 0.000 1.026 73 E CA 0.637 57.082 56.400 0.075 0.000 0.862 73 E CB 0.175 29.934 29.700 0.098 0.000 0.799 73 E HN 0.530 nan 8.360 nan 0.000 0.518 74 D N 0.072 120.496 120.400 0.040 0.000 2.310 74 D HA -0.156 4.485 4.640 0.001 0.000 0.212 74 D C 1.615 177.914 176.300 -0.001 0.000 0.965 74 D CA 0.413 54.424 54.000 0.018 0.000 0.879 74 D CB -0.178 40.622 40.800 -0.001 0.000 0.921 74 D HN 0.261 nan 8.370 nan 0.000 0.510 75 L N 0.814 122.039 121.223 0.003 0.000 2.592 75 L HA 0.154 4.495 4.340 0.001 0.000 0.227 75 L C 1.129 177.996 176.870 -0.006 0.000 1.127 75 L CA -0.281 54.553 54.840 -0.009 0.000 0.884 75 L CB 0.610 42.663 42.059 -0.009 0.000 1.065 75 L HN -0.063 nan 8.230 nan 0.000 0.457 76 V N -0.075 119.842 119.914 0.005 0.000 2.881 76 V HA -0.001 4.120 4.120 0.001 0.000 0.303 76 V C 0.298 176.379 176.094 -0.021 0.000 1.070 76 V CA -0.449 61.853 62.300 0.003 0.000 1.074 76 V CB 0.760 32.598 31.823 0.026 0.000 1.012 76 V HN 0.294 nan 8.190 nan 0.000 0.482 77 H N 4.528 123.482 119.070 -0.194 0.000 3.125 77 H HA 0.337 4.894 4.556 0.001 0.000 0.310 77 H C 1.049 176.219 175.328 -0.263 0.000 0.980 77 H CA 1.298 57.155 56.048 -0.318 0.000 1.422 77 H CB 0.306 29.696 29.762 -0.620 0.000 1.432 77 H HN 1.123 nan 8.280 nan 0.000 0.577 78 G N 2.592 111.124 108.800 -0.447 0.000 2.284 78 G HA2 -0.169 3.791 3.960 0.001 0.000 0.216 78 G HA3 -0.169 3.791 3.960 0.001 0.000 0.216 78 G C 1.254 176.050 174.900 -0.172 0.000 1.009 78 G CA 0.595 45.463 45.100 -0.387 0.000 0.625 78 G HN 1.809 nan 8.290 nan 0.000 0.501 79 G N -0.784 107.952 108.800 -0.108 0.000 2.194 79 G HA2 0.358 4.318 3.960 0.001 0.000 0.236 79 G HA3 0.358 4.318 3.960 0.001 0.000 0.236 79 G C 0.605 175.494 174.900 -0.019 0.000 0.987 79 G CA 1.189 46.259 45.100 -0.050 0.000 0.635 79 G HN 2.494 nan 8.290 nan 0.000 0.520 80 A N -0.669 122.132 122.820 -0.031 0.000 2.594 80 A HA 0.740 5.060 4.320 0.001 0.000 0.291 80 A C 0.874 178.460 177.584 0.003 0.000 1.105 80 A CA 0.562 52.605 52.037 0.010 0.000 0.694 80 A CB 0.294 19.275 19.000 -0.032 0.000 1.291 80 A HN 1.056 nan 8.150 nan 0.000 0.410 81 H N 0.444 119.521 119.070 0.012 0.000 2.489 81 H HA -0.048 4.509 4.556 0.001 0.000 0.293 81 H C 0.984 176.334 175.328 0.036 0.000 1.066 81 H CA 1.656 57.720 56.048 0.026 0.000 1.305 81 H CB -0.165 29.611 29.762 0.024 0.000 1.386 81 H HN 0.725 nan 8.280 nan 0.000 0.551 82 K N 0.420 120.453 120.400 -0.612 0.000 2.127 82 K HA -0.135 4.186 4.320 0.001 0.000 0.208 82 K C 2.146 178.701 176.600 -0.076 0.000 1.047 82 K CA 2.012 58.087 56.287 -0.353 0.000 0.927 82 K CB -0.110 32.249 32.500 -0.235 0.000 0.716 82 K HN 0.314 nan 8.250 nan 0.000 0.450 83 T N 1.528 116.054 114.554 -0.047 0.000 2.737 83 T HA -0.133 4.217 4.350 0.001 0.000 0.269 83 T C 1.462 176.213 174.700 0.084 0.000 1.040 83 T CA 1.391 63.513 62.100 0.036 0.000 1.142 83 T CB -0.269 68.605 68.868 0.010 0.000 0.861 83 T HN 0.267 nan 8.240 nan 0.000 0.456 84 N N 1.563 120.310 118.700 0.079 0.000 2.069 84 N HA -0.108 4.633 4.740 0.001 0.000 0.191 84 N C 1.865 177.401 175.510 0.043 0.000 1.031 84 N CA 1.247 54.352 53.050 0.091 0.000 0.852 84 N CB -0.624 37.945 38.487 0.136 0.000 1.018 84 N HN 0.396 nan 8.380 nan 0.000 0.423 85 N N 0.908 119.654 118.700 0.078 0.000 2.216 85 N HA -0.019 4.722 4.740 0.001 0.000 0.183 85 N C 1.518 177.036 175.510 0.014 0.000 1.017 85 N CA 1.298 54.404 53.050 0.094 0.000 0.861 85 N CB -0.219 38.345 38.487 0.128 0.000 0.986 85 N HN 0.206 nan 8.380 nan 0.000 0.428 86 A N 0.667 123.511 122.820 0.040 0.000 1.902 86 A HA -0.045 4.275 4.320 0.001 0.000 0.217 86 A C 2.315 179.863 177.584 -0.062 0.000 1.181 86 A CA 1.150 53.204 52.037 0.028 0.000 0.623 86 A CB -0.764 18.260 19.000 0.040 0.000 0.818 86 A HN 0.387 nan 8.150 nan 0.000 0.443 87 I N -0.350 120.176 120.570 -0.073 0.000 2.142 87 I HA -0.218 3.952 4.170 0.001 0.000 0.240 87 I C 2.779 178.708 176.117 -0.313 0.000 1.078 87 I CA 1.206 62.407 61.300 -0.165 0.000 1.343 87 I CB -0.895 37.073 38.000 -0.054 0.000 1.046 87 I HN 0.402 nan 8.210 nan 0.000 0.405 88 G N 0.121 108.593 108.800 -0.548 0.000 2.491 88 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 88 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 88 G C 1.581 176.080 174.900 -0.668 0.000 1.180 88 G CA 0.650 45.032 45.100 -1.197 0.000 0.774 88 G HN 0.425 nan 8.290 nan 0.000 0.562 89 Q N 0.001 119.614 119.800 -0.312 0.000 2.123 89 Q HA 0.099 4.440 4.340 0.001 0.000 0.199 89 Q C 3.017 179.025 176.000 0.014 0.000 0.966 89 Q CA 0.946 56.789 55.803 0.067 0.000 0.845 89 Q CB -0.185 28.726 28.738 0.288 0.000 0.907 89 Q HN 0.490 nan 8.270 nan 0.000 0.439 90 A N 0.821 123.629 122.820 -0.020 0.000 1.930 90 A HA -0.153 4.167 4.320 0.001 0.000 0.217 90 A C 2.002 179.564 177.584 -0.037 0.000 1.175 90 A CA 0.941 52.965 52.037 -0.022 0.000 0.627 90 A CB -0.430 18.514 19.000 -0.092 0.000 0.815 90 A HN 0.321 nan 8.150 nan 0.000 0.443 91 L N -0.844 120.344 121.223 -0.058 0.000 2.109 91 L HA -0.037 4.304 4.340 0.001 0.000 0.207 91 L C 2.175 179.208 176.870 0.272 0.000 1.086 91 L CA 1.660 56.532 54.840 0.052 0.000 0.760 91 L CB -0.543 41.451 42.059 -0.108 0.000 0.910 91 L HN 0.355 nan 8.230 nan 0.000 0.437 92 L N -0.037 121.314 121.223 0.214 0.000 2.017 92 L HA -0.062 4.278 4.340 0.001 0.000 0.208 92 L C 2.527 179.385 176.870 -0.019 0.000 1.073 92 L CA 2.101 56.960 54.840 0.033 0.000 0.745 92 L CB -1.212 40.851 42.059 0.007 0.000 0.894 92 L HN 0.252 nan 8.230 nan 0.000 0.432 93 A N -0.331 122.427 122.820 -0.102 0.000 1.917 93 A HA -0.315 4.006 4.320 0.001 0.000 0.219 93 A C 2.475 180.097 177.584 0.062 0.000 1.182 93 A CA 2.231 54.224 52.037 -0.073 0.000 0.633 93 A CB -0.751 18.236 19.000 -0.022 0.000 0.819 93 A HN 0.557 nan 8.150 nan 0.000 0.448 94 K N -1.506 118.950 120.400 0.093 0.000 2.032 94 K HA -0.177 4.143 4.320 0.001 0.000 0.209 94 K C 1.619 178.254 176.600 0.058 0.000 1.048 94 K CA 1.848 58.185 56.287 0.083 0.000 0.927 94 K CB -0.359 32.199 32.500 0.097 0.000 0.712 94 K HN 0.351 nan 8.250 nan 0.000 0.441 95 F N 0.809 120.673 119.950 -0.144 0.000 2.333 95 F HA -0.050 4.478 4.527 0.001 0.000 0.300 95 F C 1.872 177.588 175.800 -0.141 0.000 1.083 95 F CA 1.002 58.819 58.000 -0.305 0.000 1.395 95 F CB -0.090 38.386 39.000 -0.873 0.000 1.056 95 F HN 0.031 nan 8.300 nan 0.000 0.529 96 M N -0.858 118.819 119.600 0.129 0.000 2.505 96 M HA 0.241 4.722 4.480 0.001 0.000 0.230 96 M C 1.605 177.996 176.300 0.152 0.000 1.153 96 M CA 0.597 56.014 55.300 0.196 0.000 0.997 96 M CB -0.289 32.426 32.600 0.192 0.000 1.606 96 M HN 0.246 nan 8.290 nan 0.000 0.481 97 G N 0.861 109.719 108.800 0.096 0.000 2.168 97 G HA2 -0.232 3.728 3.960 0.001 0.000 0.263 97 G HA3 -0.232 3.728 3.960 0.001 0.000 0.263 97 G C 0.151 175.121 174.900 0.117 0.000 0.977 97 G CA 0.116 45.265 45.100 0.082 0.000 0.659 97 G HN 0.355 nan 8.290 nan 0.000 0.533 98 K N 0.392 120.879 120.400 0.145 0.000 2.319 98 K HA 0.427 4.748 4.320 0.001 0.000 0.265 98 K C 1.465 178.160 176.600 0.158 0.000 1.000 98 K CA 0.779 57.179 56.287 0.188 0.000 0.943 98 K CB 0.817 33.446 32.500 0.215 0.000 0.950 98 K HN 0.564 nan 8.250 nan 0.000 0.485 99 T N -1.803 112.874 114.554 0.204 0.000 3.058 99 T HA 0.200 4.551 4.350 0.001 0.000 0.278 99 T C 0.399 175.202 174.700 0.171 0.000 0.974 99 T CA -0.444 61.753 62.100 0.161 0.000 0.893 99 T CB 0.366 69.326 68.868 0.155 0.000 1.138 99 T HN 0.536 nan 8.240 nan 0.000 0.529 100 R N 0.518 121.129 120.500 0.185 0.000 2.698 100 R HA 0.737 5.078 4.340 0.001 0.000 0.275 100 R C -2.012 174.357 176.300 0.116 0.000 1.001 100 R CA -0.918 55.266 56.100 0.140 0.000 0.896 100 R CB 1.523 31.919 30.300 0.161 0.000 1.218 100 R HN 0.226 nan 8.270 nan 0.000 0.462 101 L N 5.888 127.161 121.223 0.082 0.000 2.385 101 L HA 0.610 4.950 4.340 0.001 0.000 0.273 101 L C -0.337 176.561 176.870 0.046 0.000 0.990 101 L CA -0.980 53.902 54.840 0.070 0.000 0.821 101 L CB 1.959 44.047 42.059 0.049 0.000 1.279 101 L HN 0.623 nan 8.230 nan 0.000 0.412 102 I N 0.360 120.962 120.570 0.053 0.000 2.892 102 I HA 1.053 5.223 4.170 0.001 0.000 0.306 102 I C -0.595 175.598 176.117 0.127 0.000 1.078 102 I CA -0.632 60.741 61.300 0.121 0.000 1.032 102 I CB 2.307 40.449 38.000 0.237 0.000 1.229 102 I HN 0.655 nan 8.210 nan 0.000 0.435 103 A N 2.748 125.685 122.820 0.194 0.000 2.567 103 A HA 0.597 4.917 4.320 0.001 0.000 0.291 103 A C -1.467 176.269 177.584 0.254 0.000 1.048 103 A CA -0.686 51.457 52.037 0.177 0.000 0.661 103 A CB 1.524 20.528 19.000 0.008 0.000 1.288 103 A HN 0.897 nan 8.150 nan 0.000 0.424 104 E N 0.304 120.659 120.200 0.258 0.000 2.249 104 E HA 0.805 5.156 4.350 0.001 0.000 0.263 104 E C -0.915 175.810 176.600 0.210 0.000 0.950 104 E CA -0.616 55.926 56.400 0.237 0.000 0.827 104 E CB 2.137 31.957 29.700 0.200 0.000 1.220 104 E HN 0.758 nan 8.360 nan 0.000 0.411 105 T N -0.472 114.182 114.554 0.167 0.000 2.942 105 T HA 0.520 4.871 4.350 0.001 0.000 0.327 105 T C 0.021 174.795 174.700 0.123 0.000 1.360 105 T CA 0.065 62.256 62.100 0.152 0.000 1.055 105 T CB 1.366 70.297 68.868 0.105 0.000 1.261 105 T HN 0.542 nan 8.240 nan 0.000 0.485 106 G N 1.240 110.112 108.800 0.121 0.000 2.760 106 G HA2 0.411 4.371 3.960 0.001 0.000 0.214 106 G HA3 0.411 4.371 3.960 0.001 0.000 0.214 106 G C 1.606 176.550 174.900 0.074 0.000 1.212 106 G CA 0.737 45.896 45.100 0.098 0.000 0.858 106 G HN 0.932 nan 8.290 nan 0.000 0.611 107 A N -0.615 122.247 122.820 0.070 0.000 2.016 107 A HA 0.425 4.745 4.320 0.001 0.000 0.217 107 A C 2.064 179.676 177.584 0.047 0.000 1.162 107 A CA 1.862 53.930 52.037 0.052 0.000 0.662 107 A CB -0.445 18.581 19.000 0.044 0.000 0.812 107 A HN 1.793 nan 8.150 nan 0.000 0.450 108 G N -1.892 106.940 108.800 0.053 0.000 2.201 108 G HA2 -0.268 3.692 3.960 0.001 0.000 0.212 108 G HA3 -0.268 3.692 3.960 0.001 0.000 0.212 108 G C 0.876 175.789 174.900 0.021 0.000 0.994 108 G CA 0.575 45.697 45.100 0.036 0.000 0.644 108 G HN 0.457 nan 8.290 nan 0.000 0.508 109 Q N -0.791 119.029 119.800 0.033 0.000 2.050 109 Q HA -0.060 4.280 4.340 0.001 0.000 0.202 109 Q C 2.045 178.058 176.000 0.023 0.000 0.980 109 Q CA 1.731 57.544 55.803 0.016 0.000 0.840 109 Q CB -0.195 28.552 28.738 0.016 0.000 0.898 109 Q HN 0.703 nan 8.270 nan 0.000 0.424 110 H N -0.124 118.920 119.070 -0.043 0.000 2.457 110 H HA 0.000 4.557 4.556 0.001 0.000 0.294 110 H C 1.881 177.185 175.328 -0.040 0.000 1.064 110 H CA 1.534 57.548 56.048 -0.057 0.000 1.330 110 H CB -0.376 29.355 29.762 -0.052 0.000 1.395 110 H HN 0.278 nan 8.280 nan 0.000 0.541 111 G N -0.202 108.531 108.800 -0.111 0.000 2.422 111 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 111 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 111 G C 1.781 176.590 174.900 -0.152 0.000 1.146 111 G CA 1.056 46.064 45.100 -0.152 0.000 0.769 111 G HN 0.382 nan 8.290 nan 0.000 0.547 112 V N 1.311 121.162 119.914 -0.105 0.000 2.379 112 V HA -0.048 4.072 4.120 0.001 0.000 0.245 112 V C 3.290 179.320 176.094 -0.105 0.000 1.044 112 V CA 1.848 64.092 62.300 -0.092 0.000 1.036 112 V CB -0.650 31.130 31.823 -0.070 0.000 0.664 112 V HN 0.460 nan 8.190 nan 0.000 0.453 113 A N -0.247 122.502 122.820 -0.118 0.000 1.902 113 A HA -0.229 4.091 4.320 0.001 0.000 0.217 113 A C 2.395 179.922 177.584 -0.096 0.000 1.181 113 A CA 2.535 54.521 52.037 -0.086 0.000 0.623 113 A CB -0.969 18.002 19.000 -0.048 0.000 0.818 113 A HN 0.492 nan 8.150 nan 0.000 0.443 114 T N 0.210 114.623 114.554 -0.235 0.000 2.746 114 T HA -0.009 4.342 4.350 0.001 0.000 0.267 114 T C 2.204 176.836 174.700 -0.113 0.000 1.039 114 T CA 1.536 63.506 62.100 -0.216 0.000 1.142 114 T CB -0.408 68.243 68.868 -0.361 0.000 0.866 114 T HN 0.597 nan 8.240 nan 0.000 0.444 115 A N 1.309 124.068 122.820 -0.103 0.000 1.930 115 A HA -0.030 4.291 4.320 0.001 0.000 0.217 115 A C 2.328 179.905 177.584 -0.011 0.000 1.175 115 A CA 1.372 53.372 52.037 -0.061 0.000 0.627 115 A CB -0.632 18.327 19.000 -0.067 0.000 0.815 115 A HN 0.452 nan 8.150 nan 0.000 0.443 116 M N -0.526 119.091 119.600 0.029 0.000 2.067 116 M HA -0.158 4.323 4.480 0.001 0.000 0.260 116 M C 2.593 178.997 176.300 0.174 0.000 1.069 116 M CA 1.600 57.007 55.300 0.179 0.000 1.117 116 M CB -0.512 32.225 32.600 0.227 0.000 1.334 116 M HN 0.464 nan 8.290 nan 0.000 0.407 117 A N 0.599 123.462 122.820 0.071 0.000 1.902 117 A HA -0.060 4.260 4.320 0.001 0.000 0.217 117 A C 2.353 179.824 177.584 -0.188 0.000 1.181 117 A CA 1.968 53.919 52.037 -0.144 0.000 0.623 117 A CB -1.565 17.378 19.000 -0.095 0.000 0.818 117 A HN 0.567 nan 8.150 nan 0.000 0.443 118 G N -0.494 108.248 108.800 -0.098 0.000 2.421 118 G HA2 -0.011 3.949 3.960 0.001 0.000 0.216 118 G HA3 -0.011 3.949 3.960 0.001 0.000 0.216 118 G C 1.768 176.613 174.900 -0.091 0.000 1.171 118 G CA 1.505 46.555 45.100 -0.083 0.000 0.775 118 G HN 0.823 nan 8.290 nan 0.000 0.543 119 A N 0.431 123.214 122.820 -0.060 0.000 1.933 119 A HA 0.043 4.363 4.320 0.001 0.000 0.218 119 A C 2.360 179.890 177.584 -0.090 0.000 1.175 119 A CA 1.740 53.753 52.037 -0.040 0.000 0.628 119 A CB -0.427 18.585 19.000 0.019 0.000 0.814 119 A HN 0.524 nan 8.150 nan 0.000 0.444 120 L N -0.466 120.637 121.223 -0.200 0.000 2.046 120 L HA -0.034 4.306 4.340 0.001 0.000 0.208 120 L C 1.610 178.266 176.870 -0.357 0.000 1.077 120 L CA 1.820 56.416 54.840 -0.406 0.000 0.747 120 L CB -0.302 41.151 42.059 -1.010 0.000 0.896 120 L HN 0.366 nan 8.230 nan 0.000 0.432 121 L N -0.293 120.737 121.223 -0.321 0.000 2.741 121 L HA 0.366 4.706 4.340 0.001 0.000 0.237 121 L C 1.281 178.078 176.870 -0.121 0.000 1.178 121 L CA 0.244 54.940 54.840 -0.239 0.000 0.973 121 L CB -0.764 41.141 42.059 -0.257 0.000 1.255 121 L HN 0.453 nan 8.230 nan 0.000 0.498 122 G N 0.836 109.579 108.800 -0.095 0.000 2.283 122 G HA2 -0.306 3.654 3.960 0.001 0.000 0.280 122 G HA3 -0.306 3.654 3.960 0.001 0.000 0.280 122 G C 0.195 175.077 174.900 -0.029 0.000 1.029 122 G CA 0.396 45.467 45.100 -0.049 0.000 0.840 122 G HN 0.335 nan 8.290 nan 0.000 0.505 123 M N -0.844 118.738 119.600 -0.031 0.000 2.528 123 M HA 0.391 4.872 4.480 0.001 0.000 0.318 123 M C 0.727 177.033 176.300 0.010 0.000 1.195 123 M CA -0.653 54.648 55.300 0.002 0.000 1.000 123 M CB 1.480 34.086 32.600 0.010 0.000 1.615 123 M HN 0.091 nan 8.290 nan 0.000 0.469 124 K N 1.380 121.803 120.400 0.038 0.000 2.270 124 K HA 0.475 4.796 4.320 0.001 0.000 0.276 124 K C -1.572 175.044 176.600 0.026 0.000 1.023 124 K CA -0.267 56.041 56.287 0.035 0.000 0.955 124 K CB 0.815 33.355 32.500 0.065 0.000 0.975 124 K HN 0.484 nan 8.250 nan 0.000 0.471 125 V N 3.864 123.778 119.914 0.001 0.000 2.525 125 V HA 0.233 4.354 4.120 0.001 0.000 0.299 125 V C -1.156 174.913 176.094 -0.040 0.000 1.034 125 V CA -0.981 61.308 62.300 -0.017 0.000 0.863 125 V CB 1.842 33.643 31.823 -0.037 0.000 0.999 125 V HN 0.775 nan 8.190 nan 0.000 0.423 126 D N 4.524 124.894 120.400 -0.049 0.000 2.391 126 D HA 0.577 5.217 4.640 0.001 0.000 0.245 126 D C -0.764 175.444 176.300 -0.153 0.000 1.069 126 D CA -0.265 53.658 54.000 -0.128 0.000 0.831 126 D CB 2.316 43.029 40.800 -0.145 0.000 1.204 126 D HN 0.193 nan 8.370 nan 0.000 0.503 127 I N 2.838 123.286 120.570 -0.202 0.000 2.382 127 I HA 0.223 4.393 4.170 0.001 0.000 0.286 127 I C -0.531 175.475 176.117 -0.185 0.000 1.002 127 I CA -0.705 60.520 61.300 -0.126 0.000 1.135 127 I CB 0.503 38.457 38.000 -0.076 0.000 1.288 127 I HN 0.229 nan 8.210 nan 0.000 0.448 128 Y N 6.583 126.898 120.300 0.026 0.000 2.336 128 Y HA 0.513 5.064 4.550 0.001 0.000 0.335 128 Y C 0.503 176.424 175.900 0.034 0.000 1.046 128 Y CA -0.108 58.010 58.100 0.029 0.000 1.198 128 Y CB 1.393 39.872 38.460 0.032 0.000 1.182 128 Y HN 0.510 nan 8.280 nan 0.000 0.502 129 M N 2.332 122.019 119.600 0.146 0.000 2.324 129 M HA 0.553 5.033 4.480 0.001 0.000 0.288 129 M C -0.284 176.070 176.300 0.090 0.000 1.097 129 M CA -0.642 54.720 55.300 0.103 0.000 0.928 129 M CB 1.560 34.196 32.600 0.060 0.000 1.648 129 M HN 0.781 nan 8.290 nan 0.000 0.460 130 G N 2.218 111.066 108.800 0.080 0.000 2.340 130 G HA2 0.369 4.330 3.960 0.001 0.000 0.245 130 G HA3 0.369 4.330 3.960 0.001 0.000 0.245 130 G C 0.810 175.739 174.900 0.048 0.000 1.294 130 G CA 0.280 45.417 45.100 0.062 0.000 0.896 130 G HN 1.079 nan 8.290 nan 0.000 0.522 131 A N 2.282 125.128 122.820 0.043 0.000 1.958 131 A HA -0.168 4.152 4.320 0.001 0.000 0.221 131 A C 2.162 179.763 177.584 0.028 0.000 1.178 131 A CA 2.265 54.322 52.037 0.033 0.000 0.642 131 A CB -0.362 18.655 19.000 0.029 0.000 0.816 131 A HN 0.722 nan 8.150 nan 0.000 0.453 132 E N 0.462 120.678 120.200 0.027 0.000 2.058 132 E HA -0.196 4.154 4.350 0.001 0.000 0.194 132 E C 1.483 178.099 176.600 0.026 0.000 0.997 132 E CA 1.873 58.286 56.400 0.022 0.000 0.801 132 E CB -0.216 29.495 29.700 0.019 0.000 0.746 132 E HN 0.624 nan 8.360 nan 0.000 0.450 133 D N -0.628 119.792 120.400 0.033 0.000 2.123 133 D HA -0.096 4.545 4.640 0.001 0.000 0.200 133 D C 2.080 178.401 176.300 0.035 0.000 0.976 133 D CA 0.956 54.978 54.000 0.036 0.000 0.831 133 D CB -0.129 40.698 40.800 0.045 0.000 0.974 133 D HN 0.108 nan 8.370 nan 0.000 0.469 134 V N 1.775 121.710 119.914 0.035 0.000 2.250 134 V HA -0.265 3.856 4.120 0.001 0.000 0.250 134 V C 1.940 178.052 176.094 0.029 0.000 1.060 134 V CA 1.829 64.149 62.300 0.033 0.000 1.030 134 V CB -0.504 31.338 31.823 0.030 0.000 0.643 134 V HN 0.220 nan 8.190 nan 0.000 0.445 135 E N -1.117 119.098 120.200 0.025 0.000 2.516 135 E HA -0.116 4.235 4.350 0.001 0.000 0.199 135 E C 2.175 178.787 176.600 0.019 0.000 1.069 135 E CA 0.229 56.641 56.400 0.019 0.000 0.876 135 E CB 0.001 29.711 29.700 0.016 0.000 0.843 135 E HN 0.456 nan 8.360 nan 0.000 0.530 136 R N 0.005 120.519 120.500 0.023 0.000 2.140 136 R HA 0.077 4.417 4.340 0.001 0.000 0.200 136 R C 0.498 176.813 176.300 0.024 0.000 1.069 136 R CA 0.354 56.468 56.100 0.023 0.000 1.088 136 R CB 0.672 30.989 30.300 0.028 0.000 1.012 136 R HN 0.010 nan 8.270 nan 0.000 0.500 137 Q N 1.391 121.209 119.800 0.030 0.000 3.035 137 Q HA 0.061 4.401 4.340 0.001 0.000 0.354 137 Q C 0.250 176.274 176.000 0.041 0.000 1.247 137 Q CA 0.047 55.870 55.803 0.034 0.000 1.068 137 Q CB 1.353 30.113 28.738 0.037 0.000 1.424 137 Q HN 0.211 nan 8.270 nan 0.000 0.486 138 K N 0.989 121.409 120.400 0.034 0.000 2.044 138 K HA -0.170 4.150 4.320 0.001 0.000 0.210 138 K C 1.393 178.037 176.600 0.073 0.000 1.049 138 K CA 1.241 57.551 56.287 0.038 0.000 0.927 138 K CB 0.268 32.771 32.500 0.005 0.000 0.713 138 K HN 0.214 nan 8.250 nan 0.000 0.443 139 M N 1.186 120.826 119.600 0.066 0.000 2.175 139 M HA -0.100 4.380 4.480 0.001 0.000 0.264 139 M C 1.616 178.002 176.300 0.144 0.000 1.063 139 M CA 1.314 56.684 55.300 0.118 0.000 1.119 139 M CB -1.237 31.409 32.600 0.078 0.000 1.377 139 M HN 0.170 nan 8.290 nan 0.000 0.415 140 N N 0.199 118.950 118.700 0.085 0.000 2.244 140 N HA -0.069 4.671 4.740 0.001 0.000 0.183 140 N C 1.888 177.431 175.510 0.055 0.000 1.016 140 N CA 0.973 54.057 53.050 0.057 0.000 0.866 140 N CB -0.286 38.222 38.487 0.036 0.000 0.980 140 N HN 0.176 nan 8.380 nan 0.000 0.430 141 V N 0.868 120.829 119.914 0.077 0.000 2.358 141 V HA -0.178 3.942 4.120 0.001 0.000 0.246 141 V C 2.000 178.151 176.094 0.095 0.000 1.047 141 V CA 1.152 63.492 62.300 0.068 0.000 1.035 141 V CB -0.655 31.211 31.823 0.072 0.000 0.658 141 V HN 0.146 nan 8.190 nan 0.000 0.452 142 F N 1.154 121.099 119.950 -0.009 0.000 2.134 142 F HA -0.153 4.374 4.527 0.001 0.000 0.299 142 F C 2.551 178.345 175.800 -0.009 0.000 1.097 142 F CA 1.868 59.863 58.000 -0.007 0.000 1.264 142 F CB -0.331 38.666 39.000 -0.004 0.000 1.001 142 F HN -0.075 nan 8.300 nan 0.000 0.479 143 R N -0.265 120.209 120.500 -0.043 0.000 2.081 143 R HA -0.170 4.170 4.340 0.001 0.000 0.235 143 R C 2.333 178.541 176.300 -0.154 0.000 1.131 143 R CA 2.002 58.021 56.100 -0.135 0.000 0.960 143 R CB -0.263 30.023 30.300 -0.024 0.000 0.856 143 R HN 0.334 nan 8.270 nan 0.000 0.436 144 M N 0.008 119.550 119.600 -0.096 0.000 2.159 144 M HA -0.189 4.291 4.480 0.001 0.000 0.263 144 M C 1.999 178.232 176.300 -0.112 0.000 1.063 144 M CA 1.734 56.980 55.300 -0.090 0.000 1.110 144 M CB -0.138 32.423 32.600 -0.063 0.000 1.374 144 M HN 0.047 nan 8.290 nan 0.000 0.411 145 K N 0.514 120.830 120.400 -0.139 0.000 2.062 145 K HA -0.029 4.292 4.320 0.001 0.000 0.205 145 K C 1.927 178.408 176.600 -0.198 0.000 1.051 145 K CA 1.004 57.205 56.287 -0.143 0.000 0.941 145 K CB -0.223 32.208 32.500 -0.115 0.000 0.719 145 K HN 0.295 nan 8.250 nan 0.000 0.440 146 L N 1.027 122.047 121.223 -0.338 0.000 2.079 146 L HA -0.194 4.147 4.340 0.001 0.000 0.210 146 L C 1.974 178.747 176.870 -0.161 0.000 1.081 146 L CA 1.155 55.806 54.840 -0.315 0.000 0.752 146 L CB -0.311 41.496 42.059 -0.420 0.000 0.896 146 L HN 0.216 nan 8.230 nan 0.000 0.433 147 L N -0.648 120.497 121.223 -0.130 0.000 2.610 147 L HA 0.046 4.387 4.340 0.001 0.000 0.232 147 L C 1.523 178.362 176.870 -0.051 0.000 1.149 147 L CA 0.606 55.407 54.840 -0.065 0.000 0.872 147 L CB -0.514 41.515 42.059 -0.050 0.000 0.992 147 L HN 0.491 nan 8.230 nan 0.000 0.447 148 G N -0.392 108.367 108.800 -0.067 0.000 2.176 148 G HA2 -0.272 3.689 3.960 0.001 0.000 0.253 148 G HA3 -0.272 3.689 3.960 0.001 0.000 0.253 148 G C 0.388 175.260 174.900 -0.047 0.000 0.979 148 G CA 0.027 45.097 45.100 -0.049 0.000 0.641 148 G HN 0.524 nan 8.290 nan 0.000 0.530 149 A N -0.356 122.429 122.820 -0.057 0.000 2.304 149 A HA 0.669 4.990 4.320 0.001 0.000 0.271 149 A C 0.320 177.868 177.584 -0.061 0.000 1.091 149 A CA 0.269 52.272 52.037 -0.058 0.000 0.812 149 A CB 0.439 19.399 19.000 -0.067 0.000 1.056 149 A HN 0.678 nan 8.150 nan 0.000 0.489 150 N N 0.773 119.433 118.700 -0.067 0.000 2.424 150 N HA 0.448 5.188 4.740 0.001 0.000 0.271 150 N C -1.435 174.014 175.510 -0.102 0.000 0.985 150 N CA -0.508 52.498 53.050 -0.073 0.000 0.921 150 N CB 1.091 39.536 38.487 -0.071 0.000 1.149 150 N HN 0.304 nan 8.380 nan 0.000 0.492 151 V N 5.636 125.500 119.914 -0.082 0.000 2.348 151 V HA 0.289 4.410 4.120 0.001 0.000 0.270 151 V C 0.351 176.385 176.094 -0.100 0.000 1.037 151 V CA -0.439 61.810 62.300 -0.086 0.000 0.872 151 V CB 0.679 32.478 31.823 -0.039 0.000 1.002 151 V HN 0.609 nan 8.190 nan 0.000 0.464 152 I N 8.054 128.520 120.570 -0.174 0.000 2.287 152 I HA 0.298 4.468 4.170 0.001 0.000 0.290 152 I C -2.297 173.790 176.117 -0.051 0.000 1.069 152 I CA -1.784 59.417 61.300 -0.166 0.000 1.237 152 I CB 1.367 39.126 38.000 -0.401 0.000 1.418 152 I HN 0.400 nan 8.210 nan 0.000 0.481 153 P HA 0.096 nan 4.420 nan 0.000 0.271 153 P C -0.731 176.610 177.300 0.067 0.000 1.216 153 P CA -0.134 62.987 63.100 0.034 0.000 0.776 153 P CB 0.884 32.599 31.700 0.025 0.000 0.881 154 V N 4.261 124.225 119.914 0.083 0.000 2.334 154 V HA 0.237 4.357 4.120 0.001 0.000 0.281 154 V C 0.915 177.044 176.094 0.057 0.000 1.016 154 V CA -0.199 62.156 62.300 0.091 0.000 0.832 154 V CB 1.035 32.927 31.823 0.114 0.000 0.999 154 V HN 0.530 nan 8.190 nan 0.000 0.439 155 N N 1.747 120.475 118.700 0.047 0.000 2.299 155 N HA 0.021 4.762 4.740 0.001 0.000 0.187 155 N C 1.007 176.533 175.510 0.026 0.000 1.099 155 N CA 0.148 53.218 53.050 0.032 0.000 0.867 155 N CB 0.710 39.214 38.487 0.028 0.000 0.974 155 N HN 0.742 nan 8.380 nan 0.000 0.477 156 S N -0.241 115.476 115.700 0.028 0.000 2.600 156 S HA 0.507 4.977 4.470 0.001 0.000 0.265 156 S C 1.240 175.849 174.600 0.014 0.000 1.325 156 S CA 0.063 58.275 58.200 0.019 0.000 1.002 156 S CB 1.294 64.505 63.200 0.018 0.000 0.921 156 S HN 0.422 nan 8.310 nan 0.000 0.554 157 G N 1.468 110.272 108.800 0.008 0.000 2.594 157 G HA2 -0.331 3.630 3.960 0.001 0.000 0.297 157 G HA3 -0.331 3.630 3.960 0.001 0.000 0.297 157 G C 0.746 175.647 174.900 0.001 0.000 1.273 157 G CA 0.848 45.949 45.100 0.002 0.000 0.974 157 G HN 2.140 nan 8.290 nan 0.000 0.552 158 S N 0.136 115.834 115.700 -0.003 0.000 2.710 158 S HA 0.323 4.793 4.470 0.001 0.000 0.224 158 S C 1.066 175.668 174.600 0.003 0.000 0.948 158 S CA 1.029 59.226 58.200 -0.005 0.000 0.949 158 S CB -0.049 63.141 63.200 -0.017 0.000 0.778 158 S HN 1.156 nan 8.310 nan 0.000 0.498 159 R N -0.014 120.493 120.500 0.012 0.000 3.516 159 R HA -0.147 4.194 4.340 0.001 0.000 0.271 159 R C 0.231 176.545 176.300 0.024 0.000 1.098 159 R CA 1.065 57.178 56.100 0.021 0.000 0.732 159 R CB -2.732 27.580 30.300 0.019 0.000 1.152 159 R HN 0.604 nan 8.270 nan 0.000 0.455 160 T N -1.883 112.684 114.554 0.022 0.000 2.676 160 T HA 0.443 4.793 4.350 0.001 0.000 0.269 160 T C 0.956 175.679 174.700 0.038 0.000 0.952 160 T CA -0.390 61.725 62.100 0.025 0.000 1.040 160 T CB 1.172 70.044 68.868 0.007 0.000 1.352 160 T HN 0.093 nan 8.240 nan 0.000 0.554 161 L N 1.852 123.100 121.223 0.042 0.000 2.013 161 L HA -0.016 4.325 4.340 0.001 0.000 0.212 161 L C 2.615 179.525 176.870 0.068 0.000 1.073 161 L CA 2.763 57.640 54.840 0.063 0.000 0.753 161 L CB -0.955 41.146 42.059 0.070 0.000 0.890 161 L HN 0.850 nan 8.230 nan 0.000 0.432 162 K N -1.467 118.976 120.400 0.072 0.000 2.152 162 K HA -0.194 4.126 4.320 0.001 0.000 0.206 162 K C 1.541 178.189 176.600 0.081 0.000 1.048 162 K CA 1.814 58.200 56.287 0.164 0.000 0.933 162 K CB -0.753 31.804 32.500 0.095 0.000 0.721 162 K HN 0.425 nan 8.250 nan 0.000 0.447 163 D N 1.401 121.826 120.400 0.041 0.000 2.149 163 D HA -0.083 4.558 4.640 0.001 0.000 0.201 163 D C 2.086 178.390 176.300 0.007 0.000 0.972 163 D CA 1.401 55.413 54.000 0.020 0.000 0.835 163 D CB -0.048 40.766 40.800 0.023 0.000 0.966 163 D HN 0.445 nan 8.370 nan 0.000 0.476 164 A N 1.342 124.182 122.820 0.033 0.000 1.898 164 A HA -0.097 4.224 4.320 0.001 0.000 0.216 164 A C 2.355 179.920 177.584 -0.032 0.000 1.181 164 A CA 0.623 52.692 52.037 0.053 0.000 0.620 164 A CB -0.657 18.413 19.000 0.116 0.000 0.819 164 A HN 0.123 nan 8.150 nan 0.000 0.442 165 I N 0.276 120.816 120.570 -0.050 0.000 2.208 165 I HA -0.296 3.875 4.170 0.001 0.000 0.245 165 I C 2.152 178.149 176.117 -0.199 0.000 1.097 165 I CA 1.221 62.430 61.300 -0.151 0.000 1.363 165 I CB -0.553 37.240 38.000 -0.345 0.000 1.051 165 I HN 0.371 nan 8.210 nan 0.000 0.413 166 N N 0.697 119.306 118.700 -0.151 0.000 2.084 166 N HA -0.182 4.559 4.740 0.001 0.000 0.190 166 N C 1.767 177.151 175.510 -0.211 0.000 1.030 166 N CA 1.285 54.248 53.050 -0.144 0.000 0.849 166 N CB -0.314 38.129 38.487 -0.074 0.000 1.012 166 N HN 0.339 nan 8.380 nan 0.000 0.423 167 E N 1.241 121.287 120.200 -0.256 0.000 2.085 167 E HA -0.086 4.265 4.350 0.001 0.000 0.194 167 E C 1.957 178.090 176.600 -0.778 0.000 0.994 167 E CA 0.772 56.908 56.400 -0.441 0.000 0.801 167 E CB -0.385 29.072 29.700 -0.405 0.000 0.743 167 E HN 0.331 nan 8.360 nan 0.000 0.453 168 A N 1.308 123.675 122.820 -0.755 0.000 1.877 168 A HA -0.169 4.151 4.320 0.001 0.000 0.216 168 A C 2.190 179.457 177.584 -0.529 0.000 1.186 168 A CA 1.138 52.783 52.037 -0.654 0.000 0.620 168 A CB -0.514 18.343 19.000 -0.238 0.000 0.822 168 A HN 0.153 nan 8.150 nan 0.000 0.443 169 L N -0.410 120.533 121.223 -0.467 0.000 2.042 169 L HA -0.127 4.213 4.340 0.001 0.000 0.210 169 L C 2.517 179.298 176.870 -0.148 0.000 1.076 169 L CA 1.895 56.543 54.840 -0.319 0.000 0.749 169 L CB -1.415 40.524 42.059 -0.200 0.000 0.893 169 L HN 0.435 nan 8.230 nan 0.000 0.432 170 R N -0.397 119.999 120.500 -0.173 0.000 2.094 170 R HA -0.213 4.127 4.340 0.001 0.000 0.239 170 R C 2.145 178.412 176.300 -0.056 0.000 1.137 170 R CA 1.884 57.923 56.100 -0.102 0.000 0.943 170 R CB -0.375 29.852 30.300 -0.121 0.000 0.850 170 R HN 0.391 nan 8.270 nan 0.000 0.433 171 D N -0.422 119.918 120.400 -0.100 0.000 2.106 171 D HA -0.236 4.405 4.640 0.001 0.000 0.191 171 D C 1.685 178.055 176.300 0.116 0.000 0.997 171 D CA 1.239 55.251 54.000 0.020 0.000 0.834 171 D CB -0.267 40.567 40.800 0.057 0.000 0.956 171 D HN 0.256 nan 8.370 nan 0.000 0.448 172 W N 1.458 122.684 121.300 -0.122 0.000 2.335 172 W HA -0.203 4.458 4.660 0.001 0.000 0.311 172 W C 2.450 179.032 176.519 0.106 0.000 1.213 172 W CA 1.282 58.603 57.345 -0.040 0.000 1.274 172 W CB -0.869 28.498 29.460 -0.155 0.000 1.148 172 W HN -0.137 nan 8.180 nan 0.000 0.498 173 V N 1.084 121.047 119.914 0.081 0.000 2.317 173 V HA -0.350 3.771 4.120 0.001 0.000 0.251 173 V C 2.399 178.563 176.094 0.116 0.000 1.065 173 V CA 2.569 64.891 62.300 0.037 0.000 1.049 173 V CB -1.699 30.129 31.823 0.007 0.000 0.651 173 V HN 0.287 nan 8.190 nan 0.000 0.450 174 A N -0.359 122.494 122.820 0.053 0.000 2.021 174 A HA -0.052 4.268 4.320 0.001 0.000 0.216 174 A C 2.162 179.713 177.584 -0.055 0.000 1.163 174 A CA 1.663 53.706 52.037 0.010 0.000 0.676 174 A CB -0.306 18.712 19.000 0.029 0.000 0.818 174 A HN 0.636 nan 8.150 nan 0.000 0.453 175 T N -3.632 110.884 114.554 -0.064 0.000 3.043 175 T HA 0.135 4.485 4.350 0.001 0.000 0.272 175 T C 1.258 175.772 174.700 -0.309 0.000 0.990 175 T CA 0.421 62.391 62.100 -0.216 0.000 0.897 175 T CB -0.818 67.876 68.868 -0.289 0.000 1.111 175 T HN 0.509 nan 8.240 nan 0.000 0.529 176 F N 2.152 122.002 119.950 -0.166 0.000 2.271 176 F HA -0.043 4.484 4.527 0.001 0.000 0.302 176 F C 2.012 177.810 175.800 -0.002 0.000 1.063 176 F CA 1.196 59.100 58.000 -0.160 0.000 1.362 176 F CB -0.678 37.857 39.000 -0.775 0.000 1.060 176 F HN 0.147 nan 8.300 nan 0.000 0.521 177 E N 1.511 121.391 120.200 -0.535 0.000 2.086 177 E HA -0.280 4.070 4.350 0.001 0.000 0.200 177 E C 1.635 178.332 176.600 0.162 0.000 1.012 177 E CA 2.404 58.696 56.400 -0.180 0.000 0.812 177 E CB -0.502 29.110 29.700 -0.146 0.000 0.743 177 E HN 0.778 nan 8.360 nan 0.000 0.453 178 Y N -2.162 118.167 120.300 0.049 0.000 2.527 178 Y HA 0.469 5.020 4.550 0.001 0.000 0.247 178 Y C 0.222 176.232 175.900 0.183 0.000 1.138 178 Y CA -0.586 57.577 58.100 0.105 0.000 1.228 178 Y CB -0.059 38.433 38.460 0.054 0.000 1.252 178 Y HN -0.302 nan 8.280 nan 0.000 0.531 179 T N 1.676 116.107 114.554 -0.205 0.000 2.794 179 T HA 0.266 4.616 4.350 0.001 0.000 0.280 179 T C -1.532 173.396 174.700 0.381 0.000 0.987 179 T CA -0.330 61.769 62.100 -0.002 0.000 0.993 179 T CB 0.929 69.713 68.868 -0.140 0.000 0.939 179 T HN 0.394 nan 8.240 nan 0.000 0.449 180 H N 2.000 121.192 119.070 0.203 0.000 2.459 180 H HA 0.431 4.987 4.556 0.001 0.000 0.332 180 H C -1.361 173.949 175.328 -0.030 0.000 1.094 180 H CA -0.960 55.200 56.048 0.186 0.000 1.224 180 H CB 0.521 30.372 29.762 0.148 0.000 1.449 180 H HN 0.565 nan 8.280 nan 0.000 0.484 181 Y N 6.610 126.170 120.300 -1.233 0.000 2.425 181 Y HA 0.280 4.831 4.550 0.001 0.000 0.347 181 Y C -1.169 174.078 175.900 -1.088 0.000 0.976 181 Y CA -1.327 56.066 58.100 -1.179 0.000 1.190 181 Y CB 0.345 37.768 38.460 -1.729 0.000 1.136 181 Y HN 0.579 nan 8.280 nan 0.000 0.517 182 L N 9.362 130.140 121.223 -0.743 0.000 2.352 182 L HA 0.372 4.712 4.340 0.001 0.000 0.272 182 L C -0.426 176.161 176.870 -0.472 0.000 1.109 182 L CA -0.430 54.142 54.840 -0.447 0.000 0.952 182 L CB -0.871 41.131 42.059 -0.095 0.000 1.314 182 L HN 0.624 nan 8.230 nan 0.000 0.427 183 I N 3.065 123.137 120.570 -0.831 0.000 2.648 183 I HA 0.057 4.228 4.170 0.001 0.000 0.284 183 I C 1.508 177.306 176.117 -0.532 0.000 1.153 183 I CA 0.342 61.159 61.300 -0.806 0.000 1.426 183 I CB 1.232 38.578 38.000 -1.091 0.000 1.381 183 I HN 0.680 nan 8.210 nan 0.000 0.571 184 G N 3.675 111.990 108.800 -0.808 0.000 2.985 184 G HA2 0.059 4.020 3.960 0.001 0.000 0.209 184 G HA3 0.059 4.020 3.960 0.001 0.000 0.209 184 G C 0.450 174.991 174.900 -0.599 0.000 1.165 184 G CA 0.217 44.514 45.100 -1.338 0.000 0.776 184 G HN 0.546 nan 8.290 nan 0.000 0.541 185 S N -1.564 113.886 115.700 -0.417 0.000 2.776 185 S HA 0.338 4.809 4.470 0.001 0.000 0.292 185 S C 0.040 174.495 174.600 -0.241 0.000 1.187 185 S CA -0.047 57.982 58.200 -0.284 0.000 0.834 185 S CB 1.150 64.152 63.200 -0.330 0.000 1.199 185 S HN 0.486 nan 8.310 nan 0.000 0.514 186 V N 1.800 121.601 119.914 -0.189 0.000 2.743 186 V HA 0.520 4.640 4.120 0.001 0.000 0.356 186 V C 0.219 176.201 176.094 -0.187 0.000 1.594 186 V CA 0.093 62.292 62.300 -0.169 0.000 1.652 186 V CB -1.483 30.244 31.823 -0.159 0.000 1.389 186 V HN 0.670 nan 8.190 nan 0.000 0.514 187 V N -1.789 117.980 119.914 -0.242 0.000 3.145 187 V HA 1.118 5.239 4.120 0.001 0.000 0.311 187 V C 0.465 176.373 176.094 -0.309 0.000 1.238 187 V CA -0.292 61.870 62.300 -0.230 0.000 1.066 187 V CB 0.958 32.590 31.823 -0.318 0.000 1.144 187 V HN 1.693 nan 8.190 nan 0.000 0.465 188 G N 0.182 108.776 108.800 -0.343 0.000 2.757 188 G HA2 -0.007 3.953 3.960 0.001 0.000 0.638 188 G HA3 -0.007 3.953 3.960 0.001 0.000 0.638 188 G C -2.981 171.904 174.900 -0.025 0.000 1.344 188 G CA -0.255 44.578 45.100 -0.444 0.000 0.855 188 G HN 1.043 nan 8.290 nan 0.000 0.537 189 P HA 0.151 nan 4.420 nan 0.000 0.275 189 P C 0.121 177.515 177.300 0.157 0.000 1.228 189 P CA -0.175 63.006 63.100 0.135 0.000 0.786 189 P CB 0.571 32.361 31.700 0.149 0.000 0.927 190 H N 5.016 124.064 119.070 -0.038 0.000 3.016 190 H HA -0.015 4.542 4.556 0.001 0.000 0.345 190 H C -1.500 173.755 175.328 -0.122 0.000 1.066 190 H CA -0.548 55.434 56.048 -0.111 0.000 1.390 190 H CB 0.530 30.140 29.762 -0.255 0.000 1.344 190 H HN 0.277 nan 8.280 nan 0.000 0.605 191 P HA -0.014 nan 4.420 nan 0.000 0.256 191 P C 0.365 177.278 177.300 -0.645 0.000 1.384 191 P CA 0.173 62.612 63.100 -1.102 0.000 0.879 191 P CB -0.266 30.805 31.700 -1.048 0.000 1.403 192 Y N 1.456 121.566 120.300 -0.318 0.000 2.163 192 Y HA -0.059 4.492 4.550 0.001 0.000 0.288 192 Y C -0.203 175.551 175.900 -0.243 0.000 1.136 192 Y CA 1.791 59.722 58.100 -0.282 0.000 1.147 192 Y CB -2.343 35.957 38.460 -0.266 0.000 0.987 192 Y HN 0.162 nan 8.280 nan 0.000 0.509 193 P HA -0.137 nan 4.420 nan 0.000 0.218 193 P C 1.426 178.692 177.300 -0.056 0.000 1.148 193 P CA 2.282 65.361 63.100 -0.036 0.000 0.822 193 P CB -0.029 31.701 31.700 0.050 0.000 0.784 194 T N -1.115 113.422 114.554 -0.028 0.000 2.809 194 T HA 0.018 4.369 4.350 0.001 0.000 0.260 194 T C 1.759 176.283 174.700 -0.293 0.000 1.039 194 T CA 0.766 62.823 62.100 -0.071 0.000 1.141 194 T CB -0.728 68.123 68.868 -0.028 0.000 0.869 194 T HN 0.037 nan 8.240 nan 0.000 0.437 195 I N 1.062 121.329 120.570 -0.505 0.000 2.179 195 I HA -0.164 4.006 4.170 0.001 0.000 0.242 195 I C 2.429 178.221 176.117 -0.541 0.000 1.088 195 I CA 0.994 61.801 61.300 -0.822 0.000 1.357 195 I CB -0.368 37.039 38.000 -0.988 0.000 1.051 195 I HN 0.085 nan 8.210 nan 0.000 0.409 196 V N 0.992 120.764 119.914 -0.236 0.000 2.343 196 V HA -0.270 3.851 4.120 0.001 0.000 0.247 196 V C 2.645 178.697 176.094 -0.069 0.000 1.051 196 V CA 1.842 64.110 62.300 -0.054 0.000 1.036 196 V CB -0.888 30.906 31.823 -0.049 0.000 0.654 196 V HN 0.463 nan 8.190 nan 0.000 0.451 197 R N 0.421 120.830 120.500 -0.152 0.000 2.081 197 R HA -0.209 4.132 4.340 0.001 0.000 0.235 197 R C 1.868 178.064 176.300 -0.173 0.000 1.131 197 R CA 2.215 58.215 56.100 -0.167 0.000 0.960 197 R CB -0.638 29.505 30.300 -0.261 0.000 0.856 197 R HN 0.477 nan 8.270 nan 0.000 0.436 198 D N -0.140 120.113 120.400 -0.244 0.000 2.178 198 D HA -0.136 4.505 4.640 0.001 0.000 0.201 198 D C 1.652 177.927 176.300 -0.041 0.000 0.980 198 D CA 1.127 55.007 54.000 -0.200 0.000 0.842 198 D CB -0.319 40.340 40.800 -0.235 0.000 0.948 198 D HN 0.334 nan 8.370 nan 0.000 0.472 199 F N 0.153 120.133 119.950 0.051 0.000 2.615 199 F HA 0.007 4.535 4.527 0.001 0.000 0.297 199 F C 2.252 178.096 175.800 0.073 0.000 1.124 199 F CA 0.075 58.123 58.000 0.080 0.000 1.451 199 F CB 0.461 39.508 39.000 0.080 0.000 1.103 199 F HN -0.167 nan 8.300 nan 0.000 0.569 200 Q N -0.273 119.657 119.800 0.216 0.000 2.378 200 Q HA -0.000 4.341 4.340 0.001 0.000 0.216 200 Q C 2.129 178.208 176.000 0.133 0.000 0.892 200 Q CA 0.794 56.696 55.803 0.165 0.000 0.931 200 Q CB -0.001 28.814 28.738 0.128 0.000 1.086 200 Q HN 0.334 nan 8.270 nan 0.000 0.528 201 S N -0.194 115.575 115.700 0.116 0.000 2.500 201 S HA -0.076 4.395 4.470 0.001 0.000 0.239 201 S C 1.839 176.526 174.600 0.144 0.000 0.989 201 S CA 0.803 59.087 58.200 0.140 0.000 0.951 201 S CB -0.406 62.877 63.200 0.139 0.000 0.759 201 S HN 0.155 nan 8.310 nan 0.000 0.523 202 V N 1.830 121.830 119.914 0.142 0.000 2.594 202 V HA -0.072 4.048 4.120 0.001 0.000 0.253 202 V C 1.958 178.124 176.094 0.120 0.000 1.069 202 V CA 1.461 63.837 62.300 0.127 0.000 1.082 202 V CB -0.568 31.335 31.823 0.133 0.000 0.680 202 V HN 0.622 nan 8.190 nan 0.000 0.469 203 I N 0.591 121.239 120.570 0.130 0.000 2.179 203 I HA -0.134 4.037 4.170 0.001 0.000 0.242 203 I C 2.603 178.815 176.117 0.157 0.000 1.088 203 I CA 1.698 63.076 61.300 0.130 0.000 1.357 203 I CB -1.064 37.004 38.000 0.114 0.000 1.051 203 I HN 0.430 nan 8.210 nan 0.000 0.409 204 G N 0.587 109.495 108.800 0.181 0.000 2.402 204 G HA2 -0.186 3.774 3.960 0.001 0.000 0.216 204 G HA3 -0.186 3.774 3.960 0.001 0.000 0.216 204 G C 1.814 176.764 174.900 0.084 0.000 1.162 204 G CA 0.302 45.543 45.100 0.235 0.000 0.777 204 G HN 0.275 nan 8.290 nan 0.000 0.539 205 R N 0.410 120.933 120.500 0.040 0.000 2.073 205 R HA -0.046 4.294 4.340 0.001 0.000 0.234 205 R C 2.553 178.869 176.300 0.026 0.000 1.134 205 R CA 1.537 57.630 56.100 -0.012 0.000 0.952 205 R CB -0.335 29.978 30.300 0.023 0.000 0.850 205 R HN 0.459 nan 8.270 nan 0.000 0.433 206 E N 0.518 120.760 120.200 0.070 0.000 2.051 206 E HA -0.184 4.167 4.350 0.001 0.000 0.192 206 E C 2.085 178.746 176.600 0.102 0.000 0.991 206 E CA 1.208 57.654 56.400 0.078 0.000 0.799 206 E CB -0.158 29.594 29.700 0.087 0.000 0.748 206 E HN 0.363 nan 8.360 nan 0.000 0.449 207 A N 1.597 124.508 122.820 0.151 0.000 1.940 207 A HA -0.254 4.066 4.320 0.001 0.000 0.219 207 A C 2.055 179.792 177.584 0.255 0.000 1.176 207 A CA 1.725 53.885 52.037 0.204 0.000 0.631 207 A CB -0.385 18.776 19.000 0.270 0.000 0.814 207 A HN 0.074 nan 8.150 nan 0.000 0.446 208 K N -0.409 120.147 120.400 0.260 0.000 2.026 208 K HA -0.081 4.239 4.320 0.001 0.000 0.208 208 K C 2.214 178.872 176.600 0.096 0.000 1.048 208 K CA 1.248 57.657 56.287 0.203 0.000 0.929 208 K CB -0.342 32.013 32.500 -0.240 0.000 0.713 208 K HN 0.369 nan 8.250 nan 0.000 0.439 209 A N 1.018 123.866 122.820 0.046 0.000 1.877 209 A HA -0.227 4.094 4.320 0.001 0.000 0.216 209 A C 2.017 179.623 177.584 0.037 0.000 1.186 209 A CA 1.670 53.726 52.037 0.031 0.000 0.620 209 A CB -0.624 18.392 19.000 0.026 0.000 0.822 209 A HN 0.482 nan 8.150 nan 0.000 0.443 210 Q N -1.342 118.491 119.800 0.054 0.000 2.170 210 Q HA -0.114 4.227 4.340 0.001 0.000 0.203 210 Q C 1.895 177.898 176.000 0.004 0.000 0.976 210 Q CA 1.326 57.158 55.803 0.049 0.000 0.858 210 Q CB -0.263 28.523 28.738 0.081 0.000 0.907 210 Q HN 0.642 nan 8.270 nan 0.000 0.433 211 I N 0.162 120.721 120.570 -0.018 0.000 2.617 211 I HA -0.137 4.034 4.170 0.001 0.000 0.256 211 I C 1.595 177.654 176.117 -0.098 0.000 1.167 211 I CA 0.942 62.158 61.300 -0.139 0.000 1.469 211 I CB 0.091 38.005 38.000 -0.143 0.000 1.098 211 I HN 0.146 nan 8.210 nan 0.000 0.436 212 L N -0.313 120.895 121.223 -0.026 0.000 2.156 212 L HA -0.117 4.223 4.340 0.001 0.000 0.208 212 L C 2.244 179.100 176.870 -0.023 0.000 1.095 212 L CA 1.093 55.921 54.840 -0.019 0.000 0.770 212 L CB -0.519 41.542 42.059 0.003 0.000 0.914 212 L HN 0.246 nan 8.230 nan 0.000 0.439 213 E N 0.050 120.242 120.200 -0.012 0.000 2.158 213 E HA -0.114 4.237 4.350 0.001 0.000 0.191 213 E C 2.192 178.787 176.600 -0.008 0.000 0.982 213 E CA 0.982 57.380 56.400 -0.003 0.000 0.823 213 E CB 0.020 29.729 29.700 0.015 0.000 0.766 213 E HN 0.464 nan 8.360 nan 0.000 0.468 214 A N 0.883 123.688 122.820 -0.024 0.000 1.984 214 A HA -0.039 4.282 4.320 0.001 0.000 0.214 214 A C 1.676 179.224 177.584 -0.059 0.000 1.173 214 A CA 0.753 52.779 52.037 -0.018 0.000 0.673 214 A CB 0.304 19.320 19.000 0.027 0.000 0.830 214 A HN -0.010 nan 8.150 nan 0.000 0.453 215 E N -1.824 118.312 120.200 -0.106 0.000 2.641 215 E HA 0.203 4.554 4.350 0.001 0.000 0.224 215 E C 0.987 177.544 176.600 -0.072 0.000 0.951 215 E CA 0.545 56.882 56.400 -0.106 0.000 1.102 215 E CB 0.474 30.069 29.700 -0.175 0.000 1.091 215 E HN 0.658 nan 8.360 nan 0.000 0.507 216 G N 2.781 111.547 108.800 -0.055 0.000 2.186 216 G HA2 -0.333 3.628 3.960 0.001 0.000 0.266 216 G HA3 -0.333 3.628 3.960 0.001 0.000 0.266 216 G C 0.247 175.127 174.900 -0.033 0.000 0.982 216 G CA 1.514 46.593 45.100 -0.035 0.000 0.670 216 G HN 0.405 nan 8.290 nan 0.000 0.533 217 Q N -1.352 118.420 119.800 -0.047 0.000 2.482 217 Q HA 0.763 5.104 4.340 0.001 0.000 0.286 217 Q C -0.259 175.719 176.000 -0.038 0.000 1.007 217 Q CA -1.363 54.418 55.803 -0.035 0.000 0.801 217 Q CB 1.266 29.980 28.738 -0.040 0.000 1.455 217 Q HN 0.185 nan 8.270 nan 0.000 0.398 218 L N 1.816 123.036 121.223 -0.005 0.000 2.472 218 L HA 0.431 4.772 4.340 0.001 0.000 0.260 218 L C -1.791 175.041 176.870 -0.065 0.000 1.209 218 L CA -1.802 53.049 54.840 0.018 0.000 0.817 218 L CB 0.176 42.287 42.059 0.087 0.000 1.106 218 L HN 0.589 nan 8.230 nan 0.000 0.479 219 P HA 0.091 nan 4.420 nan 0.000 0.276 219 P C -0.683 176.534 177.300 -0.138 0.000 1.244 219 P CA -0.410 62.590 63.100 -0.168 0.000 0.801 219 P CB 1.230 32.779 31.700 -0.251 0.000 1.006 220 D N -0.187 120.151 120.400 -0.102 0.000 2.162 220 D HA 0.038 4.678 4.640 0.001 0.000 0.205 220 D C 0.323 176.565 176.300 -0.096 0.000 0.964 220 D CA 1.375 55.327 54.000 -0.080 0.000 0.847 220 D CB 0.336 41.105 40.800 -0.051 0.000 0.988 220 D HN 0.135 nan 8.370 nan 0.000 0.480 221 V N 1.551 121.408 119.914 -0.096 0.000 2.733 221 V HA 0.359 4.479 4.120 0.001 0.000 0.306 221 V C -0.365 175.672 176.094 -0.095 0.000 1.084 221 V CA -0.717 61.529 62.300 -0.090 0.000 0.905 221 V CB 2.828 34.635 31.823 -0.027 0.000 1.010 221 V HN -0.082 nan 8.190 nan 0.000 0.424 222 I N 4.225 124.726 120.570 -0.116 0.000 2.378 222 I HA 0.574 4.745 4.170 0.001 0.000 0.291 222 I C -0.823 175.359 176.117 0.108 0.000 0.992 222 I CA -0.838 60.435 61.300 -0.045 0.000 1.154 222 I CB 2.025 39.960 38.000 -0.108 0.000 1.315 222 I HN 0.300 nan 8.210 nan 0.000 0.448 223 V N 5.552 125.546 119.914 0.134 0.000 2.487 223 V HA 0.808 4.929 4.120 0.001 0.000 0.298 223 V C -0.032 176.129 176.094 0.111 0.000 1.028 223 V CA -0.428 61.965 62.300 0.155 0.000 0.860 223 V CB 1.520 33.443 31.823 0.166 0.000 0.991 223 V HN 0.848 nan 8.190 nan 0.000 0.427 224 A N 3.287 126.141 122.820 0.058 0.000 2.475 224 A HA 0.796 5.117 4.320 0.001 0.000 0.301 224 A C -0.153 177.372 177.584 -0.097 0.000 1.059 224 A CA -0.501 51.489 52.037 -0.077 0.000 0.710 224 A CB 1.437 20.273 19.000 -0.273 0.000 1.288 224 A HN 1.284 nan 8.150 nan 0.000 0.408 225 C N 0.451 119.696 119.300 -0.091 0.000 2.595 225 C HA 0.800 5.261 4.460 0.001 0.000 0.384 225 C C 0.041 174.937 174.990 -0.157 0.000 1.289 225 C CA -0.562 58.404 59.018 -0.087 0.000 2.372 225 C CB -0.144 27.562 27.740 -0.056 0.000 2.593 225 C HN 0.672 nan 8.230 nan 0.000 0.639 226 V N 3.484 123.304 119.914 -0.156 0.000 2.482 226 V HA 0.631 4.752 4.120 0.001 0.000 0.295 226 V C 0.751 176.753 176.094 -0.153 0.000 1.026 226 V CA 0.672 62.852 62.300 -0.201 0.000 0.856 226 V CB 0.911 32.571 31.823 -0.272 0.000 1.001 226 V HN 1.302 nan 8.190 nan 0.000 0.424 227 G N 3.274 112.001 108.800 -0.120 0.000 2.543 227 G HA2 0.316 4.276 3.960 0.001 0.000 0.221 227 G HA3 0.316 4.276 3.960 0.001 0.000 0.221 227 G C 1.269 176.135 174.900 -0.058 0.000 1.902 227 G CA 0.737 45.803 45.100 -0.057 0.000 0.838 227 G HN 0.834 nan 8.290 nan 0.000 0.650 228 G N -0.737 107.996 108.800 -0.111 0.000 2.494 228 G HA2 0.365 4.325 3.960 0.001 0.000 0.216 228 G HA3 0.365 4.325 3.960 0.001 0.000 0.216 228 G C 1.167 175.982 174.900 -0.142 0.000 1.140 228 G CA 1.010 45.963 45.100 -0.245 0.000 0.801 228 G HN 1.847 nan 8.290 nan 0.000 0.536 229 G N -0.237 108.502 108.800 -0.102 0.000 2.143 229 G HA2 -0.210 3.750 3.960 0.001 0.000 0.175 229 G HA3 -0.210 3.750 3.960 0.001 0.000 0.175 229 G C 1.379 176.333 174.900 0.091 0.000 1.004 229 G CA 1.037 46.133 45.100 -0.006 0.000 0.671 229 G HN 1.179 nan 8.290 nan 0.000 0.512 230 S N 0.839 116.542 115.700 0.005 0.000 2.371 230 S HA -0.132 4.338 4.470 0.001 0.000 0.224 230 S C 2.054 176.631 174.600 -0.038 0.000 1.029 230 S CA 1.814 60.026 58.200 0.021 0.000 0.978 230 S CB -0.510 62.739 63.200 0.080 0.000 0.833 230 S HN 1.161 nan 8.310 nan 0.000 0.466 231 N N 2.742 121.296 118.700 -0.243 0.000 2.270 231 N HA 0.091 4.831 4.740 0.001 0.000 0.181 231 N C 1.724 177.037 175.510 -0.329 0.000 1.016 231 N CA 1.132 53.865 53.050 -0.528 0.000 0.870 231 N CB -0.579 37.163 38.487 -1.242 0.000 0.979 231 N HN 0.488 nan 8.380 nan 0.000 0.431 232 A N 0.661 123.280 122.820 -0.335 0.000 1.873 232 A HA 0.008 4.329 4.320 0.001 0.000 0.215 232 A C 2.268 179.518 177.584 -0.557 0.000 1.186 232 A CA 1.335 53.002 52.037 -0.617 0.000 0.616 232 A CB -0.498 18.131 19.000 -0.618 0.000 0.823 232 A HN 0.266 nan 8.150 nan 0.000 0.442 233 M N -0.197 119.304 119.600 -0.165 0.000 2.117 233 M HA -0.108 4.372 4.480 0.001 0.000 0.262 233 M C 2.301 178.636 176.300 0.059 0.000 1.065 233 M CA 1.418 56.688 55.300 -0.051 0.000 1.114 233 M CB -1.946 30.572 32.600 -0.136 0.000 1.361 233 M HN 0.482 nan 8.290 nan 0.000 0.408 234 G N -0.234 108.570 108.800 0.007 0.000 2.469 234 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 234 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 234 G C 1.655 176.647 174.900 0.154 0.000 1.150 234 G CA 0.825 45.969 45.100 0.074 0.000 0.763 234 G HN 0.492 nan 8.290 nan 0.000 0.561 235 I N -1.330 119.315 120.570 0.126 0.000 3.030 235 I HA 0.161 4.331 4.170 0.001 0.000 0.270 235 I C 1.963 178.395 176.117 0.525 0.000 1.211 235 I CA 0.164 61.625 61.300 0.268 0.000 1.479 235 I CB 0.137 38.236 38.000 0.165 0.000 1.105 235 I HN 0.021 nan 8.210 nan 0.000 0.447 236 F N 0.321 120.415 119.950 0.240 0.000 2.098 236 F HA -0.173 4.355 4.527 0.001 0.000 0.294 236 F C 2.350 178.324 175.800 0.290 0.000 1.107 236 F CA 0.993 59.142 58.000 0.248 0.000 1.234 236 F CB -1.644 37.458 39.000 0.171 0.000 1.002 236 F HN 0.090 nan 8.300 nan 0.000 0.472 237 Y N 1.340 121.839 120.300 0.331 0.000 2.062 237 Y HA -0.245 4.306 4.550 0.001 0.000 0.273 237 Y C -0.714 175.248 175.900 0.105 0.000 1.206 237 Y CA 2.359 60.570 58.100 0.185 0.000 1.125 237 Y CB -1.944 36.588 38.460 0.120 0.000 0.951 237 Y HN -0.004 nan 8.280 nan 0.000 0.501 238 P HA -0.100 nan 4.420 nan 0.000 0.230 238 P C 0.613 177.633 177.300 -0.466 0.000 1.158 238 P CA 1.576 64.513 63.100 -0.273 0.000 0.769 238 P CB -0.197 31.297 31.700 -0.345 0.000 0.807 239 F N -2.909 117.026 119.950 -0.024 0.000 2.704 239 F HA 0.067 4.594 4.527 0.001 0.000 0.304 239 F C 2.015 177.762 175.800 -0.088 0.000 1.094 239 F CA 0.008 57.980 58.000 -0.047 0.000 1.275 239 F CB -0.826 38.160 39.000 -0.024 0.000 1.073 239 F HN -0.345 nan 8.300 nan 0.000 0.586 240 V N 0.790 120.721 119.914 0.027 0.000 2.277 240 V HA -0.384 3.736 4.120 0.001 0.000 0.253 240 V C 1.442 177.516 176.094 -0.034 0.000 1.067 240 V CA 2.420 64.703 62.300 -0.027 0.000 1.047 240 V CB -0.766 31.004 31.823 -0.088 0.000 0.649 240 V HN 0.455 nan 8.190 nan 0.000 0.447 241 N N -0.354 118.310 118.700 -0.061 0.000 2.383 241 N HA -0.005 4.735 4.740 0.001 0.000 0.192 241 N C -0.188 175.312 175.510 -0.017 0.000 1.141 241 N CA -0.025 53.001 53.050 -0.040 0.000 0.851 241 N CB 0.134 38.584 38.487 -0.061 0.000 0.976 241 N HN 0.500 nan 8.380 nan 0.000 0.465 242 D N 1.131 121.538 120.400 0.011 0.000 2.638 242 D HA 0.069 4.710 4.640 0.001 0.000 0.245 242 D C 0.724 177.034 176.300 0.016 0.000 1.176 242 D CA -0.174 53.845 54.000 0.032 0.000 0.996 242 D CB 0.794 41.655 40.800 0.102 0.000 1.012 242 D HN -0.051 nan 8.370 nan 0.000 0.515 243 K N 0.607 121.005 120.400 -0.004 0.000 2.277 243 K HA -0.230 4.091 4.320 0.001 0.000 0.206 243 K C 1.526 178.110 176.600 -0.025 0.000 1.044 243 K CA 1.164 57.441 56.287 -0.017 0.000 0.932 243 K CB 0.079 32.571 32.500 -0.014 0.000 0.726 243 K HN 0.094 nan 8.250 nan 0.000 0.473 244 K N 0.233 120.623 120.400 -0.017 0.000 2.366 244 K HA 0.034 4.354 4.320 0.001 0.000 0.198 244 K C 0.147 176.720 176.600 -0.045 0.000 1.044 244 K CA 0.112 56.383 56.287 -0.027 0.000 0.973 244 K CB 0.283 32.772 32.500 -0.018 0.000 0.767 244 K HN -0.140 nan 8.250 nan 0.000 0.475 245 V N 2.637 122.524 119.914 -0.045 0.000 2.427 245 V HA 0.081 4.201 4.120 0.001 0.000 0.268 245 V C 0.147 176.159 176.094 -0.137 0.000 1.046 245 V CA -0.733 61.511 62.300 -0.094 0.000 0.970 245 V CB 0.697 32.467 31.823 -0.087 0.000 1.001 245 V HN 0.109 nan 8.190 nan 0.000 0.476 246 K N 6.176 126.487 120.400 -0.149 0.000 2.249 246 K HA 0.522 4.842 4.320 0.001 0.000 0.280 246 K C -0.990 175.450 176.600 -0.266 0.000 1.033 246 K CA -0.375 55.808 56.287 -0.173 0.000 0.946 246 K CB 0.671 33.101 32.500 -0.116 0.000 1.005 246 K HN 0.626 nan 8.250 nan 0.000 0.469 247 L N 4.499 125.490 121.223 -0.386 0.000 2.313 247 L HA 0.490 4.830 4.340 0.001 0.000 0.283 247 L C -1.068 175.487 176.870 -0.525 0.000 1.013 247 L CA -1.289 53.135 54.840 -0.694 0.000 0.816 247 L CB 1.909 43.235 42.059 -1.222 0.000 1.236 247 L HN 0.415 nan 8.230 nan 0.000 0.419 248 V N 1.899 121.643 119.914 -0.283 0.000 2.525 248 V HA 0.589 4.710 4.120 0.001 0.000 0.299 248 V C 0.331 176.421 176.094 -0.007 0.000 1.034 248 V CA -0.516 61.664 62.300 -0.199 0.000 0.863 248 V CB 1.838 33.584 31.823 -0.128 0.000 0.999 248 V HN 0.866 nan 8.190 nan 0.000 0.423 249 G N 3.283 111.942 108.800 -0.235 0.000 2.356 249 G HA2 0.615 4.575 3.960 0.001 0.000 0.322 249 G HA3 0.615 4.575 3.960 0.001 0.000 0.322 249 G C -0.945 173.880 174.900 -0.125 0.000 1.125 249 G CA -0.459 44.584 45.100 -0.095 0.000 0.885 249 G HN 0.548 nan 8.290 nan 0.000 0.467 250 V N 2.412 122.266 119.914 -0.100 0.000 2.417 250 V HA 0.383 4.504 4.120 0.001 0.000 0.291 250 V C 0.041 176.110 176.094 -0.041 0.000 1.024 250 V CA -0.690 61.551 62.300 -0.099 0.000 0.861 250 V CB 1.316 33.112 31.823 -0.044 0.000 0.985 250 V HN 0.805 nan 8.190 nan 0.000 0.436 251 E N 2.160 122.347 120.200 -0.022 0.000 2.243 251 E HA 0.717 5.067 4.350 0.001 0.000 0.260 251 E C -0.261 176.361 176.600 0.036 0.000 0.985 251 E CA -0.951 55.435 56.400 -0.023 0.000 0.858 251 E CB 1.880 31.565 29.700 -0.025 0.000 1.210 251 E HN 0.779 nan 8.360 nan 0.000 0.411 252 A N 0.792 123.614 122.820 0.004 0.000 2.395 252 A HA 0.317 4.638 4.320 0.001 0.000 0.286 252 A C 0.984 178.656 177.584 0.146 0.000 1.193 252 A CA 0.226 52.306 52.037 0.072 0.000 0.852 252 A CB -0.113 18.861 19.000 -0.043 0.000 1.118 252 A HN 0.756 nan 8.150 nan 0.000 0.524 253 G N 1.890 110.790 108.800 0.167 0.000 2.712 253 G HA2 0.385 4.346 3.960 0.001 0.000 0.212 253 G HA3 0.385 4.346 3.960 0.001 0.000 0.212 253 G C 1.188 176.196 174.900 0.179 0.000 1.142 253 G CA 0.800 45.972 45.100 0.119 0.000 0.789 253 G HN 1.958 nan 8.290 nan 0.000 0.535 254 G N 0.766 109.672 108.800 0.177 0.000 2.629 254 G HA2 -0.388 3.572 3.960 0.001 0.000 0.313 254 G HA3 -0.388 3.572 3.960 0.001 0.000 0.313 254 G C 1.124 176.149 174.900 0.207 0.000 1.217 254 G CA 0.963 46.170 45.100 0.180 0.000 0.994 254 G HN 0.352 nan 8.290 nan 0.000 0.549 255 K N 1.625 122.184 120.400 0.266 0.000 2.243 255 K HA 0.435 4.756 4.320 0.001 0.000 0.201 255 K C 1.059 177.730 176.600 0.118 0.000 1.051 255 K CA 1.469 57.859 56.287 0.172 0.000 0.970 255 K CB -0.130 32.448 32.500 0.130 0.000 0.755 255 K HN 1.807 nan 8.250 nan 0.000 0.465 256 G N -0.647 108.232 108.800 0.131 0.000 2.308 256 G HA2 0.061 4.022 3.960 0.001 0.000 0.288 256 G HA3 0.061 4.022 3.960 0.001 0.000 0.288 256 G C -0.495 174.452 174.900 0.079 0.000 1.722 256 G CA -0.821 44.327 45.100 0.080 0.000 0.924 256 G HN -0.024 nan 8.290 nan 0.000 0.732 257 L N 0.966 122.182 121.223 -0.013 0.000 2.131 257 L HA 0.052 4.392 4.340 0.001 0.000 0.210 257 L C 2.659 179.499 176.870 -0.050 0.000 1.092 257 L CA 2.547 57.293 54.840 -0.155 0.000 0.759 257 L CB -0.140 41.812 42.059 -0.180 0.000 0.903 257 L HN 0.789 nan 8.230 nan 0.000 0.435 258 E N -1.688 118.518 120.200 0.009 0.000 2.476 258 E HA -0.019 4.332 4.350 0.001 0.000 0.191 258 E C 1.480 178.117 176.600 0.062 0.000 1.064 258 E CA 0.821 57.241 56.400 0.034 0.000 0.866 258 E CB -0.442 29.271 29.700 0.022 0.000 0.952 258 E HN 0.546 nan 8.360 nan 0.000 0.492 259 S N -0.628 115.128 115.700 0.093 0.000 2.540 259 S HA 0.340 4.810 4.470 0.001 0.000 0.218 259 S C 1.654 176.326 174.600 0.119 0.000 0.977 259 S CA 0.304 58.558 58.200 0.090 0.000 0.918 259 S CB 0.025 63.274 63.200 0.082 0.000 0.806 259 S HN 0.374 nan 8.310 nan 0.000 0.496 260 G N 1.788 110.712 108.800 0.206 0.000 2.196 260 G HA2 -0.265 3.696 3.960 0.001 0.000 0.268 260 G HA3 -0.265 3.696 3.960 0.001 0.000 0.268 260 G C 0.144 175.079 174.900 0.057 0.000 0.975 260 G CA 0.579 45.792 45.100 0.190 0.000 0.648 260 G HN 0.479 nan 8.290 nan 0.000 0.538 261 K N 1.631 122.121 120.400 0.150 0.000 2.319 261 K HA 0.339 4.659 4.320 0.001 0.000 0.237 261 K C 0.624 177.377 176.600 0.254 0.000 1.113 261 K CA 0.014 56.368 56.287 0.111 0.000 1.072 261 K CB 0.057 32.598 32.500 0.069 0.000 1.734 261 K HN 0.877 nan 8.250 nan 0.000 0.429 262 H N -2.529 116.625 119.070 0.140 0.000 3.590 262 H HA 0.342 4.898 4.556 0.001 0.000 0.318 262 H C -0.709 174.652 175.328 0.054 0.000 1.648 262 H CA -0.729 55.374 56.048 0.093 0.000 1.174 262 H CB 1.283 31.086 29.762 0.068 0.000 1.702 262 H HN 0.035 nan 8.280 nan 0.000 0.713 263 S N -0.686 115.113 115.700 0.165 0.000 3.022 263 S HA 0.406 4.877 4.470 0.001 0.000 0.247 263 S C -0.522 174.180 174.600 0.169 0.000 0.845 263 S CA 0.206 58.451 58.200 0.074 0.000 1.104 263 S CB -0.679 62.530 63.200 0.015 0.000 1.228 263 S HN 0.876 nan 8.310 nan 0.000 0.532 264 A N 1.163 124.228 122.820 0.408 0.000 3.004 264 A HA 0.541 4.861 4.320 0.001 0.000 0.286 264 A C 1.306 178.963 177.584 0.121 0.000 1.632 264 A CA -0.113 52.029 52.037 0.175 0.000 1.339 264 A CB -0.438 18.585 19.000 0.038 0.000 1.136 264 A HN 0.457 nan 8.150 nan 0.000 0.577 265 S N 1.398 117.129 115.700 0.052 0.000 2.356 265 S HA -0.153 4.318 4.470 0.001 0.000 0.223 265 S C 1.812 176.390 174.600 -0.037 0.000 1.032 265 S CA 1.538 59.760 58.200 0.037 0.000 1.005 265 S CB -0.331 62.863 63.200 -0.011 0.000 0.867 265 S HN 0.715 nan 8.310 nan 0.000 0.449 266 L N 1.532 122.613 121.223 -0.236 0.000 2.093 266 L HA -0.050 4.291 4.340 0.001 0.000 0.208 266 L C 1.832 178.526 176.870 -0.292 0.000 1.085 266 L CA 0.875 55.410 54.840 -0.507 0.000 0.755 266 L CB -0.408 41.265 42.059 -0.642 0.000 0.904 266 L HN 0.300 nan 8.230 nan 0.000 0.435 267 N N -0.693 117.929 118.700 -0.131 0.000 2.353 267 N HA 0.104 4.844 4.740 0.001 0.000 0.185 267 N C 0.910 176.413 175.510 -0.011 0.000 1.098 267 N CA 0.932 53.943 53.050 -0.065 0.000 0.872 267 N CB 1.035 39.483 38.487 -0.066 0.000 0.970 267 N HN 0.249 nan 8.380 nan 0.000 0.467 268 A N -0.609 122.237 122.820 0.043 0.000 2.631 268 A HA 0.444 4.765 4.320 0.001 0.000 0.258 268 A C 0.790 178.474 177.584 0.167 0.000 1.027 268 A CA -0.129 51.964 52.037 0.094 0.000 1.015 268 A CB -0.102 18.929 19.000 0.052 0.000 1.206 268 A HN 0.175 nan 8.150 nan 0.000 0.556 269 G N -0.721 108.200 108.800 0.202 0.000 2.583 269 G HA2 0.530 4.491 3.960 0.001 0.000 0.280 269 G HA3 0.530 4.491 3.960 0.001 0.000 0.280 269 G C -0.585 174.447 174.900 0.220 0.000 1.376 269 G CA -0.395 44.837 45.100 0.219 0.000 1.043 269 G HN 0.275 nan 8.290 nan 0.000 0.538 270 Q N -1.346 118.536 119.800 0.136 0.000 2.345 270 Q HA 0.473 4.814 4.340 0.001 0.000 0.275 270 Q C -0.576 175.357 176.000 -0.111 0.000 1.063 270 Q CA -0.592 55.206 55.803 -0.008 0.000 0.819 270 Q CB 2.169 30.924 28.738 0.028 0.000 1.356 270 Q HN 0.419 nan 8.270 nan 0.000 0.418 271 V N 2.812 122.532 119.914 -0.323 0.000 2.694 271 V HA 0.590 4.711 4.120 0.001 0.000 0.306 271 V C 0.830 176.960 176.094 0.060 0.000 1.054 271 V CA 1.264 63.444 62.300 -0.201 0.000 1.161 271 V CB 0.179 31.909 31.823 -0.154 0.000 0.916 271 V HN 0.855 nan 8.190 nan 0.000 0.490 272 G N 3.214 112.166 108.800 0.253 0.000 2.561 272 G HA2 0.592 4.553 3.960 0.001 0.000 0.310 272 G HA3 0.592 4.553 3.960 0.001 0.000 0.310 272 G C -1.688 173.383 174.900 0.286 0.000 1.292 272 G CA -0.449 44.784 45.100 0.221 0.000 0.811 272 G HN 0.618 nan 8.290 nan 0.000 0.482 273 V N 0.469 120.420 119.914 0.062 0.000 2.483 273 V HA 0.781 4.901 4.120 0.001 0.000 0.297 273 V C -1.218 174.812 176.094 -0.106 0.000 1.027 273 V CA -0.484 61.846 62.300 0.050 0.000 0.855 273 V CB 1.090 32.881 31.823 -0.054 0.000 0.995 273 V HN 0.838 nan 8.190 nan 0.000 0.424 274 F N 2.685 122.410 119.950 -0.375 0.000 2.678 274 F HA 0.529 5.057 4.527 0.001 0.000 0.308 274 F C 0.340 176.211 175.800 0.119 0.000 1.118 274 F CA -0.533 57.206 58.000 -0.435 0.000 0.959 274 F CB 1.428 39.675 39.000 -1.256 0.000 1.305 274 F HN 0.768 nan 8.300 nan 0.000 0.443 275 H N 2.773 121.342 119.070 -0.834 0.000 2.822 275 H HA -0.171 4.386 4.556 0.001 0.000 0.295 275 H C 1.113 176.424 175.328 -0.030 0.000 1.151 275 H CA 0.964 56.737 56.048 -0.459 0.000 1.151 275 H CB -0.823 28.785 29.762 -0.255 0.000 1.343 275 H HN 1.676 nan 8.280 nan 0.000 0.382 276 G N 0.089 108.992 108.800 0.172 0.000 2.198 276 G HA2 -0.318 3.643 3.960 0.001 0.000 0.257 276 G HA3 -0.318 3.643 3.960 0.001 0.000 0.257 276 G C 0.164 175.284 174.900 0.367 0.000 1.042 276 G CA 0.779 46.033 45.100 0.257 0.000 0.791 276 G HN 0.760 nan 8.290 nan 0.000 0.502 277 M N -2.340 117.572 119.600 0.520 0.000 2.569 277 M HA 0.855 5.336 4.480 0.001 0.000 0.279 277 M C -1.225 175.514 176.300 0.731 0.000 1.253 277 M CA -1.460 54.216 55.300 0.627 0.000 0.867 277 M CB 1.954 34.822 32.600 0.446 0.000 1.727 277 M HN 0.301 nan 8.290 nan 0.000 0.467 278 L N 1.716 123.392 121.223 0.755 0.000 2.272 278 L HA 0.851 5.191 4.340 0.001 0.000 0.289 278 L C -0.519 176.751 176.870 0.667 0.000 1.032 278 L CA 0.785 55.988 54.840 0.605 0.000 0.810 278 L CB 1.362 43.703 42.059 0.471 0.000 1.205 278 L HN 0.974 nan 8.230 nan 0.000 0.422 279 S N 2.829 118.887 115.700 0.597 0.000 2.680 279 S HA 0.476 4.947 4.470 0.001 0.000 0.276 279 S C -1.650 173.016 174.600 0.110 0.000 1.189 279 S CA -0.569 57.833 58.200 0.336 0.000 0.909 279 S CB 0.065 63.309 63.200 0.074 0.000 1.227 279 S HN 0.318 nan 8.310 nan 0.000 0.501 280 Y N 0.940 121.077 120.300 -0.271 0.000 2.304 280 Y HA 0.661 5.211 4.550 0.001 0.000 0.328 280 Y C -0.205 175.405 175.900 -0.484 0.000 1.123 280 Y CA 0.035 58.012 58.100 -0.205 0.000 1.218 280 Y CB 0.625 38.971 38.460 -0.190 0.000 1.207 280 Y HN 0.441 nan 8.280 nan 0.000 0.495 281 F N 1.647 121.700 119.950 0.173 0.000 2.613 281 F HA 0.482 5.009 4.527 0.001 0.000 0.310 281 F C -0.983 174.840 175.800 0.038 0.000 1.085 281 F CA -1.092 56.961 58.000 0.088 0.000 0.945 281 F CB 1.399 40.416 39.000 0.028 0.000 1.298 281 F HN 0.087 nan 8.300 nan 0.000 0.455 282 L N 3.224 124.551 121.223 0.173 0.000 2.268 282 L HA 0.417 4.757 4.340 0.001 0.000 0.289 282 L C -0.631 176.250 176.870 0.019 0.000 1.064 282 L CA -0.110 54.777 54.840 0.079 0.000 0.824 282 L CB 0.445 42.514 42.059 0.017 0.000 1.202 282 L HN 0.602 nan 8.230 nan 0.000 0.433 283 Q N 1.412 121.227 119.800 0.024 0.000 2.399 283 Q HA 0.369 4.709 4.340 0.001 0.000 0.276 283 Q C -1.049 174.939 176.000 -0.020 0.000 1.098 283 Q CA -1.095 54.692 55.803 -0.027 0.000 0.827 283 Q CB 2.577 31.299 28.738 -0.026 0.000 1.386 283 Q HN 0.596 nan 8.270 nan 0.000 0.443 284 D N -1.023 119.354 120.400 -0.039 0.000 2.451 284 D HA -0.044 4.597 4.640 0.001 0.000 0.259 284 D C 0.591 176.880 176.300 -0.018 0.000 1.201 284 D CA -0.507 53.478 54.000 -0.026 0.000 1.028 284 D CB 0.431 41.210 40.800 -0.035 0.000 1.095 284 D HN 0.656 nan 8.370 nan 0.000 0.539 285 E N -0.966 119.227 120.200 -0.012 0.000 2.455 285 E HA -0.236 4.114 4.350 0.001 0.000 0.202 285 E C 0.344 176.936 176.600 -0.014 0.000 1.045 285 E CA 1.011 57.407 56.400 -0.008 0.000 0.872 285 E CB -0.470 29.227 29.700 -0.005 0.000 0.792 285 E HN 0.605 nan 8.360 nan 0.000 0.542 286 E N -0.073 120.114 120.200 -0.022 0.000 2.558 286 E HA 0.182 4.533 4.350 0.001 0.000 0.205 286 E C 0.616 177.195 176.600 -0.034 0.000 1.006 286 E CA 0.078 56.463 56.400 -0.025 0.000 0.961 286 E CB 1.000 30.684 29.700 -0.026 0.000 1.044 286 E HN 0.413 nan 8.360 nan 0.000 0.465 287 G N 1.718 110.496 108.800 -0.037 0.000 2.155 287 G HA2 -0.266 3.695 3.960 0.001 0.000 0.257 287 G HA3 -0.266 3.695 3.960 0.001 0.000 0.257 287 G C 0.192 175.042 174.900 -0.084 0.000 0.983 287 G CA 0.149 45.219 45.100 -0.050 0.000 0.676 287 G HN 0.142 nan 8.290 nan 0.000 0.528 288 Q N -0.136 119.611 119.800 -0.088 0.000 2.222 288 Q HA 0.473 4.814 4.340 0.001 0.000 0.252 288 Q C 0.901 176.799 176.000 -0.170 0.000 0.926 288 Q CA -0.963 54.766 55.803 -0.124 0.000 0.899 288 Q CB 1.252 29.936 28.738 -0.091 0.000 1.250 288 Q HN 0.259 nan 8.270 nan 0.000 0.441 289 I N 2.081 122.488 120.570 -0.271 0.000 2.752 289 I HA -0.087 4.083 4.170 0.001 0.000 0.286 289 I C 0.918 176.914 176.117 -0.201 0.000 1.180 289 I CA 0.562 61.662 61.300 -0.334 0.000 1.404 289 I CB -0.433 37.224 38.000 -0.572 0.000 1.389 289 I HN 0.391 nan 8.210 nan 0.000 0.549 290 K N 8.612 128.923 120.400 -0.149 0.000 2.144 290 K HA 0.403 4.723 4.320 0.001 0.000 0.270 290 K C -2.413 174.123 176.600 -0.107 0.000 1.005 290 K CA -1.372 54.852 56.287 -0.105 0.000 0.932 290 K CB 0.895 33.349 32.500 -0.077 0.000 1.021 290 K HN 0.215 nan 8.250 nan 0.000 0.462 291 P HA 0.016 nan 4.420 nan 0.000 0.268 291 P C -1.059 176.197 177.300 -0.074 0.000 1.205 291 P CA -0.153 62.905 63.100 -0.069 0.000 0.771 291 P CB 0.905 32.575 31.700 -0.049 0.000 0.858 292 T N -0.257 114.268 114.554 -0.049 0.000 2.940 292 T HA 0.626 4.977 4.350 0.001 0.000 0.288 292 T C -0.975 173.751 174.700 0.044 0.000 1.033 292 T CA -0.577 61.497 62.100 -0.044 0.000 1.033 292 T CB 1.266 70.111 68.868 -0.039 0.000 1.079 292 T HN 0.518 nan 8.240 nan 0.000 0.496 293 H N -0.101 118.934 119.070 -0.058 0.000 2.930 293 H HA 0.720 5.277 4.556 0.001 0.000 0.371 293 H C -1.216 174.127 175.328 0.025 0.000 1.169 293 H CA -0.216 55.824 56.048 -0.014 0.000 1.157 293 H CB 2.024 31.778 29.762 -0.014 0.000 1.789 293 H HN 0.935 nan 8.280 nan 0.000 0.547 294 S N 3.768 118.945 115.700 -0.873 0.000 2.580 294 S HA 0.173 4.643 4.470 0.001 0.000 0.281 294 S C 0.216 174.551 174.600 -0.443 0.000 1.129 294 S CA -0.498 57.347 58.200 -0.592 0.000 0.862 294 S CB 0.689 63.761 63.200 -0.213 0.000 1.090 294 S HN 0.798 nan 8.310 nan 0.000 0.451 295 I N 2.617 123.062 120.570 -0.208 0.000 2.676 295 I HA 0.209 4.380 4.170 0.001 0.000 0.259 295 I C 0.919 177.027 176.117 -0.015 0.000 1.194 295 I CA 0.967 62.234 61.300 -0.055 0.000 1.473 295 I CB -0.263 37.738 38.000 0.001 0.000 1.096 295 I HN 0.711 nan 8.210 nan 0.000 0.443 296 A N 1.230 124.054 122.820 0.006 0.000 2.269 296 A HA 0.388 4.708 4.320 0.001 0.000 0.302 296 A C -1.766 175.796 177.584 -0.038 0.000 1.266 296 A CA -1.336 50.702 52.037 0.001 0.000 0.894 296 A CB 0.068 19.042 19.000 -0.043 0.000 1.147 296 A HN 0.095 nan 8.150 nan 0.000 0.537 297 P HA -0.147 nan 4.420 nan 0.000 0.215 297 P C 1.695 179.000 177.300 0.007 0.000 1.157 297 P CA 1.957 65.058 63.100 0.003 0.000 0.868 297 P CB 0.210 31.920 31.700 0.017 0.000 0.788 298 G N -0.712 108.093 108.800 0.008 0.000 2.559 298 G HA2 -0.135 3.825 3.960 0.001 0.000 0.216 298 G HA3 -0.135 3.825 3.960 0.001 0.000 0.216 298 G C 0.779 175.682 174.900 0.004 0.000 1.126 298 G CA 0.136 45.246 45.100 0.018 0.000 0.778 298 G HN 0.250 nan 8.290 nan 0.000 0.543 299 L N 1.855 123.053 121.223 -0.042 0.000 2.990 299 L HA 0.208 4.549 4.340 0.001 0.000 0.231 299 L C 0.956 177.815 176.870 -0.020 0.000 1.341 299 L CA -0.215 54.585 54.840 -0.066 0.000 1.208 299 L CB 0.261 42.203 42.059 -0.194 0.000 1.571 299 L HN 0.269 nan 8.230 nan 0.000 0.453 300 D N -1.279 119.145 120.400 0.040 0.000 2.423 300 D HA -0.123 4.517 4.640 0.001 0.000 0.212 300 D C 0.788 177.151 176.300 0.105 0.000 1.060 300 D CA -0.315 53.717 54.000 0.054 0.000 0.872 300 D CB -0.011 40.820 40.800 0.052 0.000 1.012 300 D HN 0.128 nan 8.370 nan 0.000 0.503 301 Y N 3.795 124.116 120.300 0.035 0.000 2.895 301 Y HA -0.010 4.540 4.550 0.001 0.000 0.334 301 Y C -1.367 174.585 175.900 0.087 0.000 1.261 301 Y CA -0.766 57.386 58.100 0.086 0.000 1.560 301 Y CB 0.743 39.257 38.460 0.090 0.000 1.253 301 Y HN -0.070 nan 8.280 nan 0.000 0.582 302 P HA 0.132 nan 4.420 nan 0.000 0.253 302 P C 0.057 177.381 177.300 0.040 0.000 1.281 302 P CA 0.935 63.954 63.100 -0.135 0.000 0.792 302 P CB 0.183 31.732 31.700 -0.252 0.000 1.193 303 G N -1.207 107.683 108.800 0.150 0.000 2.947 303 G HA2 0.543 4.504 3.960 0.001 0.000 0.293 303 G HA3 0.543 4.504 3.960 0.001 0.000 0.293 303 G C -1.783 173.246 174.900 0.215 0.000 1.243 303 G CA -0.343 44.834 45.100 0.129 0.000 0.802 303 G HN 0.043 nan 8.290 nan 0.000 0.560 304 V N -1.070 118.815 119.914 -0.049 0.000 3.120 304 V HA 0.758 4.879 4.120 0.001 0.000 0.303 304 V C 0.450 176.477 176.094 -0.111 0.000 1.238 304 V CA 0.180 62.425 62.300 -0.090 0.000 1.008 304 V CB 1.758 33.462 31.823 -0.199 0.000 1.064 304 V HN 1.615 nan 8.190 nan 0.000 0.434 305 G N 4.278 113.036 108.800 -0.070 0.000 2.491 305 G HA2 0.366 4.326 3.960 0.001 0.000 0.238 305 G HA3 0.366 4.326 3.960 0.001 0.000 0.238 305 G C -1.333 173.496 174.900 -0.118 0.000 1.277 305 G CA -0.127 44.923 45.100 -0.083 0.000 0.851 305 G HN 0.691 nan 8.290 nan 0.000 0.573 306 P HA -0.131 nan 4.420 nan 0.000 0.218 306 P C 1.218 178.391 177.300 -0.211 0.000 1.149 306 P CA 1.184 64.271 63.100 -0.021 0.000 0.817 306 P CB 0.348 32.196 31.700 0.246 0.000 0.785 307 E N -0.975 118.838 120.200 -0.646 0.000 2.153 307 E HA -0.213 4.138 4.350 0.001 0.000 0.194 307 E C 2.114 178.591 176.600 -0.205 0.000 0.988 307 E CA 0.894 56.901 56.400 -0.656 0.000 0.811 307 E CB -0.281 28.873 29.700 -0.910 0.000 0.746 307 E HN 0.297 nan 8.360 nan 0.000 0.466 308 H N -0.565 118.414 119.070 -0.152 0.000 2.395 308 H HA 0.031 4.587 4.556 0.001 0.000 0.299 308 H C 2.026 177.169 175.328 -0.308 0.000 1.070 308 H CA 1.240 57.216 56.048 -0.120 0.000 1.356 308 H CB -0.222 29.399 29.762 -0.235 0.000 1.401 308 H HN 0.313 nan 8.280 nan 0.000 0.524 309 A N 0.998 123.633 122.820 -0.309 0.000 1.892 309 A HA -0.264 4.056 4.320 0.001 0.000 0.218 309 A C 2.308 179.685 177.584 -0.345 0.000 1.188 309 A CA 1.826 53.485 52.037 -0.631 0.000 0.631 309 A CB -1.121 17.182 19.000 -1.163 0.000 0.822 309 A HN 0.466 nan 8.150 nan 0.000 0.447 310 Y N 0.544 120.766 120.300 -0.130 0.000 2.114 310 Y HA -0.181 4.370 4.550 0.001 0.000 0.284 310 Y C 2.020 178.031 175.900 0.184 0.000 1.143 310 Y CA 1.870 60.119 58.100 0.248 0.000 1.135 310 Y CB -0.569 38.121 38.460 0.383 0.000 0.980 310 Y HN 0.211 nan 8.280 nan 0.000 0.499 311 L N 0.470 121.723 121.223 0.050 0.000 2.079 311 L HA -0.271 4.070 4.340 0.001 0.000 0.210 311 L C 2.652 179.558 176.870 0.059 0.000 1.081 311 L CA 1.991 56.831 54.840 -0.000 0.000 0.752 311 L CB -0.630 41.554 42.059 0.209 0.000 0.896 311 L HN 0.223 nan 8.230 nan 0.000 0.433 312 K N 0.799 121.266 120.400 0.111 0.000 2.057 312 K HA -0.249 4.071 4.320 0.001 0.000 0.207 312 K C 2.209 178.829 176.600 0.035 0.000 1.049 312 K CA 1.588 57.935 56.287 0.100 0.000 0.931 312 K CB 0.069 32.444 32.500 -0.208 0.000 0.714 312 K HN 0.129 nan 8.250 nan 0.000 0.440 313 K N 1.317 121.739 120.400 0.036 0.000 1.984 313 K HA -0.100 4.221 4.320 0.001 0.000 0.209 313 K C 1.985 178.594 176.600 0.014 0.000 1.046 313 K CA 1.664 58.009 56.287 0.096 0.000 0.934 313 K CB -0.275 32.384 32.500 0.264 0.000 0.717 313 K HN 0.373 nan 8.250 nan 0.000 0.438 314 I N -0.570 119.932 120.570 -0.112 0.000 3.454 314 I HA -0.054 4.117 4.170 0.001 0.000 0.297 314 I C -0.364 175.706 176.117 -0.078 0.000 1.298 314 I CA 0.574 61.796 61.300 -0.129 0.000 1.297 314 I CB -0.597 37.227 38.000 -0.294 0.000 1.017 314 I HN 0.354 nan 8.210 nan 0.000 0.528 315 Q N 0.437 120.212 119.800 -0.040 0.000 2.437 315 Q HA -0.289 4.051 4.340 0.001 0.000 0.274 315 Q C 1.275 177.246 176.000 -0.049 0.000 1.165 315 Q CA 0.964 56.754 55.803 -0.022 0.000 0.925 315 Q CB -1.089 27.642 28.738 -0.012 0.000 1.327 315 Q HN 0.642 nan 8.270 nan 0.000 0.505 316 R N 0.520 120.979 120.500 -0.069 0.000 2.153 316 R HA 0.200 4.540 4.340 0.001 0.000 0.218 316 R C 0.059 176.281 176.300 -0.130 0.000 1.072 316 R CA 1.556 57.605 56.100 -0.086 0.000 0.990 316 R CB 0.497 30.749 30.300 -0.079 0.000 0.889 316 R HN 0.317 nan 8.270 nan 0.000 0.452 317 A N -0.063 122.692 122.820 -0.110 0.000 2.414 317 A HA 0.475 4.795 4.320 0.001 0.000 0.306 317 A C -1.444 175.987 177.584 -0.255 0.000 1.054 317 A CA -0.741 51.138 52.037 -0.264 0.000 0.724 317 A CB 1.202 20.017 19.000 -0.308 0.000 1.267 317 A HN 0.306 nan 8.150 nan 0.000 0.418 318 E N 1.399 121.371 120.200 -0.380 0.000 2.175 318 E HA 0.554 4.905 4.350 0.001 0.000 0.278 318 E C -1.816 174.505 176.600 -0.466 0.000 0.969 318 E CA -0.342 55.903 56.400 -0.257 0.000 0.796 318 E CB 0.829 30.436 29.700 -0.156 0.000 1.104 318 E HN 0.561 nan 8.360 nan 0.000 0.395 319 Y N 3.194 123.430 120.300 -0.106 0.000 2.328 319 Y HA 0.319 4.869 4.550 0.001 0.000 0.337 319 Y C 0.380 176.180 175.900 -0.167 0.000 0.966 319 Y CA -0.675 57.341 58.100 -0.140 0.000 1.136 319 Y CB 1.615 39.987 38.460 -0.148 0.000 1.170 319 Y HN 0.394 nan 8.280 nan 0.000 0.470 320 V N -0.580 119.254 119.914 -0.134 0.000 3.240 320 V HA 0.962 5.082 4.120 0.001 0.000 0.306 320 V C -0.251 175.780 176.094 -0.106 0.000 1.227 320 V CA -0.743 61.455 62.300 -0.170 0.000 1.047 320 V CB 1.747 33.317 31.823 -0.422 0.000 1.203 320 V HN 0.741 nan 8.190 nan 0.000 0.471 321 T N -2.133 112.386 114.554 -0.058 0.000 2.883 321 T HA 0.820 5.170 4.350 0.001 0.000 0.301 321 T C -1.154 173.584 174.700 0.064 0.000 1.158 321 T CA -0.650 61.453 62.100 0.006 0.000 1.007 321 T CB 1.576 70.442 68.868 -0.004 0.000 1.186 321 T HN 1.091 nan 8.240 nan 0.000 0.499 322 V N 1.996 121.976 119.914 0.109 0.000 2.808 322 V HA 0.659 4.779 4.120 0.001 0.000 0.308 322 V C 0.571 176.704 176.094 0.065 0.000 1.099 322 V CA -0.745 61.610 62.300 0.093 0.000 0.920 322 V CB 2.276 34.147 31.823 0.081 0.000 1.014 322 V HN 1.344 nan 8.190 nan 0.000 0.425 323 T N -0.575 113.992 114.554 0.022 0.000 2.882 323 T HA 0.200 4.550 4.350 0.001 0.000 0.287 323 T C 0.783 175.460 174.700 -0.039 0.000 1.014 323 T CA -0.387 61.730 62.100 0.028 0.000 1.049 323 T CB 0.927 69.816 68.868 0.035 0.000 1.001 323 T HN 0.580 nan 8.240 nan 0.000 0.525 324 D N 0.256 120.666 120.400 0.017 0.000 2.149 324 D HA -0.161 4.479 4.640 0.001 0.000 0.194 324 D C 1.803 178.081 176.300 -0.037 0.000 1.001 324 D CA 1.727 55.723 54.000 -0.006 0.000 0.849 324 D CB -0.251 40.586 40.800 0.061 0.000 0.939 324 D HN 0.899 nan 8.370 nan 0.000 0.449 325 E N 0.538 120.735 120.200 -0.004 0.000 2.085 325 E HA -0.211 4.139 4.350 0.001 0.000 0.194 325 E C 1.740 178.332 176.600 -0.013 0.000 0.994 325 E CA 1.071 57.471 56.400 0.000 0.000 0.801 325 E CB 0.104 29.811 29.700 0.012 0.000 0.743 325 E HN 0.371 nan 8.360 nan 0.000 0.453 326 E N 0.283 120.462 120.200 -0.035 0.000 2.047 326 E HA -0.172 4.179 4.350 0.001 0.000 0.191 326 E C 2.119 178.681 176.600 -0.064 0.000 0.987 326 E CA 0.839 57.218 56.400 -0.035 0.000 0.799 326 E CB -0.176 29.505 29.700 -0.031 0.000 0.752 326 E HN 0.335 nan 8.360 nan 0.000 0.449 327 A N 1.559 124.267 122.820 -0.188 0.000 1.865 327 A HA -0.211 4.109 4.320 0.001 0.000 0.217 327 A C 2.211 179.781 177.584 -0.022 0.000 1.191 327 A CA 1.280 53.174 52.037 -0.238 0.000 0.623 327 A CB -0.738 17.887 19.000 -0.625 0.000 0.826 327 A HN 0.193 nan 8.150 nan 0.000 0.444 328 L N -0.079 121.135 121.223 -0.015 0.000 2.042 328 L HA -0.196 4.145 4.340 0.001 0.000 0.210 328 L C 2.366 179.376 176.870 0.234 0.000 1.076 328 L CA 2.073 56.949 54.840 0.059 0.000 0.749 328 L CB -0.439 41.645 42.059 0.040 0.000 0.893 328 L HN 0.326 nan 8.230 nan 0.000 0.432 329 K N -1.003 119.489 120.400 0.154 0.000 2.025 329 K HA -0.075 4.245 4.320 0.001 0.000 0.207 329 K C 2.033 178.740 176.600 0.178 0.000 1.049 329 K CA 1.333 57.720 56.287 0.166 0.000 0.933 329 K CB -0.431 32.112 32.500 0.072 0.000 0.714 329 K HN 0.410 nan 8.250 nan 0.000 0.438 330 A N 1.223 124.118 122.820 0.124 0.000 1.933 330 A HA -0.177 4.143 4.320 0.001 0.000 0.218 330 A C 2.013 179.676 177.584 0.132 0.000 1.175 330 A CA 1.132 53.229 52.037 0.100 0.000 0.628 330 A CB -0.716 18.325 19.000 0.069 0.000 0.814 330 A HN 0.347 nan 8.150 nan 0.000 0.444 331 F N 0.225 120.173 119.950 -0.003 0.000 2.069 331 F HA -0.260 4.268 4.527 0.001 0.000 0.298 331 F C 2.536 178.281 175.800 -0.093 0.000 1.113 331 F CA 2.351 60.311 58.000 -0.067 0.000 1.214 331 F CB -0.274 38.648 39.000 -0.130 0.000 0.978 331 F HN 0.370 nan 8.300 nan 0.000 0.474 332 H N -0.289 118.971 119.070 0.316 0.000 2.423 332 H HA -0.103 4.454 4.556 0.001 0.000 0.297 332 H C 2.220 177.569 175.328 0.034 0.000 1.075 332 H CA 1.450 57.602 56.048 0.174 0.000 1.342 332 H CB -0.174 29.686 29.762 0.164 0.000 1.395 332 H HN 0.377 nan 8.280 nan 0.000 0.530 333 E N 0.968 121.253 120.200 0.141 0.000 2.028 333 E HA -0.107 4.244 4.350 0.001 0.000 0.191 333 E C 2.507 179.105 176.600 -0.004 0.000 0.988 333 E CA 0.121 56.555 56.400 0.057 0.000 0.799 333 E CB -0.311 29.417 29.700 0.047 0.000 0.755 333 E HN 0.339 nan 8.360 nan 0.000 0.447 334 L N 0.953 122.152 121.223 -0.040 0.000 2.042 334 L HA -0.202 4.139 4.340 0.001 0.000 0.210 334 L C 2.377 179.176 176.870 -0.117 0.000 1.076 334 L CA 1.188 55.981 54.840 -0.078 0.000 0.749 334 L CB -0.328 41.669 42.059 -0.102 0.000 0.893 334 L HN 0.100 nan 8.230 nan 0.000 0.432 335 S N 0.136 115.730 115.700 -0.176 0.000 2.353 335 S HA -0.211 4.259 4.470 0.001 0.000 0.222 335 S C 1.711 176.259 174.600 -0.087 0.000 1.035 335 S CA 1.818 59.911 58.200 -0.179 0.000 1.025 335 S CB -0.213 62.844 63.200 -0.238 0.000 0.902 335 S HN 0.557 nan 8.310 nan 0.000 0.440 336 R N 0.489 120.966 120.500 -0.038 0.000 2.275 336 R HA 0.175 4.515 4.340 0.001 0.000 0.199 336 R C 1.431 177.717 176.300 -0.022 0.000 0.989 336 R CA 1.081 57.171 56.100 -0.017 0.000 1.016 336 R CB -0.541 29.767 30.300 0.013 0.000 0.918 336 R HN 0.203 nan 8.270 nan 0.000 0.473 337 T N 0.449 114.986 114.554 -0.029 0.000 3.033 337 T HA 0.101 4.452 4.350 0.001 0.000 0.248 337 T C 1.118 175.801 174.700 -0.028 0.000 1.040 337 T CA 0.466 62.549 62.100 -0.027 0.000 1.133 337 T CB 0.293 69.145 68.868 -0.026 0.000 0.895 337 T HN 0.158 nan 8.240 nan 0.000 0.465 338 E N 0.158 120.338 120.200 -0.034 0.000 2.562 338 E HA 0.286 4.636 4.350 0.001 0.000 0.214 338 E C 1.250 177.801 176.600 -0.082 0.000 0.979 338 E CA 0.259 56.647 56.400 -0.020 0.000 1.002 338 E CB 0.766 30.488 29.700 0.036 0.000 1.048 338 E HN 0.469 nan 8.360 nan 0.000 0.488 339 G N 2.129 110.877 108.800 -0.087 0.000 2.176 339 G HA2 -0.274 3.686 3.960 0.001 0.000 0.252 339 G HA3 -0.274 3.686 3.960 0.001 0.000 0.252 339 G C 0.194 175.010 174.900 -0.139 0.000 1.024 339 G CA 0.392 45.430 45.100 -0.104 0.000 0.755 339 G HN 0.244 nan 8.290 nan 0.000 0.507 340 I N 0.662 121.140 120.570 -0.154 0.000 2.410 340 I HA 0.411 4.581 4.170 0.001 0.000 0.286 340 I C 0.391 176.377 176.117 -0.218 0.000 1.009 340 I CA -1.011 60.185 61.300 -0.173 0.000 1.111 340 I CB 1.610 39.511 38.000 -0.165 0.000 1.262 340 I HN -0.056 nan 8.210 nan 0.000 0.443 341 I N 8.712 129.139 120.570 -0.238 0.000 2.301 341 I HA 0.267 4.438 4.170 0.001 0.000 0.292 341 I C -2.062 173.871 176.117 -0.307 0.000 1.046 341 I CA -1.606 59.463 61.300 -0.385 0.000 1.282 341 I CB 0.741 38.559 38.000 -0.303 0.000 1.409 341 I HN 0.263 nan 8.210 nan 0.000 0.484 342 P HA 0.284 nan 4.420 nan 0.000 0.282 342 P C -0.583 176.737 177.300 0.034 0.000 1.259 342 P CA -0.440 62.582 63.100 -0.131 0.000 0.826 342 P CB 1.486 33.131 31.700 -0.093 0.000 1.064 343 A N 2.124 125.003 122.820 0.099 0.000 2.425 343 A HA 0.137 4.457 4.320 0.001 0.000 0.242 343 A C 1.643 179.370 177.584 0.239 0.000 1.077 343 A CA -0.299 51.837 52.037 0.164 0.000 0.781 343 A CB -0.641 18.425 19.000 0.110 0.000 1.020 343 A HN 0.632 nan 8.150 nan 0.000 0.494 344 L N 0.311 121.674 121.223 0.233 0.000 2.201 344 L HA -0.151 4.189 4.340 0.001 0.000 0.212 344 L C 2.235 179.267 176.870 0.269 0.000 1.105 344 L CA 1.249 56.228 54.840 0.232 0.000 0.775 344 L CB -0.382 41.738 42.059 0.101 0.000 0.913 344 L HN 0.838 nan 8.230 nan 0.000 0.440 345 E N -0.118 120.169 120.200 0.145 0.000 2.017 345 E HA -0.167 4.183 4.350 0.001 0.000 0.193 345 E C 2.315 178.994 176.600 0.132 0.000 0.997 345 E CA 1.615 58.043 56.400 0.046 0.000 0.804 345 E CB -0.274 29.433 29.700 0.010 0.000 0.757 345 E HN 0.237 nan 8.360 nan 0.000 0.448 346 S N 0.636 116.412 115.700 0.127 0.000 2.400 346 S HA -0.181 4.289 4.470 0.001 0.000 0.232 346 S C 2.055 176.748 174.600 0.155 0.000 1.025 346 S CA 0.898 59.167 58.200 0.114 0.000 0.993 346 S CB -0.400 62.850 63.200 0.083 0.000 0.808 346 S HN 0.404 nan 8.310 nan 0.000 0.478 347 A N 1.302 124.245 122.820 0.205 0.000 2.024 347 A HA -0.187 4.133 4.320 0.001 0.000 0.220 347 A C 1.735 179.408 177.584 0.148 0.000 1.164 347 A CA 1.712 53.857 52.037 0.179 0.000 0.643 347 A CB -0.774 18.366 19.000 0.233 0.000 0.806 347 A HN 0.531 nan 8.150 nan 0.000 0.451 348 H N -0.370 118.745 119.070 0.075 0.000 2.353 348 H HA 0.058 4.614 4.556 0.001 0.000 0.300 348 H C 2.456 177.835 175.328 0.085 0.000 1.090 348 H CA 1.676 57.764 56.048 0.068 0.000 1.327 348 H CB -0.249 29.535 29.762 0.037 0.000 1.383 348 H HN 0.509 nan 8.280 nan 0.000 0.508 349 A N 0.185 123.123 122.820 0.196 0.000 1.930 349 A HA -0.100 4.220 4.320 0.001 0.000 0.217 349 A C 2.578 180.254 177.584 0.152 0.000 1.175 349 A CA 1.449 53.576 52.037 0.151 0.000 0.627 349 A CB -0.735 18.322 19.000 0.094 0.000 0.815 349 A HN 0.236 nan 8.150 nan 0.000 0.443 350 V N 0.042 120.027 119.914 0.119 0.000 2.261 350 V HA -0.268 3.853 4.120 0.001 0.000 0.246 350 V C 3.079 179.221 176.094 0.080 0.000 1.047 350 V CA 1.959 64.311 62.300 0.088 0.000 1.015 350 V CB -1.411 30.452 31.823 0.066 0.000 0.642 350 V HN 0.617 nan 8.190 nan 0.000 0.446 351 A N -0.723 122.145 122.820 0.080 0.000 1.869 351 A HA -0.346 3.974 4.320 0.001 0.000 0.218 351 A C 2.194 179.819 177.584 0.068 0.000 1.203 351 A CA 2.589 54.660 52.037 0.057 0.000 0.638 351 A CB -1.024 17.994 19.000 0.031 0.000 0.831 351 A HN 0.657 nan 8.150 nan 0.000 0.450 352 Y N 0.322 120.632 120.300 0.016 0.000 2.181 352 Y HA -0.056 4.494 4.550 0.001 0.000 0.288 352 Y C 2.666 178.574 175.900 0.014 0.000 1.146 352 Y CA 1.386 59.495 58.100 0.016 0.000 1.164 352 Y CB -0.393 38.082 38.460 0.024 0.000 0.982 352 Y HN 0.325 nan 8.280 nan 0.000 0.515 353 A N 0.044 122.927 122.820 0.104 0.000 2.019 353 A HA -0.214 4.107 4.320 0.001 0.000 0.219 353 A C 2.210 179.761 177.584 -0.056 0.000 1.164 353 A CA 1.934 53.992 52.037 0.035 0.000 0.644 353 A CB -0.723 18.329 19.000 0.088 0.000 0.805 353 A HN 0.614 nan 8.150 nan 0.000 0.449 354 M N -0.956 118.611 119.600 -0.054 0.000 2.200 354 M HA -0.104 4.377 4.480 0.001 0.000 0.265 354 M C 2.069 178.304 176.300 -0.109 0.000 1.066 354 M CA 1.423 56.687 55.300 -0.061 0.000 1.127 354 M CB -0.214 32.366 32.600 -0.033 0.000 1.379 354 M HN 0.319 nan 8.290 nan 0.000 0.420 355 K N 0.218 120.510 120.400 -0.180 0.000 2.025 355 K HA -0.138 4.182 4.320 0.001 0.000 0.207 355 K C 1.902 178.355 176.600 -0.245 0.000 1.049 355 K CA 1.078 57.236 56.287 -0.215 0.000 0.933 355 K CB -0.360 31.962 32.500 -0.296 0.000 0.714 355 K HN 0.122 nan 8.250 nan 0.000 0.438 356 L N 1.357 122.364 121.223 -0.360 0.000 2.042 356 L HA -0.177 4.164 4.340 0.001 0.000 0.210 356 L C 2.274 179.067 176.870 -0.129 0.000 1.076 356 L CA 1.799 56.476 54.840 -0.271 0.000 0.749 356 L CB -0.723 41.170 42.059 -0.277 0.000 0.893 356 L HN 0.164 nan 8.230 nan 0.000 0.432 357 A N -0.780 121.981 122.820 -0.097 0.000 1.908 357 A HA -0.313 4.008 4.320 0.001 0.000 0.218 357 A C 2.439 179.996 177.584 -0.046 0.000 1.181 357 A CA 2.108 54.116 52.037 -0.048 0.000 0.627 357 A CB -0.676 18.306 19.000 -0.030 0.000 0.818 357 A HN 0.482 nan 8.150 nan 0.000 0.445 358 K N 0.068 120.432 120.400 -0.059 0.000 2.113 358 K HA -0.191 4.130 4.320 0.001 0.000 0.208 358 K C 0.981 177.556 176.600 -0.042 0.000 1.047 358 K CA 1.814 58.073 56.287 -0.047 0.000 0.928 358 K CB -0.164 32.303 32.500 -0.054 0.000 0.716 358 K HN 0.645 nan 8.250 nan 0.000 0.446 359 E N 0.108 120.276 120.200 -0.053 0.000 2.335 359 E HA 0.095 4.445 4.350 0.001 0.000 0.191 359 E C -0.237 176.343 176.600 -0.033 0.000 1.077 359 E CA -0.129 56.246 56.400 -0.042 0.000 1.010 359 E CB 0.274 29.944 29.700 -0.050 0.000 1.141 359 E HN 0.276 nan 8.360 nan 0.000 0.452 360 M N -0.010 119.574 119.600 -0.028 0.000 2.755 360 M HA 0.271 4.752 4.480 0.001 0.000 0.298 360 M C -0.040 176.253 176.300 -0.011 0.000 1.251 360 M CA -0.913 54.376 55.300 -0.019 0.000 0.817 360 M CB 2.166 34.755 32.600 -0.018 0.000 1.760 360 M HN -0.091 nan 8.290 nan 0.000 0.473 361 S N -0.341 115.354 115.700 -0.008 0.000 2.632 361 S HA 0.413 4.883 4.470 0.001 0.000 0.271 361 S C 0.468 175.070 174.600 0.004 0.000 1.260 361 S CA -0.811 57.387 58.200 -0.003 0.000 1.010 361 S CB 1.040 64.237 63.200 -0.005 0.000 0.965 361 S HN 0.737 nan 8.310 nan 0.000 0.534 362 R N 0.775 121.280 120.500 0.008 0.000 2.328 362 R HA -0.026 4.314 4.340 0.001 0.000 0.207 362 R C 0.630 176.941 176.300 0.018 0.000 1.056 362 R CA 1.213 57.324 56.100 0.018 0.000 1.016 362 R CB -0.415 29.895 30.300 0.017 0.000 0.872 362 R HN 0.831 nan 8.270 nan 0.000 0.471 363 D N -0.114 120.290 120.400 0.007 0.000 2.379 363 D HA -0.007 4.634 4.640 0.001 0.000 0.208 363 D C 0.007 176.306 176.300 -0.002 0.000 1.065 363 D CA -0.033 53.967 54.000 -0.000 0.000 0.848 363 D CB 0.209 41.005 40.800 -0.007 0.000 0.949 363 D HN 0.118 nan 8.370 nan 0.000 0.509 364 E N 0.503 120.704 120.200 0.003 0.000 2.343 364 E HA 0.457 4.808 4.350 0.001 0.000 0.269 364 E C -0.228 176.380 176.600 0.014 0.000 1.047 364 E CA -0.409 55.990 56.400 -0.002 0.000 0.874 364 E CB 2.045 31.742 29.700 -0.006 0.000 1.033 364 E HN 0.149 nan 8.360 nan 0.000 0.409 365 I N 3.628 124.195 120.570 -0.005 0.000 2.404 365 I HA 0.355 4.526 4.170 0.001 0.000 0.293 365 I C -0.369 175.750 176.117 0.004 0.000 0.992 365 I CA -0.497 60.807 61.300 0.007 0.000 1.149 365 I CB 1.042 38.995 38.000 -0.078 0.000 1.315 365 I HN 0.284 nan 8.210 nan 0.000 0.446 366 I N 6.926 127.537 120.570 0.069 0.000 2.465 366 I HA 0.465 4.635 4.170 0.001 0.000 0.291 366 I C -0.551 175.624 176.117 0.097 0.000 1.014 366 I CA -0.569 60.763 61.300 0.052 0.000 1.093 366 I CB 2.195 40.232 38.000 0.062 0.000 1.267 366 I HN 0.366 nan 8.210 nan 0.000 0.431 367 I N 6.402 126.994 120.570 0.037 0.000 2.378 367 I HA 0.403 4.573 4.170 0.001 0.000 0.291 367 I C -0.562 175.602 176.117 0.078 0.000 0.992 367 I CA -0.854 60.488 61.300 0.069 0.000 1.154 367 I CB 2.039 40.026 38.000 -0.023 0.000 1.315 367 I HN 0.183 nan 8.210 nan 0.000 0.448 368 V N 5.198 125.178 119.914 0.110 0.000 2.435 368 V HA 0.281 4.401 4.120 0.001 0.000 0.290 368 V C 0.040 176.186 176.094 0.086 0.000 1.030 368 V CA -0.816 61.542 62.300 0.096 0.000 0.881 368 V CB 1.785 33.666 31.823 0.096 0.000 0.983 368 V HN 0.622 nan 8.190 nan 0.000 0.445 369 N N 3.472 122.207 118.700 0.058 0.000 2.415 369 N HA 0.206 4.946 4.740 0.001 0.000 0.246 369 N C -0.644 174.883 175.510 0.028 0.000 1.078 369 N CA -0.313 52.756 53.050 0.032 0.000 0.942 369 N CB 0.769 39.239 38.487 -0.028 0.000 1.140 369 N HN 0.589 nan 8.380 nan 0.000 0.501 370 L N 3.792 125.045 121.223 0.050 0.000 2.387 370 L HA 0.158 4.499 4.340 0.001 0.000 0.267 370 L C 1.444 178.340 176.870 0.043 0.000 1.197 370 L CA 0.177 55.046 54.840 0.048 0.000 1.070 370 L CB -0.568 41.523 42.059 0.053 0.000 1.349 370 L HN 0.660 nan 8.230 nan 0.000 0.422 371 S N 0.980 116.696 115.700 0.026 0.000 2.440 371 S HA 0.067 4.537 4.470 0.001 0.000 0.240 371 S C 0.924 175.611 174.600 0.145 0.000 1.014 371 S CA 0.613 58.846 58.200 0.054 0.000 0.980 371 S CB -0.398 62.798 63.200 -0.006 0.000 0.775 371 S HN 0.708 nan 8.310 nan 0.000 0.499 372 G N 0.507 109.362 108.800 0.092 0.000 2.506 372 G HA2 0.529 4.490 3.960 0.001 0.000 0.292 372 G HA3 0.529 4.490 3.960 0.001 0.000 0.292 372 G C -1.450 173.475 174.900 0.042 0.000 1.425 372 G CA -1.177 43.967 45.100 0.073 0.000 0.788 372 G HN 0.485 nan 8.290 nan 0.000 0.490 373 R N -0.994 119.520 120.500 0.024 0.000 2.532 373 R HA 0.657 4.997 4.340 0.001 0.000 0.272 373 R C 0.826 177.147 176.300 0.036 0.000 1.032 373 R CA -0.120 55.982 56.100 0.004 0.000 1.089 373 R CB 1.555 31.845 30.300 -0.016 0.000 1.098 373 R HN 0.727 nan 8.270 nan 0.000 0.526 374 G N 0.509 109.328 108.800 0.032 0.000 3.141 374 G HA2 -0.061 3.899 3.960 0.001 0.000 0.218 374 G HA3 -0.061 3.899 3.960 0.001 0.000 0.218 374 G C 0.041 175.021 174.900 0.132 0.000 1.170 374 G CA -0.170 45.016 45.100 0.143 0.000 0.769 374 G HN 0.712 nan 8.290 nan 0.000 0.546 375 D N 1.671 122.107 120.400 0.059 0.000 2.133 375 D HA -0.183 4.457 4.640 0.001 0.000 0.195 375 D C 2.486 178.821 176.300 0.060 0.000 0.997 375 D CA 1.449 55.479 54.000 0.050 0.000 0.840 375 D CB 0.022 40.834 40.800 0.020 0.000 0.947 375 D HN 0.572 nan 8.370 nan 0.000 0.452 376 K N 0.232 120.665 120.400 0.055 0.000 2.280 376 K HA -0.107 4.214 4.320 0.001 0.000 0.202 376 K C 0.454 177.084 176.600 0.049 0.000 1.047 376 K CA 1.287 57.602 56.287 0.046 0.000 0.942 376 K CB 0.132 32.654 32.500 0.037 0.000 0.739 376 K HN 0.084 nan 8.250 nan 0.000 0.457 377 D N 0.946 121.390 120.400 0.074 0.000 2.369 377 D HA 0.096 4.737 4.640 0.001 0.000 0.211 377 D C 1.727 178.030 176.300 0.005 0.000 1.077 377 D CA 0.036 54.055 54.000 0.032 0.000 0.842 377 D CB 0.235 41.048 40.800 0.022 0.000 0.947 377 D HN 0.176 nan 8.370 nan 0.000 0.509 378 L N 0.790 122.051 121.223 0.064 0.000 2.042 378 L HA -0.194 4.146 4.340 0.001 0.000 0.210 378 L C 2.052 178.929 176.870 0.012 0.000 1.076 378 L CA 1.172 56.048 54.840 0.060 0.000 0.749 378 L CB -0.242 41.861 42.059 0.074 0.000 0.893 378 L HN -0.063 nan 8.230 nan 0.000 0.432 379 D N 0.427 120.831 120.400 0.007 0.000 2.077 379 D HA -0.198 4.443 4.640 0.001 0.000 0.193 379 D C 2.102 178.392 176.300 -0.018 0.000 0.989 379 D CA 1.943 55.943 54.000 -0.001 0.000 0.831 379 D CB -0.233 40.568 40.800 0.002 0.000 0.979 379 D HN 0.442 nan 8.370 nan 0.000 0.449 380 I N -0.361 120.191 120.570 -0.030 0.000 2.335 380 I HA -0.214 3.957 4.170 0.001 0.000 0.251 380 I C 2.076 178.148 176.117 -0.075 0.000 1.129 380 I CA 1.236 62.510 61.300 -0.043 0.000 1.402 380 I CB -0.498 37.476 38.000 -0.043 0.000 1.069 380 I HN -0.173 nan 8.210 nan 0.000 0.424 381 V N 0.369 120.205 119.914 -0.131 0.000 2.548 381 V HA -0.152 3.969 4.120 0.001 0.000 0.249 381 V C 2.452 178.516 176.094 -0.051 0.000 1.055 381 V CA 1.605 63.797 62.300 -0.180 0.000 1.065 381 V CB -0.558 31.017 31.823 -0.413 0.000 0.681 381 V HN 0.554 nan 8.190 nan 0.000 0.462 382 L N 0.304 121.515 121.223 -0.020 0.000 2.017 382 L HA -0.156 4.185 4.340 0.001 0.000 0.208 382 L C 2.376 179.252 176.870 0.010 0.000 1.073 382 L CA 2.016 56.864 54.840 0.014 0.000 0.745 382 L CB -0.675 41.394 42.059 0.015 0.000 0.894 382 L HN 0.201 nan 8.230 nan 0.000 0.432 383 K N -1.177 119.222 120.400 -0.002 0.000 2.001 383 K HA -0.105 4.216 4.320 0.001 0.000 0.208 383 K C 1.932 178.533 176.600 0.002 0.000 1.048 383 K CA 1.648 57.935 56.287 0.000 0.000 0.932 383 K CB -0.453 32.046 32.500 -0.002 0.000 0.715 383 K HN 0.232 nan 8.250 nan 0.000 0.437 384 V N 1.306 121.217 119.914 -0.005 0.000 2.287 384 V HA -0.225 3.896 4.120 0.001 0.000 0.248 384 V C 1.936 178.036 176.094 0.011 0.000 1.053 384 V CA 1.942 64.242 62.300 0.000 0.000 1.027 384 V CB -0.340 31.475 31.823 -0.013 0.000 0.646 384 V HN 0.249 nan 8.190 nan 0.000 0.447 385 S N -0.778 114.938 115.700 0.026 0.000 2.603 385 S HA 0.384 4.855 4.470 0.001 0.000 0.220 385 S C 0.614 175.226 174.600 0.020 0.000 0.967 385 S CA 0.654 58.877 58.200 0.039 0.000 0.920 385 S CB 0.250 63.522 63.200 0.121 0.000 0.773 385 S HN 0.767 nan 8.310 nan 0.000 0.529 386 G N 0.000 108.810 108.800 0.017 0.000 5.446 386 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 386 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 386 G CA 0.000 45.107 45.100 0.012 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925