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 2c6p_1_A DATA FIRST_RESID 57 DATA SEQUENCE NMKAFLDELK AENIKKFLYN FTQIPHLAGT EQNFQLAKQI QSQWKEFGLD DATA SEQUENCE SVELAHYDVL LSYPNKTHPN YISIINEDGN EIFNTSLFEP PPPGYENVSD DATA SEQUENCE IVPPFSAFSP QGMPEGDLVY VNYARTEDFF KLERDMKINC SGKIVIARYG DATA SEQUENCE KVFRGNKVKN AQLAGAKGVI LYSDPADYFA PGVKSYPDGW NLPGGGVQRG DATA SEQUENCE NILNLNGAGD PLTPGYPANE YAYRRGIAEA VGLPSIPVHP IGYYDAQKLL DATA SEQUENCE EKMGGSAPPD SSWRGSLKVP YNVGPGFXXX XXXXXVKMHI HSTNEVTRIY DATA SEQUENCE NVIGTLRGAV EPDRYVILGG HRDSWVFGGI DPQSGAAVVH EIVRSFGTLK DATA SEQUENCE KEGWRPRRTI LFASWDAEEF GLLGSTEWAE ENSRLLQERG VAYINADSSI DATA SEQUENCE EGNYTLRVDC TPLMYSLVHN LTKELKSPDE GFEGKSLYES WTKKSPSPEF DATA SEQUENCE SGMPRISKLG SGNDFEVFFQ RLGIASGRAR YTKNXXXXXX XGYPLYHSVY DATA SEQUENCE ETYELVEKFY DPMFKYHLTV AQVRGGMVFE LANSIVLPFD CRDYAVVLRK DATA SEQUENCE YADKIYSISM KHPQEMKTYS VSFDSLFSAV KNFTEIASKF SERLQDFDXX DATA SEQUENCE NPIVLRMMND QLMFLERAFI DPLGLPDRPF YRHVIYAPSS HNKYAGESFP DATA SEQUENCE GIYDALFDIE SKVDPSKAWG EVKRQIYVAA FTVQAAAETL SEVA 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 57 N HA 0.000 nan 4.740 nan 0.000 0.220 57 N C 0.000 175.325 175.510 -0.309 0.000 1.280 57 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 57 N CB 0.000 38.494 38.487 0.011 0.000 1.341 58 M N 0.770 120.089 119.600 -0.468 0.000 2.077 58 M HA -0.127 4.354 4.480 0.001 0.000 0.261 58 M C 2.287 178.313 176.300 -0.456 0.000 1.070 58 M CA 2.243 56.995 55.300 -0.913 0.000 1.125 58 M CB -0.315 31.909 32.600 -0.626 0.000 1.339 58 M HN 0.585 nan 8.290 nan 0.000 0.409 59 K N 0.522 120.760 120.400 -0.269 0.000 2.127 59 K HA -0.193 4.127 4.320 0.001 0.000 0.208 59 K C 1.743 178.211 176.600 -0.220 0.000 1.047 59 K CA 1.716 57.885 56.287 -0.198 0.000 0.927 59 K CB -1.402 31.017 32.500 -0.134 0.000 0.716 59 K HN 0.643 nan 8.250 nan 0.000 0.450 60 A N -0.013 122.672 122.820 -0.226 0.000 1.883 60 A HA -0.036 4.284 4.320 0.001 0.000 0.217 60 A C 2.116 179.540 177.584 -0.267 0.000 1.186 60 A CA 1.926 53.831 52.037 -0.221 0.000 0.624 60 A CB -0.909 17.964 19.000 -0.211 0.000 0.822 60 A HN 0.752 nan 8.150 nan 0.000 0.444 61 F N 0.625 120.303 119.950 -0.454 0.000 2.134 61 F HA -0.130 4.398 4.527 0.001 0.000 0.299 61 F C 1.831 177.397 175.800 -0.390 0.000 1.097 61 F CA 1.753 59.460 58.000 -0.489 0.000 1.264 61 F CB -0.387 38.226 39.000 -0.645 0.000 1.001 61 F HN 0.137 nan 8.300 nan 0.000 0.479 62 L N -0.037 120.792 121.223 -0.656 0.000 2.056 62 L HA -0.172 4.169 4.340 0.001 0.000 0.207 62 L C 2.054 178.654 176.870 -0.450 0.000 1.078 62 L CA 1.346 55.822 54.840 -0.606 0.000 0.749 62 L CB -0.831 41.048 42.059 -0.299 0.000 0.901 62 L HN 0.045 nan 8.230 nan 0.000 0.433 63 D N -0.291 119.908 120.400 -0.336 0.000 2.264 63 D HA -0.186 4.454 4.640 0.001 0.000 0.208 63 D C 1.992 178.131 176.300 -0.267 0.000 0.966 63 D CA 0.847 54.697 54.000 -0.250 0.000 0.864 63 D CB 0.096 40.783 40.800 -0.189 0.000 0.933 63 D HN 0.267 nan 8.370 nan 0.000 0.499 64 E N 0.097 120.093 120.200 -0.340 0.000 2.285 64 E HA -0.000 4.351 4.350 0.001 0.000 0.194 64 E C 0.297 176.702 176.600 -0.326 0.000 0.997 64 E CA 0.066 56.282 56.400 -0.307 0.000 0.845 64 E CB -0.027 29.490 29.700 -0.304 0.000 0.782 64 E HN 0.192 nan 8.360 nan 0.000 0.491 65 L N 2.476 123.452 121.223 -0.412 0.000 2.477 65 L HA 0.118 4.459 4.340 0.001 0.000 0.272 65 L C 0.027 176.768 176.870 -0.216 0.000 1.157 65 L CA 0.159 54.803 54.840 -0.328 0.000 0.889 65 L CB 0.337 42.172 42.059 -0.373 0.000 1.158 65 L HN -0.068 nan 8.230 nan 0.000 0.473 66 K N 2.960 123.257 120.400 -0.172 0.000 2.292 66 K HA 0.418 4.739 4.320 0.001 0.000 0.257 66 K C 0.599 177.128 176.600 -0.119 0.000 0.940 66 K CA -0.504 55.695 56.287 -0.147 0.000 0.811 66 K CB 1.960 34.361 32.500 -0.164 0.000 1.120 66 K HN 0.564 nan 8.250 nan 0.000 0.428 67 A N 2.928 125.696 122.820 -0.088 0.000 1.948 67 A HA -0.235 4.086 4.320 0.001 0.000 0.220 67 A C 1.576 179.062 177.584 -0.163 0.000 1.177 67 A CA 1.850 53.859 52.037 -0.046 0.000 0.636 67 A CB -0.359 18.645 19.000 0.007 0.000 0.815 67 A HN 0.799 nan 8.150 nan 0.000 0.449 68 E N 0.538 120.618 120.200 -0.200 0.000 2.150 68 E HA -0.130 4.220 4.350 0.001 0.000 0.193 68 E C 1.751 178.120 176.600 -0.385 0.000 0.985 68 E CA 1.160 57.391 56.400 -0.281 0.000 0.814 68 E CB -0.254 29.312 29.700 -0.223 0.000 0.752 68 E HN 0.583 nan 8.360 nan 0.000 0.466 69 N N 0.490 118.961 118.700 -0.382 0.000 2.142 69 N HA -0.065 4.676 4.740 0.001 0.000 0.186 69 N C 1.811 176.897 175.510 -0.706 0.000 1.023 69 N CA 0.907 53.580 53.050 -0.630 0.000 0.852 69 N CB -0.084 38.136 38.487 -0.445 0.000 0.998 69 N HN 0.226 nan 8.380 nan 0.000 0.424 70 I N 1.268 121.669 120.570 -0.282 0.000 2.179 70 I HA -0.260 3.910 4.170 0.001 0.000 0.242 70 I C 2.466 178.470 176.117 -0.188 0.000 1.088 70 I CA 1.045 62.328 61.300 -0.028 0.000 1.357 70 I CB -0.238 37.866 38.000 0.173 0.000 1.051 70 I HN 0.111 nan 8.210 nan 0.000 0.409 71 K N 1.366 121.384 120.400 -0.637 0.000 2.020 71 K HA -0.282 4.039 4.320 0.001 0.000 0.212 71 K C 2.506 178.890 176.600 -0.360 0.000 1.050 71 K CA 2.284 57.996 56.287 -0.959 0.000 0.929 71 K CB -0.145 31.674 32.500 -1.136 0.000 0.714 71 K HN -0.032 nan 8.250 nan 0.000 0.443 72 K N -0.185 119.962 120.400 -0.421 0.000 2.063 72 K HA -0.147 4.174 4.320 0.001 0.000 0.208 72 K C 2.049 178.529 176.600 -0.200 0.000 1.048 72 K CA 1.799 57.876 56.287 -0.350 0.000 0.928 72 K CB -0.635 31.564 32.500 -0.502 0.000 0.713 72 K HN 0.342 nan 8.250 nan 0.000 0.442 73 F N 0.217 120.066 119.950 -0.169 0.000 2.163 73 F HA 0.136 4.663 4.527 0.001 0.000 0.297 73 F C 2.152 177.623 175.800 -0.549 0.000 1.094 73 F CA 0.618 58.370 58.000 -0.414 0.000 1.290 73 F CB -1.224 37.602 39.000 -0.290 0.000 1.017 73 F HN 0.095 nan 8.300 nan 0.000 0.483 74 L N -0.662 120.593 121.223 0.054 0.000 2.042 74 L HA -0.260 4.080 4.340 0.001 0.000 0.210 74 L C 2.359 179.393 176.870 0.273 0.000 1.076 74 L CA 1.760 56.755 54.840 0.260 0.000 0.749 74 L CB -1.197 41.164 42.059 0.503 0.000 0.893 74 L HN 0.243 nan 8.230 nan 0.000 0.432 75 Y N 0.119 120.425 120.300 0.010 0.000 2.145 75 Y HA -0.285 4.266 4.550 0.001 0.000 0.286 75 Y C 2.632 178.474 175.900 -0.096 0.000 1.145 75 Y CA 2.172 60.093 58.100 -0.297 0.000 1.148 75 Y CB -0.476 37.614 38.460 -0.617 0.000 0.981 75 Y HN 0.410 nan 8.280 nan 0.000 0.507 76 N N -0.235 118.479 118.700 0.023 0.000 2.149 76 N HA -0.201 4.539 4.740 0.001 0.000 0.188 76 N C 1.245 176.843 175.510 0.147 0.000 1.019 76 N CA 1.490 54.553 53.050 0.021 0.000 0.857 76 N CB -0.319 38.186 38.487 0.031 0.000 0.997 76 N HN 0.340 nan 8.380 nan 0.000 0.426 77 F N 0.371 120.386 119.950 0.108 0.000 2.743 77 F HA 0.124 4.652 4.527 0.001 0.000 0.297 77 F C 2.007 177.956 175.800 0.249 0.000 1.131 77 F CA 0.691 58.748 58.000 0.095 0.000 1.426 77 F CB -0.570 38.459 39.000 0.049 0.000 1.116 77 F HN 0.062 nan 8.300 nan 0.000 0.583 78 T N -4.208 110.566 114.554 0.367 0.000 3.129 78 T HA 0.107 4.458 4.350 0.001 0.000 0.267 78 T C 1.315 176.184 174.700 0.283 0.000 1.018 78 T CA -0.064 62.258 62.100 0.369 0.000 0.903 78 T CB 0.232 69.313 68.868 0.356 0.000 1.067 78 T HN -0.060 nan 8.240 nan 0.000 0.549 79 Q N 1.406 121.301 119.800 0.158 0.000 2.354 79 Q HA 0.376 4.716 4.340 0.001 0.000 0.203 79 Q C 1.042 177.216 176.000 0.289 0.000 0.933 79 Q CA 0.445 56.291 55.803 0.071 0.000 0.901 79 Q CB 0.300 28.961 28.738 -0.130 0.000 1.007 79 Q HN 0.850 nan 8.270 nan 0.000 0.495 80 I N -3.781 116.940 120.570 0.252 0.000 3.042 80 I HA 0.592 4.763 4.170 0.001 0.000 0.310 80 I C -2.820 173.155 176.117 -0.237 0.000 1.117 80 I CA -3.053 58.314 61.300 0.112 0.000 1.003 80 I CB 2.415 40.374 38.000 -0.067 0.000 1.228 80 I HN -0.326 nan 8.210 nan 0.000 0.443 81 P HA 0.216 nan 4.420 nan 0.000 0.271 81 P C -1.217 175.776 177.300 -0.512 0.000 1.218 81 P CA 0.275 63.100 63.100 -0.459 0.000 0.780 81 P CB 0.106 31.566 31.700 -0.400 0.000 0.901 82 H N 0.702 119.747 119.070 -0.042 0.000 2.535 82 H HA 0.283 4.840 4.556 0.001 0.000 0.232 82 H C -0.310 174.998 175.328 -0.034 0.000 1.405 82 H CA -0.752 55.279 56.048 -0.028 0.000 1.224 82 H CB -0.072 29.669 29.762 -0.034 0.000 1.763 82 H HN 0.208 nan 8.280 nan 0.000 0.529 83 L N 1.877 123.136 121.223 0.059 0.000 2.490 83 L HA 0.302 4.642 4.340 0.001 0.000 0.274 83 L C 0.470 177.419 176.870 0.131 0.000 1.201 83 L CA -0.079 54.815 54.840 0.090 0.000 0.869 83 L CB 0.177 42.336 42.059 0.166 0.000 1.123 83 L HN 0.446 nan 8.230 nan 0.000 0.484 84 A N 3.924 126.830 122.820 0.143 0.000 2.546 84 A HA 0.435 4.755 4.320 0.001 0.000 0.243 84 A C 1.343 178.979 177.584 0.086 0.000 1.063 84 A CA 0.479 52.566 52.037 0.084 0.000 0.757 84 A CB -0.702 18.309 19.000 0.018 0.000 0.991 84 A HN 1.844 nan 8.150 nan 0.000 0.503 85 G N 1.531 110.388 108.800 0.095 0.000 2.199 85 G HA2 -0.170 3.790 3.960 0.001 0.000 0.254 85 G HA3 -0.170 3.790 3.960 0.001 0.000 0.254 85 G C 0.545 175.500 174.900 0.092 0.000 0.982 85 G CA 1.119 46.285 45.100 0.110 0.000 0.632 85 G HN 2.131 nan 8.290 nan 0.000 0.529 86 T N -2.476 112.133 114.554 0.092 0.000 2.944 86 T HA 0.699 5.049 4.350 0.001 0.000 0.284 86 T C 0.976 175.731 174.700 0.092 0.000 1.010 86 T CA 0.286 62.407 62.100 0.035 0.000 1.025 86 T CB 2.295 71.167 68.868 0.006 0.000 1.079 86 T HN -0.043 nan 8.240 nan 0.000 0.516 87 E N 0.501 120.738 120.200 0.062 0.000 2.110 87 E HA -0.177 4.174 4.350 0.001 0.000 0.193 87 E C 1.945 178.634 176.600 0.148 0.000 0.988 87 E CA 1.431 57.902 56.400 0.118 0.000 0.804 87 E CB -0.138 29.602 29.700 0.066 0.000 0.745 87 E HN 0.765 nan 8.360 nan 0.000 0.458 88 Q N 0.267 120.122 119.800 0.093 0.000 2.096 88 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 88 Q C 1.982 178.104 176.000 0.203 0.000 0.982 88 Q CA 1.696 57.560 55.803 0.103 0.000 0.850 88 Q CB -0.236 28.509 28.738 0.011 0.000 0.901 88 Q HN 0.119 nan 8.270 nan 0.000 0.422 89 N N -0.446 118.370 118.700 0.192 0.000 2.270 89 N HA -0.116 4.624 4.740 0.001 0.000 0.181 89 N C 1.143 176.716 175.510 0.104 0.000 1.016 89 N CA 0.505 53.655 53.050 0.167 0.000 0.870 89 N CB -0.119 38.461 38.487 0.154 0.000 0.979 89 N HN 0.199 nan 8.380 nan 0.000 0.431 90 F N 1.512 121.442 119.950 -0.033 0.000 2.134 90 F HA -0.115 4.412 4.527 0.001 0.000 0.299 90 F C 2.109 177.785 175.800 -0.207 0.000 1.097 90 F CA 1.594 59.474 58.000 -0.200 0.000 1.264 90 F CB -0.421 38.424 39.000 -0.257 0.000 1.001 90 F HN 0.129 nan 8.300 nan 0.000 0.479 91 Q N -0.424 119.229 119.800 -0.245 0.000 2.123 91 Q HA -0.141 4.200 4.340 0.001 0.000 0.199 91 Q C 2.137 177.957 176.000 -0.301 0.000 0.966 91 Q CA 1.391 56.994 55.803 -0.335 0.000 0.845 91 Q CB -0.384 28.287 28.738 -0.112 0.000 0.907 91 Q HN 0.452 nan 8.270 nan 0.000 0.439 92 L N 0.547 121.641 121.223 -0.216 0.000 2.083 92 L HA -0.102 4.238 4.340 0.001 0.000 0.209 92 L C 2.076 178.702 176.870 -0.407 0.000 1.083 92 L CA 1.940 56.592 54.840 -0.314 0.000 0.752 92 L CB -0.740 41.030 42.059 -0.482 0.000 0.899 92 L HN 0.128 nan 8.230 nan 0.000 0.433 93 A N -0.595 121.994 122.820 -0.385 0.000 1.877 93 A HA -0.238 4.082 4.320 0.001 0.000 0.216 93 A C 2.352 179.668 177.584 -0.448 0.000 1.186 93 A CA 1.939 53.738 52.037 -0.397 0.000 0.620 93 A CB -0.528 18.317 19.000 -0.259 0.000 0.822 93 A HN 0.483 nan 8.150 nan 0.000 0.443 94 K N -0.754 119.320 120.400 -0.544 0.000 2.103 94 K HA -0.227 4.094 4.320 0.001 0.000 0.207 94 K C 2.420 178.809 176.600 -0.352 0.000 1.048 94 K CA 1.707 57.702 56.287 -0.486 0.000 0.930 94 K CB -0.146 31.981 32.500 -0.621 0.000 0.716 94 K HN 0.715 nan 8.250 nan 0.000 0.444 95 Q N 0.838 120.439 119.800 -0.331 0.000 2.046 95 Q HA -0.147 4.193 4.340 0.001 0.000 0.200 95 Q C 2.073 177.894 176.000 -0.299 0.000 0.975 95 Q CA 1.098 56.753 55.803 -0.247 0.000 0.836 95 Q CB 0.116 28.748 28.738 -0.176 0.000 0.896 95 Q HN 0.228 nan 8.270 nan 0.000 0.428 96 I N 1.178 121.488 120.570 -0.433 0.000 2.194 96 I HA -0.323 3.848 4.170 0.001 0.000 0.246 96 I C 2.575 178.287 176.117 -0.675 0.000 1.093 96 I CA 1.695 62.602 61.300 -0.655 0.000 1.355 96 I CB -1.145 36.284 38.000 -0.950 0.000 1.046 96 I HN 0.510 nan 8.210 nan 0.000 0.413 97 Q N 1.075 120.588 119.800 -0.478 0.000 2.020 97 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 97 Q C 2.400 178.292 176.000 -0.181 0.000 0.982 97 Q CA 2.587 58.218 55.803 -0.287 0.000 0.838 97 Q CB 0.114 28.722 28.738 -0.217 0.000 0.899 97 Q HN 0.429 nan 8.270 nan 0.000 0.423 98 S N 1.021 116.606 115.700 -0.192 0.000 2.368 98 S HA -0.263 4.208 4.470 0.001 0.000 0.226 98 S C 1.908 176.386 174.600 -0.204 0.000 1.044 98 S CA 1.813 59.922 58.200 -0.153 0.000 1.062 98 S CB -0.470 62.648 63.200 -0.138 0.000 0.931 98 S HN 0.461 nan 8.310 nan 0.000 0.440 99 Q N -0.646 118.966 119.800 -0.314 0.000 2.084 99 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 99 Q C 2.048 177.562 176.000 -0.810 0.000 0.978 99 Q CA 1.324 56.758 55.803 -0.615 0.000 0.844 99 Q CB -0.212 28.130 28.738 -0.659 0.000 0.898 99 Q HN 0.593 nan 8.270 nan 0.000 0.426 100 W N 1.172 122.101 121.300 -0.618 0.000 2.358 100 W HA -0.146 4.514 4.660 0.001 0.000 0.303 100 W C 2.487 178.882 176.519 -0.207 0.000 1.208 100 W CA 0.680 57.785 57.345 -0.399 0.000 1.274 100 W CB -0.888 28.454 29.460 -0.195 0.000 1.138 100 W HN -0.071 nan 8.180 nan 0.000 0.515 101 K N 0.262 120.694 120.400 0.053 0.000 2.001 101 K HA -0.214 4.107 4.320 0.001 0.000 0.214 101 K C 1.919 178.539 176.600 0.033 0.000 1.050 101 K CA 2.084 58.393 56.287 0.036 0.000 0.934 101 K CB -1.223 31.283 32.500 0.010 0.000 0.718 101 K HN 0.280 nan 8.250 nan 0.000 0.443 102 E N -0.300 119.886 120.200 -0.022 0.000 2.114 102 E HA -0.155 4.195 4.350 0.001 0.000 0.199 102 E C 1.980 178.705 176.600 0.208 0.000 1.008 102 E CA 1.576 58.005 56.400 0.050 0.000 0.810 102 E CB -0.572 29.135 29.700 0.012 0.000 0.739 102 E HN 0.535 nan 8.360 nan 0.000 0.456 103 F N -0.692 119.271 119.950 0.022 0.000 2.451 103 F HA 0.212 4.739 4.527 0.001 0.000 0.299 103 F C 2.278 178.082 175.800 0.006 0.000 1.101 103 F CA 1.023 59.019 58.000 -0.007 0.000 1.436 103 F CB -0.609 38.352 39.000 -0.066 0.000 1.074 103 F HN 0.386 nan 8.300 nan 0.000 0.553 104 G N -0.630 108.288 108.800 0.197 0.000 2.260 104 G HA2 -0.181 3.780 3.960 0.001 0.000 0.179 104 G HA3 -0.181 3.780 3.960 0.001 0.000 0.179 104 G C 0.259 175.222 174.900 0.105 0.000 1.002 104 G CA -0.319 44.862 45.100 0.134 0.000 0.677 104 G HN 0.154 nan 8.290 nan 0.000 0.486 105 L N 1.486 122.761 121.223 0.088 0.000 2.514 105 L HA 0.150 4.490 4.340 0.001 0.000 0.280 105 L C 1.423 178.335 176.870 0.070 0.000 1.223 105 L CA -0.025 54.857 54.840 0.070 0.000 0.864 105 L CB 0.335 42.423 42.059 0.048 0.000 1.118 105 L HN 0.080 nan 8.230 nan 0.000 0.494 106 D N 0.656 121.091 120.400 0.060 0.000 2.117 106 D HA -0.073 4.567 4.640 0.001 0.000 0.197 106 D C 0.605 176.936 176.300 0.052 0.000 0.987 106 D CA 1.384 55.413 54.000 0.048 0.000 0.829 106 D CB 0.235 41.054 40.800 0.032 0.000 0.961 106 D HN 0.644 nan 8.370 nan 0.000 0.460 107 S N -0.874 114.863 115.700 0.061 0.000 2.588 107 S HA 0.626 5.097 4.470 0.001 0.000 0.275 107 S C -0.762 173.896 174.600 0.097 0.000 1.130 107 S CA -0.949 57.292 58.200 0.069 0.000 0.855 107 S CB 2.978 66.214 63.200 0.061 0.000 1.116 107 S HN -0.122 nan 8.310 nan 0.000 0.472 108 V N 1.594 121.569 119.914 0.100 0.000 2.532 108 V HA 0.540 4.660 4.120 0.001 0.000 0.294 108 V C -1.131 175.015 176.094 0.087 0.000 1.036 108 V CA -0.533 61.848 62.300 0.136 0.000 0.876 108 V CB 1.373 33.301 31.823 0.176 0.000 1.012 108 V HN 0.905 nan 8.190 nan 0.000 0.432 109 E N 3.639 123.892 120.200 0.088 0.000 2.263 109 E HA 0.625 4.976 4.350 0.001 0.000 0.264 109 E C -0.802 175.835 176.600 0.063 0.000 0.923 109 E CA -0.826 55.616 56.400 0.069 0.000 0.802 109 E CB 2.976 32.724 29.700 0.081 0.000 1.228 109 E HN 0.479 nan 8.360 nan 0.000 0.417 110 L N 1.116 122.380 121.223 0.068 0.000 2.305 110 L HA 0.471 4.812 4.340 0.001 0.000 0.281 110 L C 0.101 177.012 176.870 0.069 0.000 1.085 110 L CA -0.693 54.216 54.840 0.116 0.000 0.813 110 L CB 0.937 43.124 42.059 0.215 0.000 1.157 110 L HN 0.451 nan 8.230 nan 0.000 0.436 111 A N 3.870 126.750 122.820 0.101 0.000 2.291 111 A HA 0.540 4.860 4.320 0.001 0.000 0.311 111 A C -0.519 177.017 177.584 -0.079 0.000 1.224 111 A CA -0.600 51.434 52.037 -0.005 0.000 0.821 111 A CB 0.369 19.564 19.000 0.325 0.000 1.172 111 A HN 0.888 nan 8.150 nan 0.000 0.494 112 H N 0.281 119.164 119.070 -0.312 0.000 2.651 112 H HA 0.832 5.388 4.556 0.001 0.000 0.353 112 H C -1.788 172.992 175.328 -0.914 0.000 1.178 112 H CA -0.797 54.964 56.048 -0.478 0.000 1.224 112 H CB 1.500 30.979 29.762 -0.472 0.000 1.702 112 H HN 0.535 nan 8.280 nan 0.000 0.550 113 Y N -0.701 119.628 120.300 0.048 0.000 2.581 113 Y HA 0.178 4.728 4.550 0.001 0.000 0.337 113 Y C -0.935 174.900 175.900 -0.107 0.000 1.108 113 Y CA -1.121 56.977 58.100 -0.003 0.000 1.033 113 Y CB 2.160 40.620 38.460 0.000 0.000 1.318 113 Y HN 0.621 nan 8.280 nan 0.000 0.459 114 D N 2.880 123.302 120.400 0.037 0.000 2.427 114 D HA 0.451 5.092 4.640 0.001 0.000 0.226 114 D C -0.711 175.575 176.300 -0.024 0.000 1.076 114 D CA -0.055 53.917 54.000 -0.047 0.000 0.849 114 D CB 1.682 42.432 40.800 -0.084 0.000 1.052 114 D HN 0.390 nan 8.370 nan 0.000 0.515 115 V N -0.315 119.578 119.914 -0.034 0.000 2.960 115 V HA 0.516 4.637 4.120 0.001 0.000 0.315 115 V C -0.236 175.835 176.094 -0.037 0.000 1.087 115 V CA -1.220 61.059 62.300 -0.035 0.000 0.982 115 V CB 2.136 33.940 31.823 -0.033 0.000 1.039 115 V HN 0.237 nan 8.190 nan 0.000 0.437 116 L N 3.055 124.278 121.223 -0.000 0.000 2.385 116 L HA 0.448 4.789 4.340 0.001 0.000 0.281 116 L C -0.248 176.702 176.870 0.134 0.000 1.106 116 L CA 0.735 55.617 54.840 0.069 0.000 0.856 116 L CB -0.659 41.467 42.059 0.113 0.000 1.186 116 L HN 0.678 nan 8.230 nan 0.000 0.453 117 L N 3.047 124.209 121.223 -0.103 0.000 2.491 117 L HA 0.704 5.045 4.340 0.001 0.000 0.264 117 L C 0.028 176.553 176.870 -0.574 0.000 1.053 117 L CA -0.854 53.690 54.840 -0.493 0.000 0.858 117 L CB 1.705 43.218 42.059 -0.911 0.000 1.519 117 L HN 0.581 nan 8.230 nan 0.000 0.508 118 S N -0.874 114.293 115.700 -0.887 0.000 2.566 118 S HA 0.660 5.131 4.470 0.001 0.000 0.273 118 S C -1.821 172.486 174.600 -0.488 0.000 1.157 118 S CA -0.409 57.457 58.200 -0.558 0.000 0.938 118 S CB 0.840 63.665 63.200 -0.626 0.000 1.087 118 S HN 0.360 nan 8.310 nan 0.000 0.474 119 Y N 2.579 122.849 120.300 -0.050 0.000 2.524 119 Y HA 0.575 5.126 4.550 0.001 0.000 0.347 119 Y C -2.408 173.259 175.900 -0.389 0.000 1.005 119 Y CA -2.088 55.856 58.100 -0.260 0.000 1.025 119 Y CB 1.690 40.052 38.460 -0.163 0.000 1.275 119 Y HN 0.449 nan 8.280 nan 0.000 0.460 120 P HA 0.008 nan 4.420 nan 0.000 0.275 120 P C -0.398 176.823 177.300 -0.132 0.000 1.228 120 P CA -0.227 62.690 63.100 -0.306 0.000 0.786 120 P CB 0.742 32.201 31.700 -0.401 0.000 0.927 121 N N 2.331 120.988 118.700 -0.072 0.000 2.440 121 N HA -0.052 4.689 4.740 0.001 0.000 0.265 121 N C 1.049 176.525 175.510 -0.057 0.000 1.239 121 N CA 0.359 53.377 53.050 -0.054 0.000 0.909 121 N CB 0.194 38.654 38.487 -0.045 0.000 1.066 121 N HN 0.325 nan 8.380 nan 0.000 0.474 122 K N 1.389 121.751 120.400 -0.064 0.000 2.442 122 K HA -0.077 4.244 4.320 0.001 0.000 0.198 122 K C 1.052 177.632 176.600 -0.034 0.000 1.042 122 K CA 1.304 57.557 56.287 -0.056 0.000 0.958 122 K CB 0.262 32.721 32.500 -0.068 0.000 0.766 122 K HN 0.739 nan 8.250 nan 0.000 0.474 123 T N -5.143 109.391 114.554 -0.035 0.000 2.975 123 T HA -0.028 4.322 4.350 0.001 0.000 0.261 123 T C 0.227 174.911 174.700 -0.026 0.000 0.984 123 T CA -0.268 61.817 62.100 -0.026 0.000 0.911 123 T CB 0.084 68.933 68.868 -0.032 0.000 1.127 123 T HN 0.054 nan 8.240 nan 0.000 0.514 124 H N 2.571 121.614 119.070 -0.044 0.000 2.328 124 H HA 0.543 5.099 4.556 0.001 0.000 0.230 124 H C -2.786 172.561 175.328 0.031 0.000 1.481 124 H CA -2.394 53.615 56.048 -0.065 0.000 1.306 124 H CB -0.014 29.607 29.762 -0.235 0.000 1.531 124 H HN 0.402 nan 8.280 nan 0.000 0.533 125 P HA -0.051 nan 4.420 nan 0.000 0.269 125 P C -0.217 177.195 177.300 0.187 0.000 1.200 125 P CA 0.298 63.479 63.100 0.134 0.000 0.779 125 P CB 0.668 32.467 31.700 0.166 0.000 0.841 126 N N 1.247 119.995 118.700 0.081 0.000 2.498 126 N HA 0.383 5.124 4.740 0.001 0.000 0.287 126 N C -0.311 175.281 175.510 0.136 0.000 1.097 126 N CA 0.043 53.038 53.050 -0.091 0.000 0.973 126 N CB 0.740 38.979 38.487 -0.413 0.000 1.153 126 N HN 0.508 nan 8.380 nan 0.000 0.472 127 Y N -2.767 117.572 120.300 0.065 0.000 2.662 127 Y HA 0.656 5.207 4.550 0.001 0.000 0.334 127 Y C -0.832 175.168 175.900 0.166 0.000 1.185 127 Y CA -1.351 56.872 58.100 0.205 0.000 1.074 127 Y CB 0.048 38.588 38.460 0.133 0.000 1.330 127 Y HN 0.353 nan 8.280 nan 0.000 0.458 128 I N 0.430 121.234 120.570 0.391 0.000 2.676 128 I HA 0.888 5.059 4.170 0.001 0.000 0.309 128 I C -0.140 176.174 176.117 0.327 0.000 0.990 128 I CA -0.701 60.753 61.300 0.256 0.000 1.168 128 I CB 1.396 39.496 38.000 0.165 0.000 1.343 128 I HN 0.739 nan 8.210 nan 0.000 0.482 129 S N 1.127 116.967 115.700 0.233 0.000 2.540 129 S HA 0.776 5.246 4.470 0.001 0.000 0.275 129 S C -0.753 173.935 174.600 0.146 0.000 1.123 129 S CA -0.274 58.052 58.200 0.210 0.000 0.907 129 S CB 1.601 64.961 63.200 0.266 0.000 1.081 129 S HN 0.878 nan 8.310 nan 0.000 0.476 130 I N 3.546 124.191 120.570 0.124 0.000 2.396 130 I HA 0.594 4.765 4.170 0.001 0.000 0.292 130 I C -0.134 176.053 176.117 0.117 0.000 0.999 130 I CA -0.768 60.613 61.300 0.136 0.000 1.310 130 I CB 0.254 38.326 38.000 0.120 0.000 1.404 130 I HN 0.640 nan 8.210 nan 0.000 0.496 131 I N 2.357 123.003 120.570 0.127 0.000 2.545 131 I HA 0.683 4.854 4.170 0.001 0.000 0.292 131 I C -0.170 176.007 176.117 0.101 0.000 1.040 131 I CA -0.715 60.644 61.300 0.097 0.000 1.068 131 I CB 1.525 39.572 38.000 0.079 0.000 1.251 131 I HN 0.631 nan 8.210 nan 0.000 0.424 132 N N 3.114 121.860 118.700 0.076 0.000 2.374 132 N HA 0.403 5.144 4.740 0.001 0.000 0.284 132 N C 1.109 176.653 175.510 0.057 0.000 1.280 132 N CA 0.176 53.267 53.050 0.069 0.000 0.963 132 N CB -0.188 38.328 38.487 0.048 0.000 1.141 132 N HN 0.762 nan 8.380 nan 0.000 0.565 133 E N -1.650 118.579 120.200 0.048 0.000 2.118 133 E HA -0.140 4.210 4.350 0.001 0.000 0.195 133 E C 1.581 178.200 176.600 0.031 0.000 0.992 133 E CA 2.106 58.528 56.400 0.037 0.000 0.804 133 E CB -1.954 nan 29.700 nan 0.000 0.741 133 E HN 0.847 nan 8.360 nan 0.000 0.458 134 D N -1.043 119.375 120.400 0.030 0.000 2.325 134 D HA 0.403 5.044 4.640 0.001 0.000 0.225 134 D C 1.462 177.779 176.300 0.030 0.000 1.096 134 D CA 0.849 54.865 54.000 0.026 0.000 0.844 134 D CB -0.681 nan 40.800 nan 0.000 0.925 134 D HN 1.263 nan 8.370 nan 0.000 0.513 135 G N -1.484 107.337 108.800 0.035 0.000 2.246 135 G HA2 0.170 4.131 3.960 0.001 0.000 0.273 135 G HA3 0.170 4.131 3.960 0.001 0.000 0.273 135 G C 0.208 175.134 174.900 0.044 0.000 1.055 135 G CA 0.755 45.879 45.100 0.040 0.000 0.851 135 G HN 1.311 nan 8.290 nan 0.000 0.500 136 N N -0.135 118.592 118.700 0.044 0.000 2.466 136 N HA 0.685 5.426 4.740 0.001 0.000 0.294 136 N C -0.009 175.532 175.510 0.052 0.000 1.129 136 N CA -0.286 52.790 53.050 0.043 0.000 0.931 136 N CB 0.845 39.351 38.487 0.031 0.000 1.193 136 N HN 0.441 nan 8.380 nan 0.000 0.500 137 E N 1.395 121.627 120.200 0.053 0.000 1.986 137 E HA 0.203 4.553 4.350 0.001 0.000 0.264 137 E C 0.592 177.213 176.600 0.034 0.000 1.023 137 E CA -0.326 56.111 56.400 0.062 0.000 0.834 137 E CB 0.184 29.934 29.700 0.083 0.000 1.111 137 E HN 0.587 nan 8.360 nan 0.000 0.417 138 I N 0.775 121.365 120.570 0.034 0.000 2.086 138 I HA -0.142 4.029 4.170 0.001 0.000 0.233 138 I C 1.262 177.381 176.117 0.003 0.000 1.060 138 I CA 0.725 62.033 61.300 0.014 0.000 1.326 138 I CB -0.401 37.605 38.000 0.011 0.000 1.067 138 I HN 0.383 nan 8.210 nan 0.000 0.398 139 F N 2.186 122.145 119.950 0.014 0.000 2.404 139 F HA 0.541 5.068 4.527 0.001 0.000 0.345 139 F C 0.102 175.912 175.800 0.017 0.000 1.110 139 F CA -1.357 56.647 58.000 0.007 0.000 1.130 139 F CB 0.433 39.438 39.000 0.010 0.000 1.129 139 F HN 0.329 nan 8.300 nan 0.000 0.500 140 N N 2.296 120.983 118.700 -0.021 0.000 2.372 140 N HA 0.305 5.045 4.740 0.001 0.000 0.285 140 N C -0.185 175.318 175.510 -0.011 0.000 1.008 140 N CA -0.289 52.727 53.050 -0.057 0.000 0.880 140 N CB 1.909 40.272 38.487 -0.207 0.000 1.239 140 N HN 0.802 nan 8.380 nan 0.000 0.484 141 T N -0.799 113.790 114.554 0.058 0.000 2.900 141 T HA 0.262 4.612 4.350 0.001 0.000 0.307 141 T C 0.590 175.324 174.700 0.057 0.000 1.065 141 T CA -0.556 61.584 62.100 0.065 0.000 1.105 141 T CB 0.332 69.252 68.868 0.088 0.000 0.979 141 T HN 0.244 nan 8.240 nan 0.000 0.544 142 S N 1.312 117.042 115.700 0.050 0.000 2.563 142 S HA 0.091 4.561 4.470 0.001 0.000 0.284 142 S C 1.404 176.057 174.600 0.088 0.000 1.331 142 S CA -0.676 57.556 58.200 0.053 0.000 1.047 142 S CB 0.094 63.327 63.200 0.054 0.000 0.859 142 S HN 0.615 nan 8.310 nan 0.000 0.514 143 L N 1.333 122.604 121.223 0.080 0.000 2.354 143 L HA 0.160 4.501 4.340 0.001 0.000 0.212 143 L C 0.704 177.633 176.870 0.099 0.000 1.091 143 L CA 0.453 55.360 54.840 0.111 0.000 0.828 143 L CB -0.117 41.991 42.059 0.080 0.000 0.973 143 L HN 0.744 nan 8.230 nan 0.000 0.461 144 F N -2.272 117.722 119.950 0.073 0.000 2.675 144 F HA 0.630 5.157 4.527 0.001 0.000 0.324 144 F C -0.479 175.351 175.800 0.051 0.000 1.106 144 F CA -1.893 56.142 58.000 0.059 0.000 0.970 144 F CB 0.887 39.920 39.000 0.054 0.000 1.385 144 F HN -0.122 nan 8.300 nan 0.000 0.489 145 E N 1.202 121.418 120.200 0.027 0.000 2.277 145 E HA 0.433 4.783 4.350 0.001 0.000 0.274 145 E C -2.877 173.771 176.600 0.079 0.000 1.022 145 E CA -1.948 54.471 56.400 0.033 0.000 0.853 145 E CB 1.009 30.660 29.700 -0.082 0.000 1.086 145 E HN 0.435 nan 8.360 nan 0.000 0.397 146 P HA 0.044 nan 4.420 nan 0.000 0.265 146 P C -2.376 175.084 177.300 0.266 0.000 1.222 146 P CA -0.909 62.319 63.100 0.213 0.000 0.767 146 P CB -0.327 31.520 31.700 0.246 0.000 0.801 147 P HA 0.106 nan 4.420 nan 0.000 0.268 147 P C -2.412 175.106 177.300 0.364 0.000 1.208 147 P CA -1.119 62.117 63.100 0.226 0.000 0.777 147 P CB -0.522 31.312 31.700 0.223 0.000 0.875 148 P HA 0.274 nan 4.420 nan 0.000 0.274 148 P C -2.534 175.033 177.300 0.444 0.000 1.246 148 P CA -2.066 61.351 63.100 0.528 0.000 0.795 148 P CB -1.270 30.796 31.700 0.611 0.000 1.006 149 P HA 0.037 nan 4.420 nan 0.000 0.260 149 P C 1.024 178.477 177.300 0.255 0.000 1.172 149 P CA 1.438 64.684 63.100 0.243 0.000 0.760 149 P CB -0.443 31.354 31.700 0.160 0.000 0.773 150 G N 2.160 111.044 108.800 0.141 0.000 2.175 150 G HA2 -0.299 3.662 3.960 0.001 0.000 0.244 150 G HA3 -0.299 3.662 3.960 0.001 0.000 0.244 150 G C 0.277 175.081 174.900 -0.161 0.000 0.982 150 G CA -0.262 44.821 45.100 -0.029 0.000 0.641 150 G HN 0.517 nan 8.290 nan 0.000 0.527 151 Y N 0.246 120.598 120.300 0.088 0.000 2.660 151 Y HA 0.487 5.038 4.550 0.001 0.000 0.254 151 Y C 2.193 178.173 175.900 0.134 0.000 1.176 151 Y CA 1.174 59.334 58.100 0.100 0.000 1.195 151 Y CB 0.166 38.685 38.460 0.099 0.000 1.190 151 Y HN 0.367 nan 8.280 nan 0.000 0.535 152 E N 0.483 120.810 120.200 0.212 0.000 2.204 152 E HA -0.217 4.133 4.350 0.001 0.000 0.195 152 E C 1.267 177.949 176.600 0.136 0.000 0.990 152 E CA 1.614 58.113 56.400 0.166 0.000 0.821 152 E CB -0.473 nan 29.700 nan 0.000 0.750 152 E HN 0.425 nan 8.360 nan 0.000 0.477 153 N N -0.977 117.794 118.700 0.119 0.000 2.327 153 N HA 0.276 5.016 4.740 0.001 0.000 0.231 153 N C 0.107 175.692 175.510 0.124 0.000 1.130 153 N CA 0.550 53.658 53.050 0.097 0.000 0.845 153 N CB 0.530 39.054 38.487 0.062 0.000 1.073 153 N HN 0.471 nan 8.380 nan 0.000 0.496 154 V N 0.248 120.280 119.914 0.197 0.000 2.434 154 V HA 0.401 4.522 4.120 0.001 0.000 0.281 154 V C 0.980 177.150 176.094 0.126 0.000 1.005 154 V CA 0.227 62.670 62.300 0.238 0.000 1.089 154 V CB -0.831 nan 31.823 nan 0.000 0.978 154 V HN 0.383 nan 8.190 nan 0.000 0.474 155 S N 4.507 120.258 115.700 0.085 0.000 2.528 155 S HA 0.451 4.921 4.470 0.001 0.000 0.277 155 S C 0.698 175.297 174.600 -0.001 0.000 1.297 155 S CA 0.316 58.538 58.200 0.035 0.000 1.052 155 S CB -0.057 nan 63.200 nan 0.000 0.917 155 S HN 1.135 nan 8.310 nan 0.000 0.492 156 D N 0.656 121.046 120.400 -0.016 0.000 2.873 156 D HA -0.127 4.514 4.640 0.001 0.000 0.228 156 D C -0.640 175.619 176.300 -0.069 0.000 1.122 156 D CA 0.448 54.420 54.000 -0.046 0.000 0.758 156 D CB -1.345 39.420 40.800 -0.059 0.000 1.094 156 D HN 0.681 nan 8.370 nan 0.000 0.434 157 I N 1.308 121.843 120.570 -0.058 0.000 2.421 157 I HA 0.053 4.224 4.170 0.001 0.000 0.291 157 I C 1.124 177.224 176.117 -0.028 0.000 1.089 157 I CA -0.161 61.089 61.300 -0.084 0.000 1.354 157 I CB 1.125 39.088 38.000 -0.061 0.000 1.413 157 I HN -0.114 nan 8.210 nan 0.000 0.513 158 V N 10.475 130.392 119.914 0.005 0.000 2.585 158 V HA 0.131 4.252 4.120 0.001 0.000 0.296 158 V C -1.551 174.586 176.094 0.072 0.000 1.035 158 V CA -1.182 61.151 62.300 0.055 0.000 1.084 158 V CB 0.868 32.797 31.823 0.176 0.000 0.953 158 V HN 0.584 nan 8.190 nan 0.000 0.483 159 P HA 0.234 nan 4.420 nan 0.000 0.272 159 P C -2.754 174.648 177.300 0.170 0.000 1.230 159 P CA -1.534 61.616 63.100 0.083 0.000 0.788 159 P CB -0.287 31.458 31.700 0.076 0.000 0.949 160 P HA 0.028 nan 4.420 nan 0.000 0.263 160 P C -0.611 176.904 177.300 0.358 0.000 1.175 160 P CA 1.000 64.175 63.100 0.125 0.000 0.761 160 P CB -0.226 31.503 31.700 0.047 0.000 0.794 161 F N -1.053 118.861 119.950 -0.060 0.000 2.770 161 F HA 0.526 5.054 4.527 0.001 0.000 0.313 161 F C -1.314 174.413 175.800 -0.121 0.000 1.154 161 F CA -0.985 57.016 58.000 0.001 0.000 0.923 161 F CB 0.797 39.769 39.000 -0.048 0.000 1.301 161 F HN -0.045 nan 8.300 nan 0.000 0.449 162 S N 2.141 117.773 115.700 -0.113 0.000 2.434 162 S HA 0.670 5.141 4.470 0.001 0.000 0.318 162 S C 0.008 174.462 174.600 -0.244 0.000 1.062 162 S CA -0.349 57.700 58.200 -0.253 0.000 1.116 162 S CB 0.767 63.947 63.200 -0.034 0.000 0.977 162 S HN 0.921 nan 8.310 nan 0.000 0.480 163 A N 2.524 124.995 122.820 -0.582 0.000 2.548 163 A HA 0.502 4.823 4.320 0.001 0.000 0.247 163 A C 0.326 177.952 177.584 0.070 0.000 1.067 163 A CA 0.237 52.109 52.037 -0.274 0.000 0.757 163 A CB -0.838 17.972 19.000 -0.316 0.000 0.996 163 A HN 0.954 nan 8.150 nan 0.000 0.504 164 F N 0.242 120.296 119.950 0.174 0.000 2.439 164 F HA -0.184 4.344 4.527 0.001 0.000 0.353 164 F C 1.137 176.983 175.800 0.077 0.000 0.600 164 F CA 0.905 58.976 58.000 0.119 0.000 1.636 164 F CB -1.962 37.099 39.000 0.103 0.000 2.155 164 F HN 0.685 nan 8.300 nan 0.000 0.283 165 S N 2.937 118.750 115.700 0.188 0.000 2.549 165 S HA 0.378 4.848 4.470 0.001 0.000 0.286 165 S C -1.515 173.143 174.600 0.097 0.000 1.314 165 S CA -0.905 57.364 58.200 0.114 0.000 1.062 165 S CB 0.725 63.966 63.200 0.068 0.000 0.865 165 S HN 0.076 nan 8.310 nan 0.000 0.498 166 P HA 0.114 nan 4.420 nan 0.000 0.272 166 P C -0.831 176.483 177.300 0.024 0.000 1.230 166 P CA -0.320 62.812 63.100 0.053 0.000 0.788 166 P CB 0.272 31.996 31.700 0.040 0.000 0.949 167 Q N 0.154 119.969 119.800 0.025 0.000 2.332 167 Q HA 0.543 4.884 4.340 0.001 0.000 0.263 167 Q C 0.541 176.531 176.000 -0.015 0.000 0.979 167 Q CA -0.056 55.752 55.803 0.009 0.000 0.885 167 Q CB 0.370 29.145 28.738 0.062 0.000 1.218 167 Q HN 0.678 nan 8.270 nan 0.000 0.405 168 G N 0.840 109.596 108.800 -0.074 0.000 2.548 168 G HA2 0.523 4.483 3.960 0.001 0.000 0.301 168 G HA3 0.523 4.483 3.960 0.001 0.000 0.301 168 G C -1.027 173.792 174.900 -0.135 0.000 1.349 168 G CA -0.800 44.259 45.100 -0.069 0.000 0.792 168 G HN 0.542 nan 8.290 nan 0.000 0.481 169 M N 1.557 121.106 119.600 -0.085 0.000 3.637 169 M HA 0.246 4.727 4.480 0.001 0.000 0.452 169 M C -2.551 173.717 176.300 -0.053 0.000 1.718 169 M CA -0.874 54.368 55.300 -0.096 0.000 0.690 169 M CB 1.678 34.245 32.600 -0.056 0.000 1.448 169 M HN 0.310 nan 8.290 nan 0.000 0.524 170 P HA 0.063 nan 4.420 nan 0.000 0.267 170 P C -0.962 176.329 177.300 -0.016 0.000 1.205 170 P CA 0.550 63.637 63.100 -0.022 0.000 0.765 170 P CB 0.610 32.300 31.700 -0.017 0.000 0.828 171 E N 0.949 121.145 120.200 -0.008 0.000 2.227 171 E HA 0.712 5.063 4.350 0.001 0.000 0.268 171 E C 0.436 177.029 176.600 -0.011 0.000 0.990 171 E CA -0.865 55.532 56.400 -0.004 0.000 0.856 171 E CB 1.490 31.192 29.700 0.003 0.000 1.159 171 E HN 0.710 nan 8.360 nan 0.000 0.401 172 G N -0.208 108.578 108.800 -0.023 0.000 2.345 172 G HA2 0.377 4.337 3.960 0.001 0.000 0.285 172 G HA3 0.377 4.337 3.960 0.001 0.000 0.285 172 G C -1.880 172.969 174.900 -0.085 0.000 1.297 172 G CA -0.325 44.751 45.100 -0.041 0.000 0.875 172 G HN 0.648 nan 8.290 nan 0.000 0.506 173 D N -1.494 118.843 120.400 -0.105 0.000 2.362 173 D HA 0.921 5.561 4.640 0.001 0.000 0.247 173 D C 0.889 177.099 176.300 -0.150 0.000 1.050 173 D CA 0.203 54.082 54.000 -0.200 0.000 0.839 173 D CB 1.237 nan 40.800 nan 0.000 1.283 173 D HN 2.037 nan 8.370 nan 0.000 0.477 174 L N 0.274 121.377 121.223 -0.200 0.000 2.503 174 L HA 0.584 4.925 4.340 0.001 0.000 0.287 174 L C 0.569 177.441 176.870 0.004 0.000 1.252 174 L CA -0.085 54.721 54.840 -0.058 0.000 0.835 174 L CB -0.122 nan 42.059 nan 0.000 1.099 174 L HN 0.925 nan 8.230 nan 0.000 0.516 175 V N 1.501 121.460 119.914 0.075 0.000 2.653 175 V HA 0.284 4.405 4.120 0.001 0.000 0.298 175 V C -0.827 175.372 176.094 0.175 0.000 1.097 175 V CA -0.706 61.663 62.300 0.116 0.000 0.908 175 V CB 1.033 32.909 31.823 0.089 0.000 1.024 175 V HN 0.979 nan 8.190 nan 0.000 0.435 176 Y N 5.702 126.059 120.300 0.095 0.000 2.404 176 Y HA 0.513 5.063 4.550 0.001 0.000 0.344 176 Y C 0.788 176.732 175.900 0.073 0.000 0.995 176 Y CA -0.477 57.683 58.100 0.100 0.000 1.201 176 Y CB 1.743 40.298 38.460 0.158 0.000 1.151 176 Y HN 0.537 nan 8.280 nan 0.000 0.517 177 V N 3.105 122.709 119.914 -0.517 0.000 3.177 177 V HA 0.283 4.403 4.120 0.001 0.000 0.342 177 V C 0.694 176.061 176.094 -1.211 0.000 1.379 177 V CA 0.324 62.193 62.300 -0.718 0.000 1.191 177 V CB -1.476 29.952 31.823 -0.659 0.000 1.167 177 V HN 0.978 nan 8.190 nan 0.000 0.471 178 N N 1.034 118.655 118.700 -1.798 0.000 1.217 178 N HA -0.323 4.418 4.740 0.001 0.000 0.134 178 N C 0.248 175.221 175.510 -0.895 0.000 0.831 178 N CA 2.323 54.383 53.050 -1.650 0.000 0.924 178 N CB -1.412 35.788 38.487 -2.145 0.000 1.146 178 N HN 0.377 nan 8.380 nan 0.000 0.558 179 Y N 1.405 121.367 120.300 -0.563 0.000 2.502 179 Y HA 0.436 4.986 4.550 0.001 0.000 0.295 179 Y C 1.665 177.430 175.900 -0.226 0.000 1.193 179 Y CA 1.170 59.087 58.100 -0.305 0.000 1.295 179 Y CB -0.695 37.629 38.460 -0.226 0.000 1.059 179 Y HN 0.646 nan 8.280 nan 0.000 0.514 180 A N 0.152 122.850 122.820 -0.203 0.000 2.799 180 A HA -0.307 4.014 4.320 0.001 0.000 0.287 180 A C 0.941 178.662 177.584 0.227 0.000 1.484 180 A CA 0.699 52.730 52.037 -0.009 0.000 0.813 180 A CB -2.008 17.081 19.000 0.149 0.000 1.009 180 A HN 0.512 nan 8.150 nan 0.000 0.545 181 R N -1.156 119.404 120.500 0.099 0.000 2.801 181 R HA 0.347 4.688 4.340 0.001 0.000 0.273 181 R C 1.682 178.107 176.300 0.208 0.000 1.080 181 R CA 0.212 56.392 56.100 0.133 0.000 1.197 181 R CB 0.067 30.414 30.300 0.078 0.000 1.109 181 R HN 0.387 nan 8.270 nan 0.000 0.535 182 T N 1.820 116.418 114.554 0.074 0.000 2.622 182 T HA -0.235 4.115 4.350 0.001 0.000 0.266 182 T C 2.273 176.862 174.700 -0.184 0.000 1.047 182 T CA 2.144 64.172 62.100 -0.120 0.000 1.159 182 T CB -0.388 68.410 68.868 -0.117 0.000 0.863 182 T HN 0.780 nan 8.240 nan 0.000 0.422 183 E N 2.344 122.572 120.200 0.047 0.000 2.086 183 E HA -0.305 4.045 4.350 0.001 0.000 0.205 183 E C 1.840 178.582 176.600 0.236 0.000 1.027 183 E CA 2.000 58.521 56.400 0.203 0.000 0.830 183 E CB -1.263 28.568 29.700 0.220 0.000 0.751 183 E HN 0.633 nan 8.360 nan 0.000 0.456 184 D N -0.993 119.503 120.400 0.159 0.000 2.218 184 D HA -0.049 4.592 4.640 0.001 0.000 0.204 184 D C 1.718 178.096 176.300 0.130 0.000 0.976 184 D CA 0.926 55.014 54.000 0.148 0.000 0.853 184 D CB -0.312 40.330 40.800 -0.263 0.000 0.939 184 D HN 0.545 nan 8.370 nan 0.000 0.481 185 F N -0.321 119.682 119.950 0.089 0.000 2.416 185 F HA -0.008 4.520 4.527 0.001 0.000 0.296 185 F C 1.877 177.798 175.800 0.202 0.000 1.099 185 F CA 0.186 58.239 58.000 0.088 0.000 1.427 185 F CB 0.033 39.013 39.000 -0.033 0.000 1.079 185 F HN -0.166 nan 8.300 nan 0.000 0.536 186 F N 0.899 121.018 119.950 0.281 0.000 2.451 186 F HA -0.067 4.461 4.527 0.001 0.000 0.299 186 F C 2.308 178.188 175.800 0.134 0.000 1.101 186 F CA 0.922 59.029 58.000 0.178 0.000 1.436 186 F CB -1.530 37.557 39.000 0.145 0.000 1.074 186 F HN -0.055 nan 8.300 nan 0.000 0.553 187 K N 0.361 120.962 120.400 0.335 0.000 1.995 187 K HA 0.016 4.336 4.320 0.001 0.000 0.207 187 K C 2.325 178.965 176.600 0.067 0.000 1.041 187 K CA 1.478 57.867 56.287 0.169 0.000 0.942 187 K CB -1.289 nan 32.500 nan 0.000 0.731 187 K HN 0.078 nan 8.250 nan 0.000 0.439 188 L N 1.142 122.429 121.223 0.106 0.000 1.956 188 L HA -0.177 4.163 4.340 0.001 0.000 0.216 188 L C 3.383 180.320 176.870 0.112 0.000 1.073 188 L CA 3.046 57.932 54.840 0.078 0.000 0.762 188 L CB -1.633 40.498 42.059 0.120 0.000 0.889 188 L HN 0.869 nan 8.230 nan 0.000 0.433 189 E N -0.564 119.753 120.200 0.196 0.000 2.031 189 E HA -0.254 4.097 4.350 0.001 0.000 0.193 189 E C 2.361 179.039 176.600 0.130 0.000 0.994 189 E CA 2.483 58.995 56.400 0.187 0.000 0.800 189 E CB -0.895 nan 29.700 nan 0.000 0.752 189 E HN 0.702 nan 8.360 nan 0.000 0.447 190 R N 1.098 121.682 120.500 0.138 0.000 2.055 190 R HA -0.041 4.300 4.340 0.001 0.000 0.226 190 R C 2.224 178.538 176.300 0.024 0.000 1.135 190 R CA 1.860 57.994 56.100 0.057 0.000 0.959 190 R CB -1.001 nan 30.300 nan 0.000 0.854 190 R HN 0.569 nan 8.270 nan 0.000 0.431 191 D N 0.519 120.933 120.400 0.023 0.000 2.165 191 D HA 0.011 4.652 4.640 0.001 0.000 0.213 191 D C 1.850 178.139 176.300 -0.018 0.000 0.983 191 D CA 1.414 55.408 54.000 -0.009 0.000 0.881 191 D CB -0.222 40.560 40.800 -0.029 0.000 1.028 191 D HN 0.400 nan 8.370 nan 0.000 0.457 192 M N 0.545 120.126 119.600 -0.031 0.000 2.633 192 M HA 0.115 4.596 4.480 0.001 0.000 0.226 192 M C 1.052 177.346 176.300 -0.010 0.000 1.137 192 M CA 0.361 55.636 55.300 -0.041 0.000 1.020 192 M CB -0.302 32.245 32.600 -0.088 0.000 1.675 192 M HN 0.028 nan 8.290 nan 0.000 0.500 193 K N -0.432 119.975 120.400 0.011 0.000 2.938 193 K HA -0.167 4.154 4.320 0.001 0.000 0.250 193 K C -0.065 176.555 176.600 0.034 0.000 0.939 193 K CA 1.385 57.688 56.287 0.026 0.000 0.694 193 K CB -3.312 29.198 32.500 0.017 0.000 1.267 193 K HN 0.669 nan 8.250 nan 0.000 0.483 194 I N -1.121 119.473 120.570 0.040 0.000 2.575 194 I HA 0.645 4.815 4.170 0.001 0.000 0.285 194 I C 0.699 176.864 176.117 0.080 0.000 1.085 194 I CA -0.009 61.322 61.300 0.052 0.000 1.403 194 I CB 0.270 38.300 38.000 0.051 0.000 1.409 194 I HN 1.494 nan 8.210 nan 0.000 0.557 195 N N 2.275 121.019 118.700 0.074 0.000 2.371 195 N HA 0.512 5.253 4.740 0.001 0.000 0.291 195 N C -0.169 175.387 175.510 0.077 0.000 1.053 195 N CA 0.204 53.303 53.050 0.081 0.000 0.870 195 N CB 1.421 39.943 38.487 0.060 0.000 1.503 195 N HN 1.092 nan 8.380 nan 0.000 0.485 196 C N 0.169 119.526 119.300 0.096 0.000 3.038 196 C HA 0.571 5.032 4.460 0.001 0.000 0.279 196 C C 1.956 176.984 174.990 0.063 0.000 1.276 196 C CA 0.063 59.135 59.018 0.089 0.000 1.697 196 C CB -1.030 26.791 27.740 0.136 0.000 2.032 196 C HN 1.103 nan 8.230 nan 0.000 0.636 197 S N 1.212 116.942 115.700 0.051 0.000 3.361 197 S HA 0.350 4.821 4.470 0.001 0.000 0.396 197 S C 1.463 176.079 174.600 0.027 0.000 1.165 197 S CA 1.338 59.559 58.200 0.034 0.000 1.192 197 S CB -0.742 nan 63.200 nan 0.000 0.843 197 S HN 1.637 nan 8.310 nan 0.000 0.528 198 G N 0.299 109.113 108.800 0.023 0.000 2.213 198 G HA2 0.194 4.155 3.960 0.001 0.000 0.236 198 G HA3 0.194 4.155 3.960 0.001 0.000 0.236 198 G C 0.396 175.304 174.900 0.013 0.000 0.991 198 G CA 0.784 45.893 45.100 0.015 0.000 0.629 198 G HN 1.628 nan 8.290 nan 0.000 0.517 199 K N 0.273 120.687 120.400 0.023 0.000 2.098 199 K HA 0.865 5.186 4.320 0.001 0.000 0.244 199 K C 0.105 176.723 176.600 0.030 0.000 1.014 199 K CA 0.046 56.345 56.287 0.020 0.000 0.917 199 K CB 0.696 33.216 32.500 0.034 0.000 1.072 199 K HN 0.673 nan 8.250 nan 0.000 0.477 200 I N 1.987 122.571 120.570 0.023 0.000 2.355 200 I HA 0.272 4.442 4.170 0.001 0.000 0.288 200 I C 0.243 176.394 176.117 0.057 0.000 0.999 200 I CA -1.285 60.036 61.300 0.035 0.000 1.163 200 I CB 1.712 39.723 38.000 0.018 0.000 1.316 200 I HN 0.560 nan 8.210 nan 0.000 0.454 201 V N 4.945 124.907 119.914 0.080 0.000 2.649 201 V HA 0.418 4.539 4.120 0.001 0.000 0.292 201 V C 0.507 176.650 176.094 0.082 0.000 1.055 201 V CA -0.701 61.653 62.300 0.091 0.000 1.023 201 V CB 1.280 33.169 31.823 0.109 0.000 0.992 201 V HN 0.719 nan 8.190 nan 0.000 0.480 202 I N 3.273 123.902 120.570 0.099 0.000 2.749 202 I HA 0.022 4.193 4.170 0.001 0.000 0.127 202 I C 0.461 176.680 176.117 0.170 0.000 0.884 202 I CA 2.037 63.432 61.300 0.159 0.000 2.785 202 I CB -0.244 37.871 38.000 0.191 0.000 0.570 202 I HN 1.377 nan 8.210 nan 0.000 0.352 203 A N 7.395 130.313 122.820 0.163 0.000 2.549 203 A HA 0.799 5.120 4.320 0.001 0.000 0.297 203 A C -0.545 177.047 177.584 0.013 0.000 1.061 203 A CA -0.981 51.085 52.037 0.047 0.000 0.690 203 A CB 1.283 20.241 19.000 -0.070 0.000 1.287 203 A HN 0.687 nan 8.150 nan 0.000 0.402 204 R N 1.138 121.580 120.500 -0.097 0.000 2.441 204 R HA 0.475 4.816 4.340 0.001 0.000 0.284 204 R C -1.033 175.236 176.300 -0.052 0.000 1.070 204 R CA -0.370 55.505 56.100 -0.376 0.000 1.047 204 R CB 0.406 30.475 30.300 -0.386 0.000 1.016 204 R HN 0.647 nan 8.270 nan 0.000 0.477 205 Y N 1.122 121.391 120.300 -0.050 0.000 2.683 205 Y HA 0.210 4.760 4.550 0.001 0.000 0.340 205 Y C 1.426 177.475 175.900 0.248 0.000 1.245 205 Y CA 1.697 59.855 58.100 0.096 0.000 1.485 205 Y CB 0.886 39.374 38.460 0.046 0.000 1.328 205 Y HN 0.991 nan 8.280 nan 0.000 0.603 206 G N -0.047 108.938 108.800 0.308 0.000 2.334 206 G HA2 0.232 4.192 3.960 0.001 0.000 0.566 206 G HA3 0.232 4.192 3.960 0.001 0.000 0.566 206 G C -0.247 174.464 174.900 -0.314 0.000 1.413 206 G CA -0.426 44.648 45.100 -0.043 0.000 0.993 206 G HN 0.580 nan 8.290 nan 0.000 0.642 207 K N -3.055 117.102 120.400 -0.406 0.000 9.188 207 K HA -0.285 4.036 4.320 0.001 0.000 0.503 207 K C 1.619 178.088 176.600 -0.219 0.000 0.367 207 K CA 2.983 59.031 56.287 -0.398 0.000 1.958 207 K CB -2.246 29.896 32.500 -0.596 0.000 0.698 207 K HN 2.404 nan 8.250 nan 0.000 1.029 208 V N -0.982 118.862 119.914 -0.117 0.000 2.850 208 V HA 0.834 4.954 4.120 0.001 0.000 0.315 208 V C 0.362 176.531 176.094 0.125 0.000 1.064 208 V CA -0.659 61.649 62.300 0.012 0.000 0.979 208 V CB 1.298 33.153 31.823 0.053 0.000 1.039 208 V HN 0.519 nan 8.190 nan 0.000 0.452 209 F N 4.040 124.064 119.950 0.124 0.000 2.607 209 F HA 0.302 4.830 4.527 0.001 0.000 0.374 209 F C 1.761 177.664 175.800 0.172 0.000 1.104 209 F CA 0.080 58.203 58.000 0.204 0.000 1.296 209 F CB 0.804 39.982 39.000 0.296 0.000 1.085 209 F HN 0.843 nan 8.300 nan 0.000 0.584 210 R N 3.135 123.283 120.500 -0.587 0.000 2.237 210 R HA 0.006 4.346 4.340 0.001 0.000 0.219 210 R C 1.709 177.675 176.300 -0.556 0.000 1.080 210 R CA 1.224 57.080 56.100 -0.406 0.000 0.995 210 R CB -1.040 29.208 30.300 -0.087 0.000 0.875 210 R HN 0.780 nan 8.270 nan 0.000 0.462 211 G N 1.084 109.199 108.800 -1.141 0.000 2.421 211 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 211 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 211 G C 0.841 175.674 174.900 -0.112 0.000 1.143 211 G CA 0.611 45.438 45.100 -0.454 0.000 0.784 211 G HN 0.401 nan 8.290 nan 0.000 0.541 212 N N 0.707 119.389 118.700 -0.029 0.000 2.120 212 N HA -0.050 4.691 4.740 0.001 0.000 0.188 212 N C 2.076 177.590 175.510 0.006 0.000 1.024 212 N CA 1.178 54.262 53.050 0.058 0.000 0.852 212 N CB -0.119 38.446 38.487 0.131 0.000 1.003 212 N HN 0.288 nan 8.380 nan 0.000 0.424 213 K N 0.271 120.665 120.400 -0.010 0.000 2.074 213 K HA -0.106 4.214 4.320 0.001 0.000 0.209 213 K C 1.787 178.389 176.600 0.005 0.000 1.048 213 K CA 1.170 57.474 56.287 0.028 0.000 0.926 213 K CB -0.272 32.228 32.500 0.000 0.000 0.713 213 K HN 0.052 nan 8.250 nan 0.000 0.444 214 V N 1.219 121.109 119.914 -0.039 0.000 2.453 214 V HA -0.223 3.897 4.120 0.001 0.000 0.247 214 V C 2.386 178.453 176.094 -0.045 0.000 1.048 214 V CA 1.735 64.015 62.300 -0.033 0.000 1.049 214 V CB -0.232 31.571 31.823 -0.034 0.000 0.672 214 V HN 0.275 nan 8.190 nan 0.000 0.457 215 K N 0.666 121.041 120.400 -0.042 0.000 2.032 215 K HA -0.222 4.098 4.320 0.001 0.000 0.209 215 K C 1.966 178.493 176.600 -0.123 0.000 1.048 215 K CA 2.109 58.367 56.287 -0.048 0.000 0.927 215 K CB -0.815 31.680 32.500 -0.008 0.000 0.712 215 K HN 0.686 nan 8.250 nan 0.000 0.441 216 N N 0.558 119.151 118.700 -0.178 0.000 2.166 216 N HA 0.002 4.742 4.740 0.001 0.000 0.186 216 N C 1.837 176.950 175.510 -0.662 0.000 1.019 216 N CA 1.628 54.413 53.050 -0.441 0.000 0.856 216 N CB -0.844 37.380 38.487 -0.439 0.000 0.993 216 N HN 0.488 nan 8.380 nan 0.000 0.426 217 A N 0.831 123.450 122.820 -0.334 0.000 1.933 217 A HA -0.191 4.129 4.320 0.001 0.000 0.218 217 A C 2.229 179.732 177.584 -0.136 0.000 1.175 217 A CA 1.413 53.356 52.037 -0.157 0.000 0.628 217 A CB -0.629 18.391 19.000 0.034 0.000 0.814 217 A HN 0.302 nan 8.150 nan 0.000 0.444 218 Q N -0.834 118.897 119.800 -0.114 0.000 1.993 218 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 218 Q C 2.200 178.148 176.000 -0.086 0.000 0.984 218 Q CA 2.094 57.854 55.803 -0.071 0.000 0.837 218 Q CB -0.394 28.314 28.738 -0.050 0.000 0.902 218 Q HN 0.457 nan 8.270 nan 0.000 0.423 219 L N -0.192 120.956 121.223 -0.124 0.000 2.081 219 L HA -0.171 4.170 4.340 0.001 0.000 0.212 219 L C 2.126 178.932 176.870 -0.107 0.000 1.080 219 L CA 1.525 56.299 54.840 -0.110 0.000 0.754 219 L CB -1.517 40.461 42.059 -0.136 0.000 0.893 219 L HN 0.488 nan 8.230 nan 0.000 0.433 220 A N -1.988 120.729 122.820 -0.171 0.000 2.411 220 A HA 0.468 4.789 4.320 0.001 0.000 0.251 220 A C 1.940 179.519 177.584 -0.010 0.000 1.317 220 A CA 0.712 52.691 52.037 -0.096 0.000 0.904 220 A CB -0.689 18.207 19.000 -0.173 0.000 0.993 220 A HN 1.104 nan 8.150 nan 0.000 0.504 221 G N -1.215 107.576 108.800 -0.015 0.000 2.253 221 G HA2 -0.008 3.952 3.960 0.001 0.000 0.251 221 G HA3 -0.008 3.952 3.960 0.001 0.000 0.251 221 G C 0.759 175.671 174.900 0.020 0.000 0.998 221 G CA 0.338 45.444 45.100 0.010 0.000 0.621 221 G HN 1.791 nan 8.290 nan 0.000 0.524 222 A N 0.052 122.890 122.820 0.030 0.000 2.583 222 A HA 0.465 4.785 4.320 0.001 0.000 0.231 222 A C 1.453 179.051 177.584 0.024 0.000 1.065 222 A CA 2.167 54.230 52.037 0.043 0.000 0.760 222 A CB 0.255 19.295 19.000 0.067 0.000 1.001 222 A HN 1.858 nan 8.150 nan 0.000 0.509 223 K N 0.642 121.056 120.400 0.023 0.000 2.438 223 K HA 0.485 4.806 4.320 0.001 0.000 0.206 223 K C 0.407 177.014 176.600 0.010 0.000 1.081 223 K CA 0.697 56.992 56.287 0.013 0.000 1.053 223 K CB -0.114 32.391 32.500 0.009 0.000 0.908 223 K HN 2.205 nan 8.250 nan 0.000 0.556 224 G N -0.239 108.572 108.800 0.018 0.000 2.677 224 G HA2 0.557 4.518 3.960 0.001 0.000 0.291 224 G HA3 0.557 4.518 3.960 0.001 0.000 0.291 224 G C -1.760 173.158 174.900 0.030 0.000 1.435 224 G CA -0.418 44.693 45.100 0.017 0.000 0.826 224 G HN 0.301 nan 8.290 nan 0.000 0.491 225 V N 0.310 120.241 119.914 0.028 0.000 2.638 225 V HA 0.618 4.739 4.120 0.001 0.000 0.306 225 V C -0.398 175.714 176.094 0.029 0.000 1.052 225 V CA -0.690 61.628 62.300 0.030 0.000 0.885 225 V CB 1.640 33.472 31.823 0.014 0.000 0.999 225 V HN 0.713 nan 8.190 nan 0.000 0.424 226 I N 5.172 125.764 120.570 0.036 0.000 2.441 226 I HA 0.590 4.761 4.170 0.001 0.000 0.295 226 I C -0.273 175.844 176.117 0.000 0.000 0.994 226 I CA -0.608 60.715 61.300 0.038 0.000 1.144 226 I CB 1.441 39.481 38.000 0.068 0.000 1.314 226 I HN 0.540 nan 8.210 nan 0.000 0.445 227 L N 6.248 127.423 121.223 -0.081 0.000 2.362 227 L HA 0.686 5.027 4.340 0.001 0.000 0.275 227 L C -0.905 175.873 176.870 -0.154 0.000 0.998 227 L CA -0.737 53.925 54.840 -0.298 0.000 0.820 227 L CB 1.701 43.352 42.059 -0.680 0.000 1.270 227 L HN 0.828 nan 8.230 nan 0.000 0.415 228 Y N 0.238 120.418 120.300 -0.200 0.000 2.581 228 Y HA 0.665 5.216 4.550 0.001 0.000 0.345 228 Y C -0.903 175.112 175.900 0.192 0.000 1.036 228 Y CA -1.108 57.006 58.100 0.023 0.000 1.042 228 Y CB 1.724 40.226 38.460 0.070 0.000 1.289 228 Y HN 0.382 nan 8.280 nan 0.000 0.471 229 S N 3.235 119.050 115.700 0.190 0.000 2.404 229 S HA 0.122 4.593 4.470 0.001 0.000 0.309 229 S C -0.907 173.896 174.600 0.338 0.000 1.076 229 S CA -0.710 57.572 58.200 0.137 0.000 1.095 229 S CB 0.263 63.431 63.200 -0.054 0.000 0.972 229 S HN 0.689 nan 8.310 nan 0.000 0.484 230 D N 3.076 123.581 120.400 0.176 0.000 2.350 230 D HA 0.174 4.815 4.640 0.001 0.000 0.249 230 D C -1.699 174.770 176.300 0.282 0.000 1.119 230 D CA -2.030 52.176 54.000 0.343 0.000 0.886 230 D CB 1.482 42.423 40.800 0.235 0.000 1.195 230 D HN 0.106 nan 8.370 nan 0.000 0.437 231 P HA -0.110 nan 4.420 nan 0.000 0.219 231 P C 0.938 178.290 177.300 0.087 0.000 1.146 231 P CA 1.237 64.310 63.100 -0.046 0.000 0.808 231 P CB 0.152 31.576 31.700 -0.461 0.000 0.779 232 A N -0.014 122.844 122.820 0.063 0.000 1.948 232 A HA -0.239 4.082 4.320 0.001 0.000 0.220 232 A C 1.905 179.506 177.584 0.028 0.000 1.177 232 A CA 2.168 54.233 52.037 0.046 0.000 0.636 232 A CB -1.082 17.928 19.000 0.018 0.000 0.815 232 A HN 0.170 nan 8.150 nan 0.000 0.449 233 D N -2.835 117.571 120.400 0.010 0.000 2.324 233 D HA 0.072 4.713 4.640 0.001 0.000 0.212 233 D C 0.205 176.238 176.300 -0.445 0.000 0.984 233 D CA 0.797 54.651 54.000 -0.243 0.000 0.885 233 D CB 0.057 40.664 40.800 -0.322 0.000 0.996 233 D HN 0.629 nan 8.370 nan 0.000 0.505 234 Y N -0.746 119.632 120.300 0.131 0.000 2.706 234 Y HA 0.265 4.816 4.550 0.001 0.000 0.255 234 Y C -0.432 175.592 175.900 0.206 0.000 1.163 234 Y CA -0.575 57.619 58.100 0.157 0.000 1.174 234 Y CB 0.559 39.125 38.460 0.175 0.000 1.200 234 Y HN -0.220 nan 8.280 nan 0.000 0.544 235 F N 1.447 121.450 119.950 0.089 0.000 2.810 235 F HA 0.725 5.253 4.527 0.001 0.000 0.373 235 F C -0.026 175.740 175.800 -0.057 0.000 1.174 235 F CA -1.408 56.595 58.000 0.005 0.000 1.141 235 F CB 0.370 39.331 39.000 -0.065 0.000 1.420 235 F HN -0.020 nan 8.300 nan 0.000 0.518 236 A N 6.577 129.188 122.820 -0.350 0.000 2.515 236 A HA 0.369 4.689 4.320 0.001 0.000 0.263 236 A C -2.382 174.998 177.584 -0.340 0.000 1.096 236 A CA -1.081 50.784 52.037 -0.287 0.000 0.769 236 A CB -0.693 18.089 19.000 -0.363 0.000 1.040 236 A HN 0.495 nan 8.150 nan 0.000 0.505 237 P HA 0.152 nan 4.420 nan 0.000 0.261 237 P C 1.118 178.351 177.300 -0.111 0.000 1.173 237 P CA 2.062 65.151 63.100 -0.018 0.000 0.760 237 P CB 0.477 32.183 31.700 0.010 0.000 0.783 238 G N 1.235 109.987 108.800 -0.080 0.000 2.176 238 G HA2 -0.170 3.791 3.960 0.001 0.000 0.253 238 G HA3 -0.170 3.791 3.960 0.001 0.000 0.253 238 G C -0.038 174.738 174.900 -0.207 0.000 0.979 238 G CA 0.033 45.072 45.100 -0.101 0.000 0.641 238 G HN 0.747 nan 8.290 nan 0.000 0.530 239 V N -1.200 118.473 119.914 -0.402 0.000 2.769 239 V HA 0.975 5.096 4.120 0.001 0.000 0.312 239 V C 0.164 175.918 176.094 -0.566 0.000 1.061 239 V CA 0.455 62.406 62.300 -0.581 0.000 0.931 239 V CB 1.559 32.769 31.823 -1.022 0.000 1.010 239 V HN 1.221 nan 8.190 nan 0.000 0.433 240 K N 2.947 123.080 120.400 -0.445 0.000 2.118 240 K HA 0.708 5.029 4.320 0.001 0.000 0.264 240 K C 0.394 176.810 176.600 -0.306 0.000 1.000 240 K CA 0.116 56.247 56.287 -0.259 0.000 0.929 240 K CB 0.901 33.302 32.500 -0.165 0.000 1.021 240 K HN 1.064 nan 8.250 nan 0.000 0.463 241 S N 0.181 115.828 115.700 -0.089 0.000 2.576 241 S HA 0.173 4.644 4.470 0.001 0.000 0.272 241 S C 0.032 174.588 174.600 -0.073 0.000 1.352 241 S CA -0.238 57.943 58.200 -0.032 0.000 1.021 241 S CB -0.089 63.170 63.200 0.098 0.000 0.887 241 S HN 0.515 nan 8.310 nan 0.000 0.542 242 Y N 4.078 124.286 120.300 -0.153 0.000 2.597 242 Y HA 0.160 4.710 4.550 0.001 0.000 0.336 242 Y C -1.295 174.532 175.900 -0.121 0.000 1.216 242 Y CA -1.332 56.709 58.100 -0.100 0.000 1.463 242 Y CB 0.566 38.990 38.460 -0.060 0.000 1.303 242 Y HN 0.426 nan 8.280 nan 0.000 0.576 243 P HA 0.070 nan 4.420 nan 0.000 0.257 243 P C -0.423 176.718 177.300 -0.265 0.000 1.325 243 P CA 0.667 63.211 63.100 -0.926 0.000 0.850 243 P CB 0.493 31.828 31.700 -0.608 0.000 1.324 244 D N -0.733 119.582 120.400 -0.143 0.000 2.417 244 D HA 0.172 4.812 4.640 0.001 0.000 0.207 244 D C 1.200 177.382 176.300 -0.197 0.000 1.075 244 D CA 0.481 54.475 54.000 -0.011 0.000 0.851 244 D CB 1.346 42.132 40.800 -0.023 0.000 0.976 244 D HN 0.208 nan 8.370 nan 0.000 0.505 245 G N 0.087 108.596 108.800 -0.486 0.000 2.975 245 G HA2 0.306 4.267 3.960 0.001 0.000 0.291 245 G HA3 0.306 4.267 3.960 0.001 0.000 0.291 245 G C -0.702 173.742 174.900 -0.759 0.000 1.334 245 G CA -0.757 43.763 45.100 -0.966 0.000 0.843 245 G HN 0.107 nan 8.290 nan 0.000 0.548 246 W N 0.714 121.649 121.300 -0.609 0.000 3.305 246 W HA 0.422 5.083 4.660 0.001 0.000 0.392 246 W C -0.467 176.026 176.519 -0.043 0.000 1.121 246 W CA -0.896 56.340 57.345 -0.182 0.000 1.909 246 W CB -0.531 28.828 29.460 -0.167 0.000 1.065 246 W HN 0.065 nan 8.180 nan 0.000 0.714 247 N N 1.653 120.225 118.700 -0.215 0.000 2.476 247 N HA 0.208 4.948 4.740 0.001 0.000 0.275 247 N C -0.729 174.826 175.510 0.076 0.000 1.190 247 N CA -0.657 52.259 53.050 -0.223 0.000 0.977 247 N CB 1.883 39.930 38.487 -0.733 0.000 1.200 247 N HN -0.025 nan 8.380 nan 0.000 0.515 248 L N 3.202 124.552 121.223 0.211 0.000 2.361 248 L HA 0.391 4.732 4.340 0.001 0.000 0.278 248 L C -2.245 174.807 176.870 0.305 0.000 1.113 248 L CA -1.215 53.801 54.840 0.293 0.000 0.849 248 L CB 0.415 42.702 42.059 0.380 0.000 1.155 248 L HN 0.422 nan 8.230 nan 0.000 0.452 249 P HA 0.206 nan 4.420 nan 0.000 0.273 249 P C 0.543 177.456 177.300 -0.646 0.000 1.250 249 P CA -0.217 62.798 63.100 -0.141 0.000 0.793 249 P CB 0.544 32.091 31.700 -0.255 0.000 1.011 250 G N 0.382 108.365 108.800 -1.362 0.000 2.471 250 G HA2 -0.127 3.834 3.960 0.001 0.000 0.219 250 G HA3 -0.127 3.834 3.960 0.001 0.000 0.219 250 G C 1.402 175.595 174.900 -1.178 0.000 1.125 250 G CA 0.700 44.321 45.100 -2.465 0.000 0.775 250 G HN 0.644 nan 8.290 nan 0.000 0.548 251 G N 0.073 108.533 108.800 -0.568 0.000 2.985 251 G HA2 0.381 4.341 3.960 0.001 0.000 0.209 251 G HA3 0.381 4.341 3.960 0.001 0.000 0.209 251 G C 0.822 175.729 174.900 0.011 0.000 1.165 251 G CA 0.397 45.422 45.100 -0.123 0.000 0.776 251 G HN 0.575 nan 8.290 nan 0.000 0.541 252 G N -0.293 108.521 108.800 0.024 0.000 2.415 252 G HA2 0.456 4.416 3.960 0.001 0.000 0.269 252 G HA3 0.456 4.416 3.960 0.001 0.000 0.269 252 G C -0.992 173.917 174.900 0.014 0.000 1.209 252 G CA -0.149 45.054 45.100 0.171 0.000 0.835 252 G HN 0.224 nan 8.290 nan 0.000 0.534 253 V N 1.836 121.738 119.914 -0.021 0.000 2.638 253 V HA 0.314 4.435 4.120 0.001 0.000 0.306 253 V C 0.010 176.027 176.094 -0.128 0.000 1.052 253 V CA -0.919 61.350 62.300 -0.052 0.000 0.885 253 V CB 1.805 33.598 31.823 -0.051 0.000 0.999 253 V HN 0.834 nan 8.190 nan 0.000 0.424 254 Q N 4.035 123.729 119.800 -0.178 0.000 2.300 254 Q HA 0.261 4.601 4.340 0.001 0.000 0.262 254 Q C 0.179 175.972 176.000 -0.344 0.000 1.109 254 Q CA -0.123 55.461 55.803 -0.365 0.000 0.905 254 Q CB 0.453 28.719 28.738 -0.785 0.000 1.280 254 Q HN 0.613 nan 8.270 nan 0.000 0.426 255 R N 1.469 121.657 120.500 -0.520 0.000 2.738 255 R HA 0.652 4.992 4.340 0.001 0.000 0.275 255 R C 0.022 175.772 176.300 -0.917 0.000 1.121 255 R CA 0.425 55.983 56.100 -0.903 0.000 1.207 255 R CB 0.755 30.131 30.300 -1.540 0.000 1.141 255 R HN 0.820 nan 8.270 nan 0.000 0.571 256 G N 0.109 108.251 108.800 -1.097 0.000 2.352 256 G HA2 0.020 3.980 3.960 0.001 0.000 0.303 256 G HA3 0.020 3.980 3.960 0.001 0.000 0.303 256 G C -1.665 173.058 174.900 -0.296 0.000 1.593 256 G CA -1.009 43.786 45.100 -0.509 0.000 0.963 256 G HN 0.758 nan 8.290 nan 0.000 0.685 257 N N -1.211 117.514 118.700 0.041 0.000 2.424 257 N HA 0.595 5.335 4.740 0.001 0.000 0.257 257 N C 0.850 176.455 175.510 0.159 0.000 1.250 257 N CA -0.262 52.882 53.050 0.157 0.000 0.946 257 N CB 1.225 39.938 38.487 0.377 0.000 1.175 257 N HN 0.997 nan 8.380 nan 0.000 0.477 258 I N -2.677 117.991 120.570 0.165 0.000 3.241 258 I HA 0.339 4.509 4.170 0.001 0.000 0.333 258 I C -0.943 175.243 176.117 0.114 0.000 1.534 258 I CA -0.721 60.606 61.300 0.045 0.000 0.979 258 I CB -0.073 37.930 38.000 0.005 0.000 1.497 258 I HN 0.284 nan 8.210 nan 0.000 0.530 259 L N 1.675 123.019 121.223 0.201 0.000 2.436 259 L HA 0.325 4.666 4.340 0.001 0.000 0.265 259 L C 0.399 177.380 176.870 0.184 0.000 1.168 259 L CA 0.051 54.948 54.840 0.096 0.000 0.815 259 L CB 0.402 42.439 42.059 -0.037 0.000 1.109 259 L HN 0.349 nan 8.230 nan 0.000 0.462 260 N N 3.251 122.005 118.700 0.090 0.000 2.898 260 N HA 0.222 4.963 4.740 0.001 0.000 0.245 260 N C 0.527 176.049 175.510 0.019 0.000 1.185 260 N CA -0.114 53.002 53.050 0.110 0.000 0.879 260 N CB 1.282 39.826 38.487 0.095 0.000 1.157 260 N HN 0.569 nan 8.380 nan 0.000 0.503 261 L N 0.517 121.730 121.223 -0.018 0.000 2.341 261 L HA 0.050 4.391 4.340 0.001 0.000 0.214 261 L C 0.216 177.004 176.870 -0.136 0.000 1.115 261 L CA 0.201 54.980 54.840 -0.101 0.000 0.820 261 L CB -0.155 41.813 42.059 -0.152 0.000 0.944 261 L HN 0.381 nan 8.230 nan 0.000 0.452 262 N N 1.154 119.785 118.700 -0.114 0.000 2.699 262 N HA -0.222 4.519 4.740 0.001 0.000 0.256 262 N C 1.038 176.092 175.510 -0.760 0.000 0.993 262 N CA 1.051 53.910 53.050 -0.317 0.000 0.759 262 N CB -1.470 36.883 38.487 -0.224 0.000 0.906 262 N HN 0.602 nan 8.380 nan 0.000 0.541 263 G N -1.881 106.634 108.800 -0.475 0.000 2.162 263 G HA2 -0.304 3.656 3.960 0.001 0.000 0.260 263 G HA3 -0.304 3.656 3.960 0.001 0.000 0.260 263 G C 1.051 175.686 174.900 -0.440 0.000 0.976 263 G CA 0.903 45.752 45.100 -0.419 0.000 0.655 263 G HN 1.015 nan 8.290 nan 0.000 0.533 264 A N -0.400 122.160 122.820 -0.434 0.000 2.066 264 A HA 0.530 4.851 4.320 0.001 0.000 0.218 264 A C 2.687 179.895 177.584 -0.628 0.000 1.157 264 A CA 2.048 53.667 52.037 -0.697 0.000 0.670 264 A CB -0.499 18.275 19.000 -0.377 0.000 0.804 264 A HN 2.663 nan 8.150 nan 0.000 0.453 265 G N -0.261 108.282 108.800 -0.428 0.000 2.525 265 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 265 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 265 G C -0.194 174.543 174.900 -0.271 0.000 1.238 265 G CA 0.159 45.050 45.100 -0.349 0.000 0.926 265 G HN 0.853 nan 8.290 nan 0.000 0.574 266 D N 1.870 122.130 120.400 -0.234 0.000 2.662 266 D HA 0.265 4.905 4.640 0.001 0.000 0.237 266 D C -0.422 175.772 176.300 -0.176 0.000 1.154 266 D CA -0.166 53.732 54.000 -0.171 0.000 0.861 266 D CB 0.770 41.487 40.800 -0.139 0.000 1.146 266 D HN 0.114 nan 8.370 nan 0.000 0.518 267 P HA -0.124 nan 4.420 nan 0.000 0.221 267 P C 1.065 178.305 177.300 -0.099 0.000 1.145 267 P CA 1.011 64.016 63.100 -0.157 0.000 0.795 267 P CB 0.119 31.701 31.700 -0.196 0.000 0.775 268 L N -1.868 119.305 121.223 -0.084 0.000 2.509 268 L HA 0.094 4.435 4.340 0.001 0.000 0.222 268 L C 0.833 177.678 176.870 -0.042 0.000 1.123 268 L CA 1.101 55.904 54.840 -0.063 0.000 0.856 268 L CB -0.759 41.258 42.059 -0.070 0.000 0.985 268 L HN 0.068 nan 8.230 nan 0.000 0.456 269 T N -2.742 111.781 114.554 -0.051 0.000 3.624 269 T HA 0.291 4.641 4.350 0.001 0.000 0.244 269 T C -2.668 172.012 174.700 -0.033 0.000 1.063 269 T CA -1.525 60.573 62.100 -0.002 0.000 1.252 269 T CB 0.174 69.032 68.868 -0.016 0.000 1.021 269 T HN -0.153 nan 8.240 nan 0.000 0.590 270 P HA 0.302 nan 4.420 nan 0.000 0.262 270 P C 1.192 178.427 177.300 -0.108 0.000 1.199 270 P CA 1.123 64.106 63.100 -0.194 0.000 0.763 270 P CB 0.512 32.216 31.700 0.007 0.000 0.790 271 G N 2.316 110.852 108.800 -0.439 0.000 2.254 271 G HA2 -0.202 3.758 3.960 0.001 0.000 0.225 271 G HA3 -0.202 3.758 3.960 0.001 0.000 0.225 271 G C -0.558 173.762 174.900 -0.966 0.000 1.003 271 G CA -0.317 44.444 45.100 -0.565 0.000 0.622 271 G HN 0.505 nan 8.290 nan 0.000 0.507 272 Y N 1.065 121.300 120.300 -0.109 0.000 2.534 272 Y HA 0.589 5.139 4.550 0.001 0.000 0.345 272 Y C -2.321 173.507 175.900 -0.120 0.000 1.031 272 Y CA -2.325 55.726 58.100 -0.082 0.000 1.022 272 Y CB 2.170 40.610 38.460 -0.033 0.000 1.292 272 Y HN -0.042 nan 8.280 nan 0.000 0.459 273 P HA 0.137 nan 4.420 nan 0.000 0.271 273 P C -0.582 176.739 177.300 0.035 0.000 1.216 273 P CA -0.118 62.980 63.100 -0.003 0.000 0.771 273 P CB 0.961 32.716 31.700 0.092 0.000 0.864 274 A N 3.313 126.165 122.820 0.053 0.000 3.037 274 A HA 0.161 4.481 4.320 0.001 0.000 0.272 274 A C 0.778 178.433 177.584 0.117 0.000 1.723 274 A CA -0.378 51.691 52.037 0.052 0.000 1.413 274 A CB -1.577 17.435 19.000 0.021 0.000 1.112 274 A HN 0.654 nan 8.150 nan 0.000 0.606 275 N N -0.298 118.385 118.700 -0.029 0.000 2.593 275 N HA 0.242 4.983 4.740 0.001 0.000 0.304 275 N C 0.436 175.839 175.510 -0.177 0.000 1.296 275 N CA -0.520 52.468 53.050 -0.103 0.000 0.950 275 N CB 0.160 38.527 38.487 -0.199 0.000 1.127 275 N HN 0.201 nan 8.380 nan 0.000 0.587 276 E N -2.103 118.025 120.200 -0.119 0.000 2.274 276 E HA -0.075 4.275 4.350 0.001 0.000 0.194 276 E C 0.106 176.721 176.600 0.024 0.000 0.996 276 E CA 0.979 57.372 56.400 -0.012 0.000 0.840 276 E CB -0.276 29.480 29.700 0.093 0.000 0.772 276 E HN 0.703 nan 8.360 nan 0.000 0.491 277 Y N -2.965 117.354 120.300 0.032 0.000 2.557 277 Y HA 0.601 5.152 4.550 0.001 0.000 0.247 277 Y C 0.280 176.206 175.900 0.043 0.000 1.164 277 Y CA -0.714 57.404 58.100 0.031 0.000 1.218 277 Y CB -0.440 38.037 38.460 0.028 0.000 1.210 277 Y HN -0.165 nan 8.280 nan 0.000 0.529 278 A N 1.165 123.830 122.820 -0.259 0.000 2.531 278 A HA 0.086 4.406 4.320 0.001 0.000 0.236 278 A C -0.999 176.594 177.584 0.016 0.000 1.062 278 A CA -0.106 51.848 52.037 -0.139 0.000 0.760 278 A CB -0.305 18.607 19.000 -0.146 0.000 0.995 278 A HN 0.568 nan 8.150 nan 0.000 0.501 279 Y N 1.884 122.155 120.300 -0.048 0.000 2.365 279 Y HA 0.479 5.030 4.550 0.001 0.000 0.340 279 Y C 0.526 176.407 175.900 -0.032 0.000 1.016 279 Y CA -0.071 58.011 58.100 -0.030 0.000 1.196 279 Y CB 0.593 39.032 38.460 -0.035 0.000 1.167 279 Y HN 0.697 nan 8.280 nan 0.000 0.509 280 R N 5.166 125.341 120.500 -0.543 0.000 2.368 280 R HA 0.406 4.746 4.340 0.001 0.000 0.302 280 R C -0.140 175.877 176.300 -0.472 0.000 1.002 280 R CA -0.734 55.148 56.100 -0.364 0.000 0.929 280 R CB 1.012 31.154 30.300 -0.263 0.000 1.073 280 R HN 0.741 nan 8.270 nan 0.000 0.464 281 R N 0.539 120.932 120.500 -0.177 0.000 2.811 281 R HA 0.053 4.394 4.340 0.001 0.000 0.265 281 R C 0.571 176.806 176.300 -0.108 0.000 1.026 281 R CA 0.430 56.480 56.100 -0.084 0.000 1.142 281 R CB 0.279 30.574 30.300 -0.008 0.000 1.027 281 R HN 0.747 nan 8.270 nan 0.000 0.465 282 G N 0.081 108.848 108.800 -0.055 0.000 2.483 282 G HA2 0.146 4.107 3.960 0.001 0.000 0.248 282 G HA3 0.146 4.107 3.960 0.001 0.000 0.248 282 G C 1.235 176.122 174.900 -0.023 0.000 1.248 282 G CA -0.702 44.374 45.100 -0.040 0.000 0.838 282 G HN 0.417 nan 8.290 nan 0.000 0.566 283 I N 1.857 122.417 120.570 -0.017 0.000 2.236 283 I HA -0.289 3.882 4.170 0.001 0.000 0.249 283 I C 3.295 179.414 176.117 0.003 0.000 1.102 283 I CA 1.726 63.025 61.300 -0.002 0.000 1.365 283 I CB -1.522 36.485 38.000 0.012 0.000 1.051 283 I HN 0.796 nan 8.210 nan 0.000 0.420 284 A N 0.078 122.900 122.820 0.005 0.000 1.917 284 A HA -0.265 4.056 4.320 0.001 0.000 0.219 284 A C 2.000 179.588 177.584 0.007 0.000 1.182 284 A CA 2.077 54.118 52.037 0.008 0.000 0.633 284 A CB -0.606 18.400 19.000 0.010 0.000 0.819 284 A HN 0.671 nan 8.150 nan 0.000 0.448 285 E N 0.017 120.222 120.200 0.008 0.000 2.465 285 E HA 0.447 4.797 4.350 0.001 0.000 0.191 285 E C 0.572 177.175 176.600 0.004 0.000 1.053 285 E CA 0.225 56.632 56.400 0.012 0.000 0.869 285 E CB 0.023 29.738 29.700 0.025 0.000 0.977 285 E HN 0.597 nan 8.360 nan 0.000 0.483 286 A N 0.757 123.573 122.820 -0.007 0.000 2.425 286 A HA 0.214 4.534 4.320 0.001 0.000 0.242 286 A C 0.239 177.804 177.584 -0.033 0.000 1.077 286 A CA -0.403 51.619 52.037 -0.025 0.000 0.781 286 A CB 0.499 19.478 19.000 -0.034 0.000 1.020 286 A HN 0.085 nan 8.150 nan 0.000 0.494 287 V N 1.852 121.735 119.914 -0.052 0.000 2.461 287 V HA 0.506 4.627 4.120 0.001 0.000 0.275 287 V C 1.420 177.461 176.094 -0.088 0.000 1.047 287 V CA 1.159 63.427 62.300 -0.053 0.000 0.955 287 V CB 0.287 32.079 31.823 -0.052 0.000 0.988 287 V HN 1.907 nan 8.190 nan 0.000 0.471 288 G N 4.404 113.168 108.800 -0.061 0.000 2.162 288 G HA2 -0.219 3.741 3.960 0.001 0.000 0.260 288 G HA3 -0.219 3.741 3.960 0.001 0.000 0.260 288 G C 0.079 174.937 174.900 -0.069 0.000 0.976 288 G CA -0.015 45.048 45.100 -0.063 0.000 0.655 288 G HN 0.569 nan 8.290 nan 0.000 0.533 289 L N 2.072 123.258 121.223 -0.062 0.000 2.367 289 L HA 0.342 4.683 4.340 0.001 0.000 0.275 289 L C -1.091 175.784 176.870 0.009 0.000 1.129 289 L CA -1.751 53.072 54.840 -0.029 0.000 0.839 289 L CB 0.461 42.517 42.059 -0.006 0.000 1.133 289 L HN 0.013 nan 8.230 nan 0.000 0.453 290 P HA 0.107 nan 4.420 nan 0.000 0.272 290 P C 0.033 177.352 177.300 0.032 0.000 1.230 290 P CA -0.421 62.698 63.100 0.032 0.000 0.788 290 P CB 0.953 32.680 31.700 0.045 0.000 0.949 291 S N 0.674 116.386 115.700 0.019 0.000 2.499 291 S HA 0.119 4.589 4.470 0.001 0.000 0.225 291 S C 1.155 175.764 174.600 0.015 0.000 1.050 291 S CA -0.218 57.992 58.200 0.017 0.000 0.928 291 S CB -0.497 62.708 63.200 0.009 0.000 0.803 291 S HN 0.592 nan 8.310 nan 0.000 0.506 292 I N 0.500 121.078 120.570 0.012 0.000 2.428 292 I HA 0.587 4.758 4.170 0.001 0.000 0.296 292 I C -3.241 172.883 176.117 0.012 0.000 0.985 292 I CA -2.857 58.449 61.300 0.009 0.000 1.260 292 I CB 1.056 39.060 38.000 0.007 0.000 1.389 292 I HN -0.204 nan 8.210 nan 0.000 0.484 293 P HA 0.237 nan 4.420 nan 0.000 0.269 293 P C -0.951 176.355 177.300 0.010 0.000 1.215 293 P CA -0.118 62.980 63.100 -0.003 0.000 0.780 293 P CB 0.966 32.645 31.700 -0.034 0.000 0.898 294 V N 2.158 122.084 119.914 0.021 0.000 2.932 294 V HA 0.494 4.615 4.120 0.001 0.000 0.307 294 V C -1.010 175.145 176.094 0.101 0.000 1.147 294 V CA -0.378 61.947 62.300 0.041 0.000 0.951 294 V CB 2.126 33.961 31.823 0.019 0.000 1.031 294 V HN 0.626 nan 8.190 nan 0.000 0.426 295 H N 4.346 123.404 119.070 -0.021 0.000 3.029 295 H HA 0.688 5.244 4.556 0.001 0.000 0.358 295 H C -3.128 172.194 175.328 -0.010 0.000 1.129 295 H CA -1.514 54.532 56.048 -0.003 0.000 1.230 295 H CB 3.550 33.319 29.762 0.011 0.000 1.827 295 H HN 0.455 nan 8.280 nan 0.000 0.530 296 P HA 0.437 nan 4.420 nan 0.000 0.292 296 P C -0.876 176.283 177.300 -0.234 0.000 1.300 296 P CA -0.724 62.313 63.100 -0.104 0.000 0.900 296 P CB 2.081 33.813 31.700 0.054 0.000 1.139 297 I N -2.022 118.505 120.570 -0.071 0.000 2.969 297 I HA 0.773 4.943 4.170 0.001 0.000 0.307 297 I C 0.051 176.211 176.117 0.072 0.000 1.149 297 I CA -1.281 59.992 61.300 -0.044 0.000 1.008 297 I CB 2.105 40.085 38.000 -0.033 0.000 1.232 297 I HN 0.329 nan 8.210 nan 0.000 0.435 298 G N 1.587 110.402 108.800 0.025 0.000 2.621 298 G HA2 0.184 4.144 3.960 0.001 0.000 0.271 298 G HA3 0.184 4.144 3.960 0.001 0.000 0.271 298 G C 0.119 175.067 174.900 0.080 0.000 1.236 298 G CA -0.119 44.979 45.100 -0.003 0.000 0.958 298 G HN 0.902 nan 8.290 nan 0.000 0.512 299 Y N -2.351 118.005 120.300 0.093 0.000 2.395 299 Y HA 0.050 4.601 4.550 0.001 0.000 0.293 299 Y C 2.258 178.233 175.900 0.125 0.000 1.123 299 Y CA 0.446 58.623 58.100 0.129 0.000 1.227 299 Y CB -0.431 38.128 38.460 0.166 0.000 1.012 299 Y HN 0.337 nan 8.280 nan 0.000 0.552 300 Y N 1.754 122.036 120.300 -0.030 0.000 2.097 300 Y HA -0.218 4.333 4.550 0.001 0.000 0.282 300 Y C 2.002 177.892 175.900 -0.017 0.000 1.152 300 Y CA 1.094 59.189 58.100 -0.008 0.000 1.136 300 Y CB -1.051 37.370 38.460 -0.064 0.000 0.975 300 Y HN 0.250 nan 8.280 nan 0.000 0.498 301 D N -0.653 119.827 120.400 0.134 0.000 2.219 301 D HA -0.069 4.571 4.640 0.001 0.000 0.205 301 D C 2.189 178.493 176.300 0.007 0.000 0.970 301 D CA 1.179 55.214 54.000 0.058 0.000 0.851 301 D CB -0.389 40.436 40.800 0.040 0.000 0.943 301 D HN 0.307 nan 8.370 nan 0.000 0.488 302 A N 0.659 123.470 122.820 -0.015 0.000 2.014 302 A HA -0.082 4.239 4.320 0.001 0.000 0.218 302 A C 2.362 179.818 177.584 -0.212 0.000 1.163 302 A CA 1.967 53.890 52.037 -0.190 0.000 0.652 302 A CB -0.886 17.839 19.000 -0.459 0.000 0.808 302 A HN 0.256 nan 8.150 nan 0.000 0.449 303 Q N -0.010 119.736 119.800 -0.090 0.000 2.014 303 Q HA -0.270 4.071 4.340 0.001 0.000 0.207 303 Q C 2.278 178.207 176.000 -0.119 0.000 0.993 303 Q CA 2.714 58.459 55.803 -0.097 0.000 0.850 303 Q CB -1.192 nan 28.738 nan 0.000 0.916 303 Q HN 0.605 nan 8.270 nan 0.000 0.417 304 K N -0.521 119.834 120.400 -0.076 0.000 2.034 304 K HA -0.108 4.212 4.320 0.001 0.000 0.214 304 K C 2.674 179.216 176.600 -0.097 0.000 1.051 304 K CA 2.043 58.281 56.287 -0.083 0.000 0.931 304 K CB -1.894 30.577 32.500 -0.048 0.000 0.715 304 K HN 1.017 nan 8.250 nan 0.000 0.446 305 L N -0.148 121.034 121.223 -0.068 0.000 2.093 305 L HA 0.096 4.437 4.340 0.001 0.000 0.208 305 L C 2.726 179.583 176.870 -0.022 0.000 1.085 305 L CA 2.096 56.928 54.840 -0.013 0.000 0.755 305 L CB -1.416 nan 42.059 nan 0.000 0.904 305 L HN 0.299 nan 8.230 nan 0.000 0.435 306 L N -0.140 121.000 121.223 -0.139 0.000 2.446 306 L HA -0.002 4.338 4.340 0.001 0.000 0.219 306 L C 2.793 179.543 176.870 -0.201 0.000 1.116 306 L CA 1.157 55.884 54.840 -0.189 0.000 0.844 306 L CB -0.570 41.261 42.059 -0.380 0.000 0.970 306 L HN 0.943 nan 8.230 nan 0.000 0.457 307 E N 0.558 120.635 120.200 -0.206 0.000 2.072 307 E HA -0.202 4.149 4.350 0.001 0.000 0.191 307 E C 1.920 178.402 176.600 -0.198 0.000 0.985 307 E CA 1.490 57.768 56.400 -0.204 0.000 0.801 307 E CB -0.241 29.350 29.700 -0.183 0.000 0.750 307 E HN 0.521 nan 8.360 nan 0.000 0.452 308 K N 1.062 121.289 120.400 -0.288 0.000 2.630 308 K HA 0.378 4.699 4.320 0.001 0.000 0.204 308 K C 0.792 177.307 176.600 -0.142 0.000 1.024 308 K CA 0.904 56.952 56.287 -0.399 0.000 1.157 308 K CB -1.229 30.717 32.500 -0.922 0.000 0.899 308 K HN 0.401 nan 8.250 nan 0.000 0.501 309 M N 0.355 119.974 119.600 0.032 0.000 2.216 309 M HA 0.678 5.158 4.480 0.001 0.000 0.356 309 M C 1.082 177.457 176.300 0.126 0.000 1.205 309 M CA -0.176 55.246 55.300 0.205 0.000 1.122 309 M CB 0.455 nan 32.600 nan 0.000 1.571 309 M HN 0.457 nan 8.290 nan 0.000 0.464 310 G N 0.887 109.781 108.800 0.157 0.000 3.414 310 G HA2 0.773 4.733 3.960 0.001 0.000 0.196 310 G HA3 0.773 4.733 3.960 0.001 0.000 0.196 310 G C 0.949 175.895 174.900 0.078 0.000 1.486 310 G CA 0.398 45.558 45.100 0.100 0.000 0.811 310 G HN 2.313 nan 8.290 nan 0.000 0.704 311 G N -0.523 108.314 108.800 0.062 0.000 2.546 311 G HA2 0.247 4.208 3.960 0.001 0.000 0.346 311 G HA3 0.247 4.208 3.960 0.001 0.000 0.346 311 G C 0.810 175.736 174.900 0.044 0.000 1.334 311 G CA 0.913 46.042 45.100 0.048 0.000 0.925 311 G HN 1.933 nan 8.290 nan 0.000 0.537 312 S N -0.671 115.049 115.700 0.035 0.000 2.563 312 S HA 0.655 5.126 4.470 0.001 0.000 0.284 312 S C 0.895 175.514 174.600 0.032 0.000 1.331 312 S CA 1.170 59.381 58.200 0.019 0.000 1.047 312 S CB 0.130 63.327 63.200 -0.005 0.000 0.859 312 S HN 2.323 nan 8.310 nan 0.000 0.514 313 A N 3.135 125.965 122.820 0.017 0.000 2.296 313 A HA 0.706 5.027 4.320 0.001 0.000 0.264 313 A C -2.176 175.418 177.584 0.016 0.000 1.097 313 A CA -1.307 50.750 52.037 0.033 0.000 0.811 313 A CB -0.427 nan 19.000 nan 0.000 1.072 313 A HN 0.680 nan 8.150 nan 0.000 0.495 314 P HA 0.124 nan 4.420 nan 0.000 0.268 314 P C -1.930 175.312 177.300 -0.096 0.000 1.204 314 P CA -0.841 62.288 63.100 0.048 0.000 0.768 314 P CB 0.211 32.037 31.700 0.210 0.000 0.842 315 P HA -0.094 nan 4.420 nan 0.000 0.217 315 P C 0.131 177.346 177.300 -0.142 0.000 1.150 315 P CA 1.609 64.538 63.100 -0.285 0.000 0.832 315 P CB 0.298 31.691 31.700 -0.512 0.000 0.787 316 D N -3.001 117.354 120.400 -0.076 0.000 2.825 316 D HA 0.235 4.875 4.640 0.001 0.000 0.327 316 D C 0.830 177.188 176.300 0.097 0.000 1.277 316 D CA -0.148 53.868 54.000 0.026 0.000 0.950 316 D CB 0.044 40.863 40.800 0.032 0.000 1.438 316 D HN -0.071 nan 8.370 nan 0.000 0.526 317 S N -0.502 115.246 115.700 0.080 0.000 2.515 317 S HA -0.061 4.410 4.470 0.001 0.000 0.231 317 S C 1.616 176.264 174.600 0.079 0.000 0.987 317 S CA 1.620 59.861 58.200 0.069 0.000 0.936 317 S CB -0.594 nan 63.200 nan 0.000 0.766 317 S HN 0.519 nan 8.310 nan 0.000 0.528 318 S N -1.673 114.108 115.700 0.134 0.000 2.527 318 S HA 0.031 4.501 4.470 0.001 0.000 0.222 318 S C 0.949 175.634 174.600 0.141 0.000 0.985 318 S CA 0.043 58.329 58.200 0.142 0.000 0.921 318 S CB -0.495 62.815 63.200 0.184 0.000 0.772 318 S HN 0.680 nan 8.310 nan 0.000 0.529 319 W N 2.073 123.336 121.300 -0.061 0.000 3.239 319 W HA 0.500 5.160 4.660 0.001 0.000 0.348 319 W C 1.056 177.537 176.519 -0.063 0.000 1.183 319 W CA -0.404 56.902 57.345 -0.065 0.000 1.819 319 W CB 0.170 29.627 29.460 -0.004 0.000 1.091 319 W HN 0.341 nan 8.180 nan 0.000 0.629 320 R N 0.429 120.893 120.500 -0.059 0.000 2.534 320 R HA 0.763 5.103 4.340 0.001 0.000 0.301 320 R C 0.414 176.295 176.300 -0.698 0.000 0.961 320 R CA -0.085 55.725 56.100 -0.484 0.000 0.871 320 R CB 0.248 nan 30.300 nan 0.000 1.170 320 R HN 0.085 nan 8.270 nan 0.000 0.446 321 G N -0.224 107.682 108.800 -1.490 0.000 2.582 321 G HA2 0.352 4.312 3.960 0.001 0.000 0.232 321 G HA3 0.352 4.312 3.960 0.001 0.000 0.232 321 G C 0.946 175.768 174.900 -0.130 0.000 1.458 321 G CA 0.683 45.436 45.100 -0.578 0.000 1.062 321 G HN 1.431 nan 8.290 nan 0.000 0.566 322 S N -1.333 114.415 115.700 0.080 0.000 2.629 322 S HA 0.345 4.816 4.470 0.001 0.000 0.236 322 S C 0.552 175.201 174.600 0.082 0.000 1.010 322 S CA -0.510 57.735 58.200 0.076 0.000 0.981 322 S CB -0.324 62.876 63.200 0.001 0.000 0.919 322 S HN 0.291 nan 8.310 nan 0.000 0.514 323 L N 2.353 123.690 121.223 0.189 0.000 2.426 323 L HA 0.245 4.585 4.340 0.001 0.000 0.271 323 L C 0.408 177.286 176.870 0.014 0.000 1.169 323 L CA -0.588 54.283 54.840 0.051 0.000 0.836 323 L CB 0.555 42.609 42.059 -0.009 0.000 1.112 323 L HN 0.037 nan 8.230 nan 0.000 0.465 324 K N 3.401 123.776 120.400 -0.042 0.000 2.081 324 K HA 0.464 4.784 4.320 0.001 0.000 0.230 324 K C 0.009 176.539 176.600 -0.116 0.000 1.199 324 K CA -0.044 56.212 56.287 -0.051 0.000 1.130 324 K CB -0.795 31.678 32.500 -0.046 0.000 1.386 324 K HN 0.504 nan 8.250 nan 0.000 0.280 325 V N 1.175 120.985 119.914 -0.172 0.000 3.147 325 V HA 0.546 4.667 4.120 0.001 0.000 0.299 325 V C -1.938 174.000 176.094 -0.260 0.000 1.302 325 V CA -1.842 60.277 62.300 -0.301 0.000 1.015 325 V CB 2.368 33.858 31.823 -0.556 0.000 1.086 325 V HN 0.332 nan 8.190 nan 0.000 0.437 326 P HA -0.033 nan 4.420 nan 0.000 0.223 326 P C -0.001 177.317 177.300 0.031 0.000 1.151 326 P CA 0.967 64.035 63.100 -0.054 0.000 0.787 326 P CB -0.141 31.534 31.700 -0.042 0.000 0.788 327 Y N -1.479 118.756 120.300 -0.108 0.000 3.389 327 Y HA -0.184 4.367 4.550 0.001 0.000 0.213 327 Y C 0.201 176.102 175.900 0.002 0.000 1.272 327 Y CA -0.205 57.786 58.100 -0.182 0.000 1.444 327 Y CB -3.213 35.175 38.460 -0.119 0.000 1.445 327 Y HN 0.091 nan 8.280 nan 0.000 0.583 328 N N 1.086 119.831 118.700 0.075 0.000 2.452 328 N HA 0.336 5.077 4.740 0.001 0.000 0.266 328 N C 1.253 176.900 175.510 0.229 0.000 1.175 328 N CA 0.739 53.871 53.050 0.136 0.000 0.945 328 N CB 1.389 39.921 38.487 0.076 0.000 1.063 328 N HN 0.421 nan 8.380 nan 0.000 0.472 329 V N 1.881 121.967 119.914 0.288 0.000 3.186 329 V HA -0.044 4.077 4.120 0.001 0.000 0.270 329 V C 1.344 177.566 176.094 0.212 0.000 1.149 329 V CA 1.622 64.122 62.300 0.334 0.000 1.160 329 V CB -1.486 30.480 31.823 0.239 0.000 0.758 329 V HN 0.842 nan 8.190 nan 0.000 0.516 330 G N -0.655 108.235 108.800 0.150 0.000 2.598 330 G HA2 -0.172 3.788 3.960 0.001 0.000 0.244 330 G HA3 -0.172 3.788 3.960 0.001 0.000 0.244 330 G C -2.018 172.923 174.900 0.068 0.000 1.302 330 G CA -0.094 45.064 45.100 0.096 0.000 0.903 330 G HN 0.649 nan 8.290 nan 0.000 0.575 331 P HA 0.463 nan 4.420 nan 0.000 0.274 331 P C 1.051 178.342 177.300 -0.015 0.000 1.260 331 P CA 1.437 64.546 63.100 0.016 0.000 0.793 331 P CB -0.072 31.632 31.700 0.006 0.000 1.048 332 G N -1.305 107.437 108.800 -0.096 0.000 2.726 332 G HA2 -0.238 3.723 3.960 0.001 0.000 0.261 332 G HA3 -0.238 3.723 3.960 0.001 0.000 0.261 332 G C -0.365 174.452 174.900 -0.139 0.000 1.352 332 G CA -0.506 44.476 45.100 -0.196 0.000 0.906 332 G HN 0.377 nan 8.290 nan 0.000 0.566 343 K N 4.511 124.944 120.400 0.055 0.000 2.426 343 K HA 0.799 5.119 4.320 0.001 0.000 0.254 343 K C -0.875 175.730 176.600 0.009 0.000 0.936 343 K CA -0.759 55.545 56.287 0.028 0.000 0.801 343 K CB 1.782 34.303 32.500 0.036 0.000 1.139 343 K HN 0.774 nan 8.250 nan 0.000 0.424 344 M N 1.745 121.320 119.600 -0.041 0.000 2.342 344 M HA 0.190 4.671 4.480 0.001 0.000 0.332 344 M C -0.551 175.600 176.300 -0.249 0.000 1.166 344 M CA -0.697 54.544 55.300 -0.097 0.000 1.086 344 M CB 1.658 34.217 32.600 -0.069 0.000 1.541 344 M HN 0.504 nan 8.290 nan 0.000 0.462 345 H N 2.616 121.429 119.070 -0.429 0.000 3.092 345 H HA 0.600 5.156 4.556 0.001 0.000 0.308 345 H C -0.962 173.837 175.328 -0.881 0.000 1.047 345 H CA -0.921 54.692 56.048 -0.724 0.000 1.466 345 H CB 0.790 29.956 29.762 -0.993 0.000 1.597 345 H HN 0.537 nan 8.280 nan 0.000 0.512 346 I N 1.369 121.309 120.570 -1.049 0.000 2.722 346 I HA 0.351 4.522 4.170 0.001 0.000 0.292 346 I C 0.516 176.400 176.117 -0.388 0.000 1.267 346 I CA -0.492 60.436 61.300 -0.620 0.000 1.036 346 I CB 1.764 39.580 38.000 -0.307 0.000 1.281 346 I HN 0.966 nan 8.210 nan 0.000 0.423 347 H N 0.660 119.684 119.070 -0.076 0.000 1.966 347 H HA -0.066 4.490 4.556 0.001 0.000 0.115 347 H C 0.382 175.670 175.328 -0.066 0.000 0.627 347 H CA -0.063 55.939 56.048 -0.076 0.000 0.447 347 H CB -0.380 29.323 29.762 -0.099 0.000 0.318 347 H HN 0.524 nan 8.280 nan 0.000 0.253 348 S N 2.722 118.446 115.700 0.040 0.000 2.549 348 S HA 0.255 4.726 4.470 0.001 0.000 0.283 348 S C 0.685 175.302 174.600 0.028 0.000 1.320 348 S CA 0.358 58.561 58.200 0.005 0.000 1.058 348 S CB 1.151 64.365 63.200 0.023 0.000 0.882 348 S HN 0.381 nan 8.310 nan 0.000 0.498 349 T N 1.275 115.841 114.554 0.021 0.000 2.902 349 T HA 0.436 4.787 4.350 0.001 0.000 0.283 349 T C -0.408 174.304 174.700 0.019 0.000 1.009 349 T CA -1.157 60.961 62.100 0.031 0.000 1.051 349 T CB 0.554 69.441 68.868 0.033 0.000 0.999 349 T HN 0.413 nan 8.240 nan 0.000 0.474 350 N N 2.513 121.233 118.700 0.033 0.000 2.479 350 N HA 0.375 5.115 4.740 0.001 0.000 0.285 350 N C -0.381 175.143 175.510 0.024 0.000 1.075 350 N CA -0.571 52.496 53.050 0.029 0.000 0.967 350 N CB 1.286 39.841 38.487 0.113 0.000 1.137 350 N HN 0.886 nan 8.380 nan 0.000 0.472 351 E N -0.794 119.406 120.200 -0.001 0.000 2.335 351 E HA 0.269 4.620 4.350 0.001 0.000 0.280 351 E C -1.134 175.460 176.600 -0.010 0.000 0.918 351 E CA -0.928 55.479 56.400 0.012 0.000 0.765 351 E CB 1.054 30.779 29.700 0.043 0.000 1.218 351 E HN 0.004 nan 8.360 nan 0.000 0.425 352 V N 2.467 122.372 119.914 -0.015 0.000 2.493 352 V HA 0.150 4.271 4.120 0.001 0.000 0.292 352 V C -0.205 175.866 176.094 -0.039 0.000 1.016 352 V CA 0.730 63.010 62.300 -0.034 0.000 1.097 352 V CB 0.395 32.192 31.823 -0.044 0.000 0.947 352 V HN 0.785 nan 8.190 nan 0.000 0.479 353 T N 5.456 119.977 114.554 -0.055 0.000 2.952 353 T HA 0.404 4.754 4.350 0.001 0.000 0.305 353 T C -0.296 174.347 174.700 -0.095 0.000 1.064 353 T CA -0.779 61.289 62.100 -0.054 0.000 1.008 353 T CB 1.605 70.464 68.868 -0.015 0.000 1.078 353 T HN 0.698 nan 8.240 nan 0.000 0.459 354 R N 2.891 123.311 120.500 -0.132 0.000 2.438 354 R HA 0.574 4.915 4.340 0.001 0.000 0.287 354 R C -0.066 176.080 176.300 -0.256 0.000 1.077 354 R CA -0.350 55.598 56.100 -0.253 0.000 1.034 354 R CB 0.144 30.221 30.300 -0.371 0.000 0.993 354 R HN 0.728 nan 8.270 nan 0.000 0.459 355 I N 0.477 120.878 120.570 -0.282 0.000 2.846 355 I HA 0.488 4.658 4.170 0.001 0.000 0.307 355 I C -1.500 174.458 176.117 -0.266 0.000 1.053 355 I CA -1.296 59.929 61.300 -0.124 0.000 1.050 355 I CB 2.045 40.066 38.000 0.035 0.000 1.239 355 I HN 0.537 nan 8.210 nan 0.000 0.439 356 Y N 2.137 122.558 120.300 0.201 0.000 2.329 356 Y HA 0.457 5.008 4.550 0.001 0.000 0.328 356 Y C -0.398 175.610 175.900 0.181 0.000 0.992 356 Y CA -0.783 57.445 58.100 0.214 0.000 1.151 356 Y CB 1.485 40.089 38.460 0.239 0.000 1.150 356 Y HN 0.509 nan 8.280 nan 0.000 0.450 357 N N 1.704 120.606 118.700 0.336 0.000 2.508 357 N HA 0.526 5.266 4.740 0.001 0.000 0.285 357 N C -1.086 174.481 175.510 0.095 0.000 1.144 357 N CA -0.518 52.678 53.050 0.244 0.000 0.978 357 N CB 2.213 40.915 38.487 0.358 0.000 1.180 357 N HN 0.268 nan 8.380 nan 0.000 0.484 358 V N 2.688 122.565 119.914 -0.063 0.000 2.384 358 V HA 0.407 4.527 4.120 0.001 0.000 0.287 358 V C -0.184 175.875 176.094 -0.058 0.000 1.020 358 V CA -0.698 61.533 62.300 -0.115 0.000 0.850 358 V CB 1.302 32.909 31.823 -0.360 0.000 0.987 358 V HN 0.430 nan 8.190 nan 0.000 0.436 359 I N 4.552 125.132 120.570 0.017 0.000 2.382 359 I HA 0.522 4.692 4.170 0.001 0.000 0.285 359 I C 0.722 176.935 176.117 0.160 0.000 1.007 359 I CA -0.038 61.262 61.300 0.000 0.000 1.142 359 I CB 1.293 39.245 38.000 -0.079 0.000 1.289 359 I HN 0.676 nan 8.210 nan 0.000 0.453 360 G N 4.270 113.212 108.800 0.236 0.000 2.389 360 G HA2 0.636 4.597 3.960 0.001 0.000 0.317 360 G HA3 0.636 4.597 3.960 0.001 0.000 0.317 360 G C -0.642 174.312 174.900 0.090 0.000 1.137 360 G CA -0.184 45.039 45.100 0.205 0.000 0.870 360 G HN 0.475 nan 8.290 nan 0.000 0.496 361 T N 1.178 115.778 114.554 0.077 0.000 2.848 361 T HA 0.391 4.742 4.350 0.001 0.000 0.285 361 T C -1.041 173.678 174.700 0.031 0.000 0.995 361 T CA -0.327 61.777 62.100 0.006 0.000 0.970 361 T CB 1.600 70.468 68.868 -0.001 0.000 0.976 361 T HN 0.368 nan 8.240 nan 0.000 0.441 362 L N 3.610 124.821 121.223 -0.019 0.000 2.384 362 L HA 0.487 4.827 4.340 0.001 0.000 0.261 362 L C 0.383 177.199 176.870 -0.090 0.000 1.024 362 L CA -0.598 54.231 54.840 -0.018 0.000 0.899 362 L CB 0.682 42.758 42.059 0.027 0.000 1.243 362 L HN 0.462 nan 8.230 nan 0.000 0.449 363 R N 2.580 123.045 120.500 -0.058 0.000 2.504 363 R HA 0.442 4.782 4.340 0.001 0.000 0.291 363 R C 0.685 176.914 176.300 -0.118 0.000 0.974 363 R CA 0.533 56.597 56.100 -0.060 0.000 1.077 363 R CB -0.436 29.846 30.300 -0.029 0.000 0.926 363 R HN 0.963 nan 8.270 nan 0.000 0.407 364 G N 1.529 110.257 108.800 -0.119 0.000 2.539 364 G HA2 0.450 4.410 3.960 0.001 0.000 0.258 364 G HA3 0.450 4.410 3.960 0.001 0.000 0.258 364 G C 0.959 175.766 174.900 -0.155 0.000 1.202 364 G CA -0.057 44.937 45.100 -0.177 0.000 0.851 364 G HN 0.960 nan 8.290 nan 0.000 0.556 365 A N 0.209 122.913 122.820 -0.194 0.000 1.924 365 A HA 0.259 4.579 4.320 0.001 0.000 0.211 365 A C 2.136 179.653 177.584 -0.110 0.000 1.198 365 A CA 1.356 53.298 52.037 -0.158 0.000 0.657 365 A CB -0.045 18.832 19.000 -0.206 0.000 0.852 365 A HN 0.531 nan 8.150 nan 0.000 0.454 366 V N -0.479 119.367 119.914 -0.113 0.000 2.922 366 V HA 0.099 4.220 4.120 0.001 0.000 0.242 366 V C 0.694 176.746 176.094 -0.071 0.000 1.094 366 V CA 0.818 63.070 62.300 -0.080 0.000 1.106 366 V CB -0.159 31.618 31.823 -0.076 0.000 0.799 366 V HN 0.499 nan 8.190 nan 0.000 0.474 367 E N 0.977 121.125 120.200 -0.086 0.000 3.568 367 E HA 0.204 4.554 4.350 0.001 0.000 0.213 367 E C -2.044 174.508 176.600 -0.079 0.000 1.197 367 E CA -1.416 54.936 56.400 -0.081 0.000 1.126 367 E CB 1.272 30.917 29.700 -0.091 0.000 1.285 367 E HN 0.368 nan 8.360 nan 0.000 0.418 368 P HA -0.133 nan 4.420 nan 0.000 0.230 368 P C 0.423 177.734 177.300 0.017 0.000 1.158 368 P CA 0.998 64.090 63.100 -0.013 0.000 0.769 368 P CB 0.191 31.889 31.700 -0.003 0.000 0.807 369 D N -1.170 119.181 120.400 -0.082 0.000 2.427 369 D HA 0.040 4.681 4.640 0.001 0.000 0.224 369 D C 0.231 176.263 176.300 -0.447 0.000 1.157 369 D CA -0.204 53.666 54.000 -0.217 0.000 0.828 369 D CB 0.045 40.769 40.800 -0.126 0.000 0.974 369 D HN -0.022 nan 8.370 nan 0.000 0.498 370 R N 0.866 121.151 120.500 -0.358 0.000 2.476 370 R HA 0.289 4.630 4.340 0.001 0.000 0.305 370 R C -1.342 174.870 176.300 -0.146 0.000 0.965 370 R CA -0.645 55.262 56.100 -0.322 0.000 0.867 370 R CB 1.294 31.485 30.300 -0.181 0.000 1.176 370 R HN 0.013 nan 8.270 nan 0.000 0.447 371 Y N 1.129 121.411 120.300 -0.031 0.000 2.335 371 Y HA 0.378 4.928 4.550 0.001 0.000 0.338 371 Y C 0.427 176.297 175.900 -0.050 0.000 0.977 371 Y CA -1.112 56.967 58.100 -0.035 0.000 1.114 371 Y CB 1.723 40.209 38.460 0.043 0.000 1.182 371 Y HN 0.111 nan 8.280 nan 0.000 0.463 372 V N 5.748 125.685 119.914 0.038 0.000 2.398 372 V HA 0.457 4.577 4.120 0.001 0.000 0.286 372 V C -0.163 175.828 176.094 -0.172 0.000 1.026 372 V CA -0.795 61.468 62.300 -0.062 0.000 0.868 372 V CB 1.515 33.253 31.823 -0.142 0.000 0.982 372 V HN 0.557 nan 8.190 nan 0.000 0.443 373 I N 5.638 126.123 120.570 -0.142 0.000 2.389 373 I HA 0.411 4.582 4.170 0.001 0.000 0.288 373 I C -0.726 175.153 176.117 -0.397 0.000 0.999 373 I CA -0.560 60.598 61.300 -0.238 0.000 1.129 373 I CB 1.754 39.742 38.000 -0.021 0.000 1.288 373 I HN 0.400 nan 8.210 nan 0.000 0.444 374 L N 6.761 127.725 121.223 -0.431 0.000 2.280 374 L HA 0.854 5.195 4.340 0.001 0.000 0.287 374 L C -0.041 176.666 176.870 -0.271 0.000 1.023 374 L CA 0.182 54.826 54.840 -0.326 0.000 0.819 374 L CB 1.033 43.032 42.059 -0.101 0.000 1.212 374 L HN 0.634 nan 8.230 nan 0.000 0.420 375 G N 2.569 111.185 108.800 -0.308 0.000 2.638 375 G HA2 0.742 4.702 3.960 0.001 0.000 0.302 375 G HA3 0.742 4.702 3.960 0.001 0.000 0.302 375 G C -1.072 173.893 174.900 0.108 0.000 1.365 375 G CA -0.240 44.791 45.100 -0.115 0.000 0.987 375 G HN 0.945 nan 8.290 nan 0.000 0.495 376 G N 0.320 109.131 108.800 0.018 0.000 2.677 376 G HA2 0.606 4.567 3.960 0.001 0.000 0.291 376 G HA3 0.606 4.567 3.960 0.001 0.000 0.291 376 G C -1.080 173.961 174.900 0.236 0.000 1.435 376 G CA -0.794 44.431 45.100 0.207 0.000 0.826 376 G HN 1.162 nan 8.290 nan 0.000 0.491 377 H N -0.966 118.292 119.070 0.313 0.000 2.547 377 H HA 0.634 5.191 4.556 0.001 0.000 0.362 377 H C 0.968 176.347 175.328 0.085 0.000 1.181 377 H CA -0.988 55.207 56.048 0.245 0.000 1.376 377 H CB 1.433 31.340 29.762 0.241 0.000 1.488 377 H HN 0.575 nan 8.280 nan 0.000 0.583 378 R N 0.252 120.881 120.500 0.216 0.000 2.257 378 R HA 0.016 4.356 4.340 0.001 0.000 0.195 378 R C -0.358 175.900 176.300 -0.069 0.000 0.921 378 R CA 0.117 56.206 56.100 -0.018 0.000 1.069 378 R CB 0.278 30.490 30.300 -0.147 0.000 1.115 378 R HN 0.932 nan 8.270 nan 0.000 0.571 379 D N 1.642 121.978 120.400 -0.107 0.000 2.443 379 D HA -0.011 4.629 4.640 0.001 0.000 0.239 379 D C -0.603 175.510 176.300 -0.312 0.000 1.136 379 D CA 0.242 54.142 54.000 -0.167 0.000 0.879 379 D CB 1.402 42.117 40.800 -0.141 0.000 1.195 379 D HN 0.198 nan 8.370 nan 0.000 0.443 380 S N 0.794 116.372 115.700 -0.204 0.000 2.632 380 S HA 0.344 4.815 4.470 0.001 0.000 0.289 380 S C 0.386 174.820 174.600 -0.276 0.000 1.115 380 S CA -1.052 57.034 58.200 -0.190 0.000 0.889 380 S CB 1.083 64.307 63.200 0.039 0.000 1.116 380 S HN 0.694 nan 8.310 nan 0.000 0.486 381 W N 0.419 121.644 121.300 -0.127 0.000 2.407 381 W HA 0.104 4.764 4.660 0.001 0.000 0.305 381 W C 1.472 177.913 176.519 -0.130 0.000 1.196 381 W CA 1.002 58.241 57.345 -0.178 0.000 1.311 381 W CB -0.024 29.242 29.460 -0.323 0.000 1.135 381 W HN 0.518 nan 8.180 nan 0.000 0.514 382 V N -2.538 117.425 119.914 0.081 0.000 5.486 382 V HA 0.108 4.228 4.120 0.001 0.000 0.127 382 V C 0.707 176.641 176.094 -0.267 0.000 0.885 382 V CA -0.169 62.015 62.300 -0.194 0.000 1.394 382 V CB -0.695 30.982 31.823 -0.243 0.000 2.448 382 V HN -0.195 nan 8.190 nan 0.000 0.355 383 F N 1.582 121.566 119.950 0.056 0.000 2.569 383 F HA 0.448 4.975 4.527 0.001 0.000 0.295 383 F C 1.812 177.709 175.800 0.162 0.000 1.115 383 F CA 0.843 58.896 58.000 0.088 0.000 1.450 383 F CB -0.567 38.459 39.000 0.044 0.000 1.107 383 F HN 0.559 nan 8.300 nan 0.000 0.563 384 G N 0.801 109.782 108.800 0.302 0.000 2.338 384 G HA2 -0.240 3.721 3.960 0.001 0.000 0.296 384 G HA3 -0.240 3.721 3.960 0.001 0.000 0.296 384 G C 1.306 176.388 174.900 0.304 0.000 1.040 384 G CA 0.249 45.520 45.100 0.284 0.000 1.004 384 G HN 0.664 nan 8.290 nan 0.000 0.509 385 G N -0.570 108.403 108.800 0.289 0.000 2.402 385 G HA2 0.020 3.980 3.960 0.001 0.000 0.216 385 G HA3 0.020 3.980 3.960 0.001 0.000 0.216 385 G C 1.691 176.713 174.900 0.202 0.000 1.162 385 G CA 1.324 46.584 45.100 0.268 0.000 0.777 385 G HN 0.606 nan 8.290 nan 0.000 0.539 386 I N -0.229 120.416 120.570 0.125 0.000 2.522 386 I HA 0.096 4.267 4.170 0.001 0.000 0.240 386 I C 0.296 176.507 176.117 0.156 0.000 1.078 386 I CA 0.224 61.535 61.300 0.017 0.000 1.422 386 I CB 0.123 37.942 38.000 -0.302 0.000 1.188 386 I HN -0.000 nan 8.210 nan 0.000 0.442 387 D N 2.528 123.099 120.400 0.284 0.000 2.428 387 D HA 0.148 4.788 4.640 0.001 0.000 0.221 387 D C -1.992 174.539 176.300 0.385 0.000 1.123 387 D CA -2.247 51.985 54.000 0.388 0.000 0.869 387 D CB 1.217 42.332 40.800 0.524 0.000 1.032 387 D HN 0.060 nan 8.370 nan 0.000 0.506 388 P HA 0.076 nan 4.420 nan 0.000 0.291 388 P C 0.724 178.185 177.300 0.269 0.000 1.388 388 P CA -0.047 63.276 63.100 0.372 0.000 1.061 388 P CB 0.799 32.824 31.700 0.542 0.000 1.534 389 Q N 0.618 120.588 119.800 0.283 0.000 2.291 389 Q HA -0.080 4.260 4.340 0.001 0.000 0.206 389 Q C 2.031 178.239 176.000 0.347 0.000 0.976 389 Q CA 1.675 57.681 55.803 0.338 0.000 0.875 389 Q CB -1.003 27.985 28.738 0.418 0.000 0.927 389 Q HN 0.413 nan 8.270 nan 0.000 0.450 390 S N -0.139 115.718 115.700 0.263 0.000 2.402 390 S HA -0.071 4.400 4.470 0.001 0.000 0.229 390 S C 2.003 176.621 174.600 0.030 0.000 1.021 390 S CA 1.109 59.412 58.200 0.171 0.000 0.974 390 S CB -0.445 62.816 63.200 0.102 0.000 0.800 390 S HN 0.394 nan 8.310 nan 0.000 0.484 391 G N 1.306 110.157 108.800 0.086 0.000 2.404 391 G HA2 0.145 4.106 3.960 0.001 0.000 0.214 391 G HA3 0.145 4.106 3.960 0.001 0.000 0.214 391 G C 1.736 176.731 174.900 0.158 0.000 1.189 391 G CA 0.664 45.815 45.100 0.085 0.000 0.789 391 G HN 0.786 nan 8.290 nan 0.000 0.533 392 A N 1.047 123.990 122.820 0.204 0.000 1.972 392 A HA 0.300 4.620 4.320 0.001 0.000 0.219 392 A C 2.740 180.572 177.584 0.414 0.000 1.169 392 A CA 2.129 54.302 52.037 0.227 0.000 0.635 392 A CB -0.608 18.433 19.000 0.068 0.000 0.810 392 A HN 0.732 nan 8.150 nan 0.000 0.446 393 A N -0.618 122.493 122.820 0.485 0.000 1.930 393 A HA 0.059 4.379 4.320 0.001 0.000 0.217 393 A C 2.177 180.016 177.584 0.424 0.000 1.175 393 A CA 1.569 53.900 52.037 0.491 0.000 0.627 393 A CB -0.762 18.485 19.000 0.413 0.000 0.815 393 A HN 0.349 nan 8.150 nan 0.000 0.443 394 V N -0.323 119.765 119.914 0.289 0.000 2.343 394 V HA -0.219 3.902 4.120 0.001 0.000 0.247 394 V C 2.558 178.799 176.094 0.246 0.000 1.051 394 V CA 1.971 64.403 62.300 0.221 0.000 1.036 394 V CB -0.651 31.241 31.823 0.114 0.000 0.654 394 V HN 0.376 nan 8.190 nan 0.000 0.451 395 V N -0.704 119.371 119.914 0.268 0.000 2.358 395 V HA -0.287 3.834 4.120 0.001 0.000 0.246 395 V C 2.298 178.591 176.094 0.332 0.000 1.047 395 V CA 2.209 64.674 62.300 0.275 0.000 1.035 395 V CB -0.896 31.098 31.823 0.284 0.000 0.658 395 V HN 0.650 nan 8.190 nan 0.000 0.452 396 H N -0.561 118.679 119.070 0.284 0.000 2.387 396 H HA -0.212 4.345 4.556 0.001 0.000 0.299 396 H C 2.465 177.875 175.328 0.135 0.000 1.090 396 H CA 1.731 57.932 56.048 0.255 0.000 1.332 396 H CB 0.446 30.192 29.762 -0.026 0.000 1.386 396 H HN 0.473 nan 8.280 nan 0.000 0.516 397 E N 0.978 121.353 120.200 0.292 0.000 2.046 397 E HA -0.090 4.260 4.350 0.001 0.000 0.190 397 E C 2.257 178.864 176.600 0.011 0.000 0.982 397 E CA 0.832 57.347 56.400 0.192 0.000 0.800 397 E CB -0.334 29.511 29.700 0.242 0.000 0.756 397 E HN 0.449 nan 8.360 nan 0.000 0.449 398 I N 0.056 120.675 120.570 0.082 0.000 2.113 398 I HA -0.365 3.805 4.170 0.001 0.000 0.242 398 I C 2.282 178.470 176.117 0.118 0.000 1.057 398 I CA 1.438 62.832 61.300 0.157 0.000 1.314 398 I CB -0.460 37.723 38.000 0.304 0.000 1.022 398 I HN 0.076 nan 8.210 nan 0.000 0.408 399 V N 0.539 120.377 119.914 -0.126 0.000 2.287 399 V HA -0.328 3.793 4.120 0.001 0.000 0.248 399 V C 2.621 178.592 176.094 -0.205 0.000 1.053 399 V CA 2.199 64.224 62.300 -0.458 0.000 1.027 399 V CB -0.826 30.495 31.823 -0.836 0.000 0.646 399 V HN 0.424 nan 8.190 nan 0.000 0.447 400 R N -0.072 120.229 120.500 -0.332 0.000 2.096 400 R HA -0.215 4.126 4.340 0.001 0.000 0.240 400 R C 2.632 178.754 176.300 -0.297 0.000 1.139 400 R CA 2.065 57.756 56.100 -0.682 0.000 0.952 400 R CB -0.484 29.212 30.300 -1.006 0.000 0.854 400 R HN 0.511 nan 8.270 nan 0.000 0.436 401 S N -0.597 114.984 115.700 -0.199 0.000 2.383 401 S HA -0.104 4.366 4.470 0.001 0.000 0.227 401 S C 1.730 176.329 174.600 -0.002 0.000 1.026 401 S CA 0.917 59.016 58.200 -0.168 0.000 0.981 401 S CB -0.259 62.742 63.200 -0.332 0.000 0.818 401 S HN 0.366 nan 8.310 nan 0.000 0.472 402 F N 1.899 121.960 119.950 0.186 0.000 2.146 402 F HA 0.174 4.702 4.527 0.001 0.000 0.298 402 F C 2.646 178.550 175.800 0.174 0.000 1.096 402 F CA 1.019 59.159 58.000 0.233 0.000 1.275 402 F CB -1.095 38.042 39.000 0.228 0.000 1.008 402 F HN 0.358 nan 8.300 nan 0.000 0.480 403 G N -1.696 107.255 108.800 0.252 0.000 2.471 403 G HA2 -0.164 3.797 3.960 0.001 0.000 0.219 403 G HA3 -0.164 3.797 3.960 0.001 0.000 0.219 403 G C 1.736 176.723 174.900 0.144 0.000 1.125 403 G CA 1.334 46.545 45.100 0.185 0.000 0.775 403 G HN 0.286 nan 8.290 nan 0.000 0.548 404 T N 1.247 115.849 114.554 0.080 0.000 2.732 404 T HA 0.003 4.354 4.350 0.001 0.000 0.261 404 T C 2.430 177.179 174.700 0.082 0.000 1.040 404 T CA 0.652 62.773 62.100 0.034 0.000 1.145 404 T CB -0.212 68.626 68.868 -0.050 0.000 0.866 404 T HN 0.132 nan 8.240 nan 0.000 0.427 405 L N 1.154 122.437 121.223 0.100 0.000 2.081 405 L HA -0.151 4.189 4.340 0.001 0.000 0.212 405 L C 2.799 179.875 176.870 0.343 0.000 1.080 405 L CA 1.458 56.378 54.840 0.134 0.000 0.754 405 L CB -0.752 41.280 42.059 -0.046 0.000 0.893 405 L HN 0.235 nan 8.230 nan 0.000 0.433 406 K N 1.363 122.004 120.400 0.401 0.000 2.057 406 K HA -0.205 4.116 4.320 0.001 0.000 0.207 406 K C 2.042 178.773 176.600 0.219 0.000 1.049 406 K CA 1.561 58.061 56.287 0.355 0.000 0.931 406 K CB 0.009 32.678 32.500 0.282 0.000 0.714 406 K HN 0.224 nan 8.250 nan 0.000 0.440 407 K N 0.756 121.256 120.400 0.166 0.000 2.147 407 K HA -0.110 4.210 4.320 0.001 0.000 0.205 407 K C 1.226 177.888 176.600 0.104 0.000 1.049 407 K CA 1.323 57.679 56.287 0.114 0.000 0.936 407 K CB 0.047 32.600 32.500 0.088 0.000 0.722 407 K HN 0.271 nan 8.250 nan 0.000 0.446 408 E N -0.185 120.085 120.200 0.117 0.000 2.335 408 E HA 0.031 4.382 4.350 0.001 0.000 0.191 408 E C 0.544 177.229 176.600 0.142 0.000 1.150 408 E CA 0.186 56.651 56.400 0.107 0.000 1.001 408 E CB 0.103 29.856 29.700 0.088 0.000 1.127 408 E HN 0.455 nan 8.360 nan 0.000 0.462 409 G N 1.294 110.182 108.800 0.147 0.000 2.168 409 G HA2 -0.301 3.659 3.960 0.001 0.000 0.263 409 G HA3 -0.301 3.659 3.960 0.001 0.000 0.263 409 G C -0.167 174.856 174.900 0.204 0.000 0.977 409 G CA 0.434 45.620 45.100 0.142 0.000 0.659 409 G HN 0.498 nan 8.290 nan 0.000 0.533 410 W N 0.806 122.143 121.300 0.061 0.000 2.303 410 W HA 0.771 5.431 4.660 0.001 0.000 0.334 410 W C 0.399 176.957 176.519 0.064 0.000 1.197 410 W CA -0.940 56.447 57.345 0.070 0.000 1.262 410 W CB 0.712 30.233 29.460 0.101 0.000 1.153 410 W HN 0.139 nan 8.180 nan 0.000 0.596 411 R N 4.420 124.372 120.500 -0.912 0.000 2.725 411 R HA 0.398 4.739 4.340 0.001 0.000 0.277 411 R C -2.393 172.832 176.300 -1.792 0.000 0.987 411 R CA -1.907 53.523 56.100 -1.117 0.000 0.901 411 R CB 2.228 32.220 30.300 -0.513 0.000 1.207 411 R HN 0.256 nan 8.270 nan 0.000 0.463 412 P HA 0.084 nan 4.420 nan 0.000 0.274 412 P C -0.254 176.734 177.300 -0.520 0.000 1.237 412 P CA -0.276 62.280 63.100 -0.906 0.000 0.793 412 P CB 0.981 32.338 31.700 -0.572 0.000 0.977 413 R N 1.722 122.010 120.500 -0.354 0.000 2.070 413 R HA -0.080 4.260 4.340 0.001 0.000 0.233 413 R C 0.601 176.779 176.300 -0.204 0.000 1.137 413 R CA 1.223 57.182 56.100 -0.235 0.000 0.945 413 R CB 0.063 30.266 30.300 -0.163 0.000 0.845 413 R HN 0.470 nan 8.270 nan 0.000 0.430 414 R N 0.074 120.450 120.500 -0.206 0.000 2.573 414 R HA 0.222 4.563 4.340 0.001 0.000 0.272 414 R C -0.527 175.673 176.300 -0.168 0.000 1.009 414 R CA -0.569 55.435 56.100 -0.160 0.000 1.059 414 R CB 1.497 31.711 30.300 -0.143 0.000 1.112 414 R HN -0.005 nan 8.270 nan 0.000 0.517 415 T N 2.310 116.817 114.554 -0.080 0.000 2.888 415 T HA 0.172 4.523 4.350 0.001 0.000 0.301 415 T C 0.327 174.942 174.700 -0.142 0.000 1.001 415 T CA 0.268 62.333 62.100 -0.059 0.000 1.147 415 T CB 0.102 69.048 68.868 0.130 0.000 0.931 415 T HN 0.249 nan 8.240 nan 0.000 0.541 416 I N 4.256 124.642 120.570 -0.307 0.000 2.354 416 I HA 0.371 4.541 4.170 0.001 0.000 0.292 416 I C -0.123 175.608 176.117 -0.643 0.000 0.989 416 I CA -0.643 60.326 61.300 -0.553 0.000 1.188 416 I CB 1.151 38.641 38.000 -0.849 0.000 1.342 416 I HN 0.311 nan 8.210 nan 0.000 0.457 417 L N 6.128 126.979 121.223 -0.619 0.000 2.309 417 L HA 0.541 4.881 4.340 0.001 0.000 0.282 417 L C -1.037 175.376 176.870 -0.762 0.000 1.036 417 L CA -0.520 54.002 54.840 -0.531 0.000 0.806 417 L CB 1.185 43.056 42.059 -0.313 0.000 1.220 417 L HN 0.391 nan 8.230 nan 0.000 0.429 418 F N 1.473 121.219 119.950 -0.340 0.000 2.507 418 F HA 0.710 5.238 4.527 0.001 0.000 0.325 418 F C 0.239 175.847 175.800 -0.321 0.000 1.116 418 F CA -0.571 57.172 58.000 -0.429 0.000 0.930 418 F CB 2.018 40.535 39.000 -0.805 0.000 1.146 418 F HN 0.415 nan 8.300 nan 0.000 0.447 419 A N 1.472 124.162 122.820 -0.216 0.000 2.414 419 A HA 0.676 4.997 4.320 0.001 0.000 0.306 419 A C -0.859 176.451 177.584 -0.456 0.000 1.054 419 A CA -0.721 50.960 52.037 -0.593 0.000 0.724 419 A CB 1.659 19.633 19.000 -1.711 0.000 1.267 419 A HN 0.590 nan 8.150 nan 0.000 0.418 420 S N 2.331 117.803 115.700 -0.380 0.000 2.516 420 S HA 0.473 4.944 4.470 0.001 0.000 0.268 420 S C -0.814 173.690 174.600 -0.161 0.000 1.251 420 S CA -0.448 57.587 58.200 -0.276 0.000 1.153 420 S CB -0.323 62.664 63.200 -0.355 0.000 1.009 420 S HN 0.528 nan 8.310 nan 0.000 0.479 421 W N 2.673 124.029 121.300 0.094 0.000 2.150 421 W HA 0.378 5.038 4.660 0.001 0.000 0.341 421 W C 0.780 177.361 176.519 0.104 0.000 1.276 421 W CA -0.688 56.723 57.345 0.110 0.000 1.238 421 W CB 0.446 30.004 29.460 0.164 0.000 1.128 421 W HN 0.469 nan 8.180 nan 0.000 0.581 422 D N 0.023 120.657 120.400 0.389 0.000 2.340 422 D HA 0.392 5.033 4.640 0.001 0.000 0.243 422 D C 0.196 176.601 176.300 0.175 0.000 0.988 422 D CA 0.059 54.195 54.000 0.227 0.000 0.959 422 D CB 1.677 42.605 40.800 0.214 0.000 1.226 422 D HN 0.534 nan 8.370 nan 0.000 0.509 423 A N 1.598 124.485 122.820 0.111 0.000 2.783 423 A HA -0.226 4.095 4.320 0.001 0.000 0.292 423 A C 1.455 179.122 177.584 0.139 0.000 1.495 423 A CA 1.387 53.502 52.037 0.131 0.000 0.787 423 A CB -1.725 17.313 19.000 0.065 0.000 1.017 423 A HN 0.620 nan 8.150 nan 0.000 0.516 424 E N 0.085 120.340 120.200 0.091 0.000 2.106 424 E HA -0.181 4.170 4.350 0.001 0.000 0.192 424 E C 1.479 178.120 176.600 0.068 0.000 0.984 424 E CA 1.402 57.884 56.400 0.137 0.000 0.806 424 E CB -0.069 29.890 29.700 0.432 0.000 0.750 424 E HN 0.770 nan 8.360 nan 0.000 0.458 425 E N -0.439 119.666 120.200 -0.157 0.000 2.409 425 E HA -0.114 4.237 4.350 0.001 0.000 0.198 425 E C 0.992 177.432 176.600 -0.267 0.000 1.024 425 E CA 0.421 56.612 56.400 -0.348 0.000 0.861 425 E CB -0.212 28.779 29.700 -1.182 0.000 0.788 425 E HN 0.313 nan 8.360 nan 0.000 0.521 426 F N -0.003 119.927 119.950 -0.033 0.000 2.639 426 F HA 0.302 4.829 4.527 0.001 0.000 0.300 426 F C 1.173 177.094 175.800 0.200 0.000 1.109 426 F CA 0.218 58.326 58.000 0.179 0.000 1.335 426 F CB 0.887 39.964 39.000 0.128 0.000 1.014 426 F HN -0.012 nan 8.300 nan 0.000 0.537 427 G N 0.382 109.303 108.800 0.201 0.000 2.245 427 G HA2 -0.175 3.786 3.960 0.001 0.000 0.130 427 G HA3 -0.175 3.786 3.960 0.001 0.000 0.130 427 G C 0.326 175.203 174.900 -0.037 0.000 1.040 427 G CA -0.388 44.752 45.100 0.066 0.000 0.713 427 G HN 0.354 nan 8.290 nan 0.000 0.488 428 L N -2.024 119.184 121.223 -0.025 0.000 3.608 428 L HA -0.254 4.087 4.340 0.001 0.000 0.422 428 L C 1.911 178.683 176.870 -0.163 0.000 1.260 428 L CA 0.819 55.593 54.840 -0.110 0.000 0.889 428 L CB -1.953 39.982 42.059 -0.207 0.000 1.821 428 L HN 0.413 nan 8.230 nan 0.000 0.884 429 L N -0.588 120.583 121.223 -0.087 0.000 2.127 429 L HA 0.043 4.384 4.340 0.001 0.000 0.203 429 L C 2.586 179.356 176.870 -0.166 0.000 1.080 429 L CA 1.473 56.236 54.840 -0.129 0.000 0.768 429 L CB -0.470 41.561 42.059 -0.047 0.000 0.924 429 L HN 0.539 nan 8.230 nan 0.000 0.444 430 G N 0.707 109.469 108.800 -0.064 0.000 2.459 430 G HA2 -0.312 3.649 3.960 0.001 0.000 0.217 430 G HA3 -0.312 3.649 3.960 0.001 0.000 0.217 430 G C 1.833 176.621 174.900 -0.188 0.000 1.183 430 G CA 1.239 46.347 45.100 0.014 0.000 0.776 430 G HN 0.483 nan 8.290 nan 0.000 0.552 431 S N -0.002 115.379 115.700 -0.531 0.000 2.368 431 S HA -0.127 4.344 4.470 0.001 0.000 0.225 431 S C 2.261 176.467 174.600 -0.657 0.000 1.030 431 S CA 2.138 59.648 58.200 -1.149 0.000 0.999 431 S CB -0.886 61.525 63.200 -1.315 0.000 0.844 431 S HN 0.295 nan 8.310 nan 0.000 0.459 432 T N 2.200 116.444 114.554 -0.517 0.000 2.737 432 T HA -0.007 4.343 4.350 0.001 0.000 0.265 432 T C 1.842 176.276 174.700 -0.444 0.000 1.038 432 T CA 1.406 63.214 62.100 -0.486 0.000 1.144 432 T CB -0.367 68.245 68.868 -0.427 0.000 0.866 432 T HN 0.373 nan 8.240 nan 0.000 0.434 433 E N 0.190 120.111 120.200 -0.464 0.000 2.077 433 E HA -0.118 4.233 4.350 0.001 0.000 0.193 433 E C 1.789 178.049 176.600 -0.566 0.000 0.989 433 E CA 0.825 56.860 56.400 -0.609 0.000 0.800 433 E CB -0.424 28.708 29.700 -0.948 0.000 0.746 433 E HN 0.646 nan 8.360 nan 0.000 0.452 434 W N 1.645 122.606 121.300 -0.564 0.000 2.358 434 W HA -0.161 4.500 4.660 0.001 0.000 0.303 434 W C 2.396 178.866 176.519 -0.081 0.000 1.208 434 W CA 2.409 59.681 57.345 -0.122 0.000 1.274 434 W CB -0.292 29.273 29.460 0.175 0.000 1.138 434 W HN 0.068 nan 8.180 nan 0.000 0.515 435 A N -0.016 122.721 122.820 -0.138 0.000 1.930 435 A HA -0.199 4.121 4.320 0.001 0.000 0.217 435 A C 1.813 179.202 177.584 -0.325 0.000 1.175 435 A CA 1.803 53.662 52.037 -0.296 0.000 0.627 435 A CB -0.758 17.912 19.000 -0.549 0.000 0.815 435 A HN 0.465 nan 8.150 nan 0.000 0.443 436 E N -0.700 119.306 120.200 -0.324 0.000 2.106 436 E HA -0.213 4.138 4.350 0.001 0.000 0.192 436 E C 2.004 178.480 176.600 -0.206 0.000 0.984 436 E CA 1.245 57.478 56.400 -0.278 0.000 0.806 436 E CB -0.096 29.421 29.700 -0.306 0.000 0.750 436 E HN 0.830 nan 8.360 nan 0.000 0.458 437 E N 0.669 120.745 120.200 -0.208 0.000 2.107 437 E HA -0.097 4.253 4.350 0.001 0.000 0.191 437 E C 1.097 177.578 176.600 -0.197 0.000 0.982 437 E CA 0.738 57.059 56.400 -0.132 0.000 0.809 437 E CB 0.272 29.943 29.700 -0.049 0.000 0.756 437 E HN 0.096 nan 8.360 nan 0.000 0.459 438 N N 0.136 118.617 118.700 -0.364 0.000 2.275 438 N HA 0.007 4.748 4.740 0.001 0.000 0.236 438 N C 1.006 176.395 175.510 -0.201 0.000 1.154 438 N CA 0.490 53.328 53.050 -0.353 0.000 0.866 438 N CB 1.037 39.077 38.487 -0.745 0.000 1.093 438 N HN 0.120 nan 8.380 nan 0.000 0.515 439 S N 0.910 116.518 115.700 -0.154 0.000 2.383 439 S HA -0.132 4.338 4.470 0.001 0.000 0.229 439 S C 1.932 176.523 174.600 -0.015 0.000 1.030 439 S CA 0.691 58.842 58.200 -0.083 0.000 1.002 439 S CB -0.116 63.028 63.200 -0.094 0.000 0.829 439 S HN 0.226 nan 8.310 nan 0.000 0.467 440 R N 1.082 121.574 120.500 -0.013 0.000 2.096 440 R HA 0.154 4.494 4.340 0.001 0.000 0.235 440 R C 2.357 178.692 176.300 0.057 0.000 1.127 440 R CA 1.518 57.631 56.100 0.022 0.000 0.968 440 R CB -0.645 29.666 30.300 0.018 0.000 0.861 440 R HN 0.435 nan 8.270 nan 0.000 0.440 441 L N 0.093 121.358 121.223 0.070 0.000 2.056 441 L HA -0.140 4.200 4.340 0.001 0.000 0.207 441 L C 2.228 179.218 176.870 0.199 0.000 1.078 441 L CA 1.139 56.071 54.840 0.153 0.000 0.749 441 L CB -0.489 41.702 42.059 0.221 0.000 0.901 441 L HN 0.190 nan 8.230 nan 0.000 0.433 442 L N -0.073 121.261 121.223 0.186 0.000 2.072 442 L HA -0.194 4.146 4.340 0.001 0.000 0.205 442 L C 2.855 179.847 176.870 0.204 0.000 1.079 442 L CA 1.316 56.309 54.840 0.256 0.000 0.752 442 L CB -0.569 41.643 42.059 0.256 0.000 0.906 442 L HN 0.433 nan 8.230 nan 0.000 0.436 443 Q N -0.311 119.581 119.800 0.153 0.000 2.230 443 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 443 Q C 1.357 177.499 176.000 0.236 0.000 0.963 443 Q CA 1.071 56.976 55.803 0.171 0.000 0.866 443 Q CB -0.035 28.775 28.738 0.120 0.000 0.931 443 Q HN 0.454 nan 8.270 nan 0.000 0.452 444 E N 0.844 121.157 120.200 0.189 0.000 2.400 444 E HA 0.062 4.413 4.350 0.001 0.000 0.195 444 E C 1.243 177.905 176.600 0.103 0.000 1.012 444 E CA 0.334 56.885 56.400 0.251 0.000 0.875 444 E CB 0.397 30.192 29.700 0.158 0.000 0.859 444 E HN 0.469 nan 8.360 nan 0.000 0.498 445 R N 0.338 120.829 120.500 -0.015 0.000 2.476 445 R HA 0.223 4.564 4.340 0.001 0.000 0.276 445 R C 0.735 176.919 176.300 -0.193 0.000 0.941 445 R CA 0.115 56.073 56.100 -0.237 0.000 1.088 445 R CB 1.227 31.186 30.300 -0.569 0.000 1.216 445 R HN -0.108 nan 8.270 nan 0.000 0.533 446 G N 0.539 109.350 108.800 0.018 0.000 2.327 446 G HA2 0.323 4.283 3.960 0.001 0.000 0.302 446 G HA3 0.323 4.283 3.960 0.001 0.000 0.302 446 G C 0.750 175.710 174.900 0.099 0.000 1.113 446 G CA -0.458 44.735 45.100 0.155 0.000 0.921 446 G HN -0.090 nan 8.290 nan 0.000 0.425 447 V N 2.261 122.238 119.914 0.105 0.000 2.374 447 V HA 0.437 4.558 4.120 0.001 0.000 0.241 447 V C 1.453 177.706 176.094 0.265 0.000 1.034 447 V CA 1.938 64.313 62.300 0.125 0.000 1.037 447 V CB -0.429 31.413 31.823 0.032 0.000 0.682 447 V HN 0.993 nan 8.190 nan 0.000 0.463 448 A N -1.531 121.428 122.820 0.231 0.000 2.605 448 A HA 0.673 4.994 4.320 0.001 0.000 0.294 448 A C -2.129 175.575 177.584 0.200 0.000 1.062 448 A CA -0.360 51.832 52.037 0.259 0.000 0.682 448 A CB 1.152 20.314 19.000 0.271 0.000 1.278 448 A HN 0.193 nan 8.150 nan 0.000 0.410 449 Y N 2.537 122.884 120.300 0.079 0.000 2.338 449 Y HA 0.654 5.205 4.550 0.001 0.000 0.333 449 Y C -1.140 174.769 175.900 0.016 0.000 0.968 449 Y CA -1.092 56.997 58.100 -0.018 0.000 1.123 449 Y CB 1.114 39.523 38.460 -0.084 0.000 1.165 449 Y HN 0.544 nan 8.280 nan 0.000 0.452 450 I N 5.582 125.816 120.570 -0.559 0.000 2.354 450 I HA 0.236 4.406 4.170 0.001 0.000 0.292 450 I C -0.095 175.674 176.117 -0.580 0.000 0.989 450 I CA -0.741 60.341 61.300 -0.363 0.000 1.188 450 I CB 1.022 38.910 38.000 -0.186 0.000 1.342 450 I HN 0.692 nan 8.210 nan 0.000 0.457 451 N N 4.074 122.653 118.700 -0.201 0.000 2.445 451 N HA 0.632 5.373 4.740 0.001 0.000 0.264 451 N C -0.307 175.213 175.510 0.017 0.000 1.227 451 N CA -0.170 52.902 53.050 0.037 0.000 0.963 451 N CB 1.219 39.932 38.487 0.377 0.000 1.188 451 N HN 0.725 nan 8.380 nan 0.000 0.491 452 A N 1.148 124.019 122.820 0.084 0.000 3.474 452 A HA 0.186 4.507 4.320 0.001 0.000 0.251 452 A C -0.599 177.028 177.584 0.071 0.000 1.062 452 A CA -0.617 51.459 52.037 0.066 0.000 0.945 452 A CB -0.293 18.744 19.000 0.061 0.000 1.296 452 A HN 0.641 nan 8.150 nan 0.000 0.592 453 D N 0.451 120.885 120.400 0.056 0.000 2.453 453 D HA 0.327 4.967 4.640 0.001 0.000 0.282 453 D C 0.630 176.955 176.300 0.041 0.000 1.222 453 D CA -0.143 53.854 54.000 -0.004 0.000 1.079 453 D CB 0.756 41.535 40.800 -0.036 0.000 1.128 453 D HN 0.235 nan 8.370 nan 0.000 0.568 454 S N -0.382 115.359 115.700 0.068 0.000 3.545 454 S HA -0.067 4.403 4.470 0.001 0.000 0.421 454 S C 1.336 175.935 174.600 -0.002 0.000 1.160 454 S CA 0.099 58.331 58.200 0.052 0.000 1.002 454 S CB 0.020 63.273 63.200 0.088 0.000 0.703 454 S HN 0.343 nan 8.310 nan 0.000 0.505 455 S N 2.214 117.875 115.700 -0.065 0.000 2.406 455 S HA 0.040 4.511 4.470 0.001 0.000 0.228 455 S C 0.901 175.478 174.600 -0.039 0.000 1.020 455 S CA 0.653 58.796 58.200 -0.094 0.000 0.965 455 S CB -0.397 62.635 63.200 -0.280 0.000 0.798 455 S HN 0.832 nan 8.310 nan 0.000 0.488 456 I N -0.229 120.302 120.570 -0.065 0.000 2.533 456 I HA 0.490 4.660 4.170 0.001 0.000 0.290 456 I C -0.021 175.968 176.117 -0.214 0.000 1.056 456 I CA -0.726 60.541 61.300 -0.056 0.000 1.057 456 I CB 2.206 40.199 38.000 -0.010 0.000 1.240 456 I HN 0.027 nan 8.210 nan 0.000 0.423 457 E N 3.873 123.986 120.200 -0.146 0.000 2.660 457 E HA 0.595 4.945 4.350 0.001 0.000 0.216 457 E C 0.272 176.859 176.600 -0.021 0.000 0.986 457 E CA -0.443 55.840 56.400 -0.196 0.000 1.037 457 E CB 1.097 30.820 29.700 0.040 0.000 1.041 457 E HN 0.979 nan 8.360 nan 0.000 0.480 458 G N 1.509 110.323 108.800 0.024 0.000 2.430 458 G HA2 0.191 4.151 3.960 0.001 0.000 0.300 458 G HA3 0.191 4.151 3.960 0.001 0.000 0.300 458 G C -1.174 173.690 174.900 -0.060 0.000 1.330 458 G CA -0.307 44.801 45.100 0.012 0.000 0.813 458 G HN 0.095 nan 8.290 nan 0.000 0.487 459 N N -1.649 116.946 118.700 -0.175 0.000 2.232 459 N HA 0.135 4.876 4.740 0.001 0.000 0.240 459 N C 0.370 175.779 175.510 -0.169 0.000 1.307 459 N CA -0.300 52.481 53.050 -0.449 0.000 0.859 459 N CB 0.135 38.246 38.487 -0.626 0.000 1.260 459 N HN 0.426 nan 8.380 nan 0.000 0.501 460 Y N 0.922 121.156 120.300 -0.110 0.000 2.163 460 Y HA 0.338 4.888 4.550 0.001 0.000 0.288 460 Y C 0.689 176.586 175.900 -0.005 0.000 1.112 460 Y CA 1.239 59.317 58.100 -0.036 0.000 1.104 460 Y CB 0.016 38.436 38.460 -0.066 0.000 1.016 460 Y HN 0.126 nan 8.280 nan 0.000 0.497 461 T N -1.351 113.023 114.554 -0.300 0.000 2.671 461 T HA 0.391 4.741 4.350 0.001 0.000 0.300 461 T C -2.077 171.840 174.700 -1.304 0.000 1.238 461 T CA -0.675 60.980 62.100 -0.741 0.000 1.020 461 T CB 0.384 68.933 68.868 -0.532 0.000 1.503 461 T HN -0.006 nan 8.240 nan 0.000 0.497 462 L N 2.398 122.920 121.223 -1.168 0.000 2.349 462 L HA 0.605 4.945 4.340 0.001 0.000 0.275 462 L C 0.277 176.716 176.870 -0.718 0.000 1.115 462 L CA 0.089 54.261 54.840 -1.113 0.000 0.820 462 L CB 0.539 41.835 42.059 -1.271 0.000 1.135 462 L HN 0.500 nan 8.230 nan 0.000 0.445 463 R N 3.757 123.961 120.500 -0.493 0.000 2.387 463 R HA 0.667 5.008 4.340 0.001 0.000 0.314 463 R C -1.771 174.374 176.300 -0.259 0.000 0.958 463 R CA -0.603 55.349 56.100 -0.247 0.000 0.846 463 R CB 1.410 31.617 30.300 -0.154 0.000 1.147 463 R HN 0.520 nan 8.270 nan 0.000 0.447 464 V N 4.262 124.087 119.914 -0.147 0.000 2.531 464 V HA 0.284 4.405 4.120 0.001 0.000 0.301 464 V C -1.081 174.986 176.094 -0.045 0.000 1.034 464 V CA -0.919 61.313 62.300 -0.115 0.000 0.865 464 V CB 2.035 33.800 31.823 -0.097 0.000 0.995 464 V HN 0.728 nan 8.190 nan 0.000 0.424 465 D N 3.915 124.246 120.400 -0.115 0.000 2.391 465 D HA 0.742 5.382 4.640 0.001 0.000 0.245 465 D C -0.380 175.775 176.300 -0.241 0.000 1.069 465 D CA -0.071 53.826 54.000 -0.172 0.000 0.831 465 D CB 1.801 42.452 40.800 -0.248 0.000 1.204 465 D HN 0.872 nan 8.370 nan 0.000 0.503 466 C N -0.453 118.719 119.300 -0.212 0.000 3.312 466 C HA 0.729 5.190 4.460 0.001 0.000 0.332 466 C C 0.239 175.031 174.990 -0.330 0.000 1.340 466 C CA -0.952 57.901 59.018 -0.276 0.000 1.265 466 C CB 1.225 28.910 27.740 -0.091 0.000 1.563 466 C HN 0.559 nan 8.230 nan 0.000 0.471 467 T N 1.707 115.991 114.554 -0.449 0.000 2.946 467 T HA 0.302 4.652 4.350 0.001 0.000 0.311 467 T C -1.227 173.161 174.700 -0.521 0.000 1.063 467 T CA 0.032 61.878 62.100 -0.424 0.000 1.139 467 T CB 0.410 69.174 68.868 -0.172 0.000 0.994 467 T HN 0.698 nan 8.240 nan 0.000 0.547 468 P HA -0.021 nan 4.420 nan 0.000 0.222 468 P C 1.463 178.218 177.300 -0.907 0.000 1.142 468 P CA 0.882 63.040 63.100 -1.570 0.000 0.788 468 P CB -0.037 30.857 31.700 -1.343 0.000 0.767 469 L N -2.326 118.593 121.223 -0.506 0.000 2.362 469 L HA -0.035 4.306 4.340 0.001 0.000 0.219 469 L C 2.038 178.859 176.870 -0.082 0.000 1.134 469 L CA 1.181 55.871 54.840 -0.249 0.000 0.807 469 L CB -0.486 41.301 42.059 -0.453 0.000 0.927 469 L HN 0.075 nan 8.230 nan 0.000 0.447 470 M N -2.713 116.838 119.600 -0.082 0.000 2.313 470 M HA 0.043 4.524 4.480 0.001 0.000 0.273 470 M C 1.353 177.793 176.300 0.233 0.000 1.049 470 M CA -0.166 55.216 55.300 0.136 0.000 1.004 470 M CB 0.466 33.139 32.600 0.122 0.000 1.461 470 M HN 0.026 nan 8.290 nan 0.000 0.514 471 Y N 0.697 120.995 120.300 -0.004 0.000 2.040 471 Y HA -0.253 4.297 4.550 0.001 0.000 0.275 471 Y C 2.675 178.485 175.900 -0.150 0.000 1.171 471 Y CA 1.556 59.615 58.100 -0.068 0.000 1.123 471 Y CB -1.462 36.895 38.460 -0.171 0.000 0.963 471 Y HN 0.220 nan 8.280 nan 0.000 0.493 472 S N 0.165 115.889 115.700 0.040 0.000 2.399 472 S HA -0.148 4.322 4.470 0.001 0.000 0.231 472 S C 2.124 176.805 174.600 0.135 0.000 1.022 472 S CA 1.089 59.297 58.200 0.013 0.000 0.983 472 S CB -0.760 62.469 63.200 0.048 0.000 0.803 472 S HN 0.413 nan 8.310 nan 0.000 0.480 473 L N 1.902 123.230 121.223 0.174 0.000 2.042 473 L HA -0.054 4.286 4.340 0.001 0.000 0.210 473 L C 2.081 179.077 176.870 0.211 0.000 1.076 473 L CA 1.660 56.609 54.840 0.182 0.000 0.749 473 L CB -0.584 41.592 42.059 0.196 0.000 0.893 473 L HN 0.129 nan 8.230 nan 0.000 0.432 474 V N -0.398 119.678 119.914 0.270 0.000 2.407 474 V HA -0.242 3.879 4.120 0.001 0.000 0.245 474 V C 2.425 178.792 176.094 0.455 0.000 1.041 474 V CA 1.862 64.359 62.300 0.327 0.000 1.040 474 V CB -0.903 31.141 31.823 0.369 0.000 0.671 474 V HN 0.594 nan 8.190 nan 0.000 0.455 475 H N 0.384 119.623 119.070 0.281 0.000 2.267 475 H HA -0.177 4.379 4.556 0.001 0.000 0.297 475 H C 2.361 177.746 175.328 0.094 0.000 1.080 475 H CA 1.723 57.917 56.048 0.243 0.000 1.278 475 H CB -0.041 29.793 29.762 0.119 0.000 1.365 475 H HN 0.387 nan 8.280 nan 0.000 0.489 476 N N 0.820 119.645 118.700 0.208 0.000 2.104 476 N HA -0.132 4.608 4.740 0.001 0.000 0.190 476 N C 1.998 177.573 175.510 0.108 0.000 1.024 476 N CA 0.669 53.779 53.050 0.101 0.000 0.853 476 N CB -0.442 38.099 38.487 0.091 0.000 1.008 476 N HN 0.205 nan 8.380 nan 0.000 0.424 477 L N 0.758 122.071 121.223 0.149 0.000 2.093 477 L HA -0.053 4.288 4.340 0.001 0.000 0.208 477 L C 2.025 178.968 176.870 0.122 0.000 1.085 477 L CA 1.651 56.566 54.840 0.125 0.000 0.755 477 L CB -1.133 41.006 42.059 0.134 0.000 0.904 477 L HN 0.318 nan 8.230 nan 0.000 0.435 478 T N -4.292 110.369 114.554 0.179 0.000 3.085 478 T HA -0.081 4.270 4.350 0.001 0.000 0.263 478 T C 1.757 176.573 174.700 0.194 0.000 1.127 478 T CA 0.845 63.061 62.100 0.194 0.000 1.103 478 T CB -0.343 68.708 68.868 0.306 0.000 0.921 478 T HN 0.332 nan 8.240 nan 0.000 0.510 479 K N 1.092 121.574 120.400 0.136 0.000 2.228 479 K HA 0.076 4.397 4.320 0.001 0.000 0.202 479 K C 1.932 178.567 176.600 0.058 0.000 1.051 479 K CA 0.902 57.234 56.287 0.074 0.000 0.960 479 K CB 0.057 32.524 32.500 -0.056 0.000 0.743 479 K HN 0.465 nan 8.250 nan 0.000 0.458 480 E N 0.479 120.709 120.200 0.051 0.000 2.445 480 E HA 0.086 4.437 4.350 0.001 0.000 0.189 480 E C -0.406 176.210 176.600 0.026 0.000 1.069 480 E CA 0.024 56.442 56.400 0.030 0.000 0.871 480 E CB 0.244 29.956 29.700 0.020 0.000 0.991 480 E HN 0.162 nan 8.360 nan 0.000 0.481 481 L N 0.766 122.017 121.223 0.046 0.000 2.342 481 L HA 0.401 4.742 4.340 0.001 0.000 0.271 481 L C -0.171 176.721 176.870 0.036 0.000 1.008 481 L CA -1.003 53.856 54.840 0.030 0.000 0.818 481 L CB 1.891 43.971 42.059 0.035 0.000 1.296 481 L HN -0.225 nan 8.230 nan 0.000 0.427 482 K N 1.314 121.722 120.400 0.013 0.000 2.297 482 K HA 0.191 4.512 4.320 0.001 0.000 0.286 482 K C 0.012 176.623 176.600 0.018 0.000 1.053 482 K CA -0.129 56.168 56.287 0.015 0.000 0.940 482 K CB 1.321 33.816 32.500 -0.008 0.000 1.019 482 K HN 0.467 nan 8.250 nan 0.000 0.475 483 S N 3.574 119.298 115.700 0.041 0.000 2.552 483 S HA 0.044 4.515 4.470 0.001 0.000 0.289 483 S C -1.413 173.195 174.600 0.013 0.000 1.304 483 S CA -1.099 57.124 58.200 0.037 0.000 1.063 483 S CB 0.423 63.649 63.200 0.044 0.000 0.848 483 S HN 0.492 nan 8.310 nan 0.000 0.499 484 P HA 0.284 nan 4.420 nan 0.000 0.267 484 P C -0.725 176.519 177.300 -0.093 0.000 1.289 484 P CA -0.198 62.811 63.100 -0.152 0.000 0.866 484 P CB 0.051 31.533 31.700 -0.364 0.000 1.309 485 D N 0.453 120.906 120.400 0.089 0.000 2.341 485 D HA 0.077 4.717 4.640 0.001 0.000 0.245 485 D C 0.228 176.668 176.300 0.234 0.000 1.106 485 D CA 0.071 54.200 54.000 0.216 0.000 0.905 485 D CB 0.554 41.480 40.800 0.211 0.000 1.202 485 D HN -0.138 nan 8.370 nan 0.000 0.426 486 E N -0.078 120.257 120.200 0.225 0.000 2.417 486 E HA 0.409 4.759 4.350 0.001 0.000 0.261 486 E C 1.274 177.984 176.600 0.183 0.000 1.000 486 E CA 0.286 56.784 56.400 0.163 0.000 0.919 486 E CB 0.604 30.386 29.700 0.137 0.000 0.955 486 E HN 0.739 nan 8.360 nan 0.000 0.455 487 G N 1.916 110.750 108.800 0.058 0.000 2.147 487 G HA2 -0.294 3.666 3.960 0.001 0.000 0.244 487 G HA3 -0.294 3.666 3.960 0.001 0.000 0.244 487 G C 0.188 174.865 174.900 -0.371 0.000 1.005 487 G CA 0.191 45.214 45.100 -0.128 0.000 0.713 487 G HN 0.596 nan 8.290 nan 0.000 0.515 488 F N 0.702 120.661 119.950 0.016 0.000 2.875 488 F HA 0.244 4.771 4.527 0.001 0.000 0.334 488 F C 0.650 176.455 175.800 0.008 0.000 1.228 488 F CA -0.652 57.358 58.000 0.015 0.000 1.094 488 F CB 0.446 39.461 39.000 0.025 0.000 1.239 488 F HN 0.162 nan 8.300 nan 0.000 0.509 489 E N 0.204 120.469 120.200 0.109 0.000 2.414 489 E HA 0.341 4.692 4.350 0.001 0.000 0.263 489 E C 1.376 178.009 176.600 0.054 0.000 1.000 489 E CA 0.869 57.305 56.400 0.061 0.000 0.914 489 E CB 0.642 30.354 29.700 0.020 0.000 0.948 489 E HN 0.438 nan 8.360 nan 0.000 0.444 490 G N 3.062 111.890 108.800 0.047 0.000 2.396 490 G HA2 -0.314 3.647 3.960 0.001 0.000 0.242 490 G HA3 -0.314 3.647 3.960 0.001 0.000 0.242 490 G C 0.369 175.310 174.900 0.069 0.000 1.069 490 G CA 0.575 45.701 45.100 0.042 0.000 0.633 490 G HN 0.476 nan 8.290 nan 0.000 0.517 491 K N 1.543 122.013 120.400 0.117 0.000 2.180 491 K HA 0.470 4.791 4.320 0.001 0.000 0.251 491 K C 1.038 177.716 176.600 0.131 0.000 1.014 491 K CA 0.439 56.820 56.287 0.157 0.000 0.913 491 K CB 1.037 33.714 32.500 0.295 0.000 1.008 491 K HN 0.603 nan 8.250 nan 0.000 0.490 492 S N 0.670 116.445 115.700 0.125 0.000 2.652 492 S HA 0.068 4.539 4.470 0.001 0.000 0.270 492 S C 1.073 175.731 174.600 0.097 0.000 1.243 492 S CA -0.708 57.557 58.200 0.109 0.000 0.999 492 S CB 0.850 64.126 63.200 0.128 0.000 0.973 492 S HN 0.565 nan 8.310 nan 0.000 0.544 493 L N 1.424 122.705 121.223 0.098 0.000 2.083 493 L HA 0.011 4.352 4.340 0.001 0.000 0.209 493 L C 2.036 179.003 176.870 0.160 0.000 1.083 493 L CA 1.822 56.715 54.840 0.089 0.000 0.752 493 L CB -1.547 40.561 42.059 0.083 0.000 0.899 493 L HN 0.912 nan 8.230 nan 0.000 0.433 494 Y N 0.912 121.275 120.300 0.106 0.000 2.128 494 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 494 Y C 2.574 178.480 175.900 0.011 0.000 1.154 494 Y CA 3.074 61.241 58.100 0.112 0.000 1.149 494 Y CB -0.680 37.809 38.460 0.048 0.000 0.976 494 Y HN 0.364 nan 8.280 nan 0.000 0.505 495 E N 0.132 120.385 120.200 0.089 0.000 2.033 495 E HA -0.266 4.084 4.350 0.001 0.000 0.199 495 E C 2.208 178.696 176.600 -0.188 0.000 1.011 495 E CA 2.465 58.866 56.400 0.003 0.000 0.815 495 E CB -1.490 nan 29.700 nan 0.000 0.755 495 E HN 0.700 nan 8.360 nan 0.000 0.451 496 S N -0.568 114.907 115.700 -0.376 0.000 2.356 496 S HA -0.176 4.295 4.470 0.001 0.000 0.223 496 S C 2.002 176.322 174.600 -0.467 0.000 1.032 496 S CA 1.428 59.089 58.200 -0.898 0.000 1.005 496 S CB -0.771 61.821 63.200 -1.014 0.000 0.867 496 S HN 0.777 nan 8.310 nan 0.000 0.449 497 W N 3.046 124.061 121.300 -0.475 0.000 2.338 497 W HA -0.129 4.532 4.660 0.001 0.000 0.304 497 W C 2.759 179.019 176.519 -0.433 0.000 1.212 497 W CA 2.033 59.118 57.345 -0.434 0.000 1.264 497 W CB -1.259 27.981 29.460 -0.367 0.000 1.142 497 W HN 0.434 nan 8.180 nan 0.000 0.512 498 T N -0.455 113.759 114.554 -0.567 0.000 3.014 498 T HA -0.008 4.343 4.350 0.001 0.000 0.263 498 T C 2.143 176.616 174.700 -0.379 0.000 1.078 498 T CA 2.818 64.504 62.100 -0.691 0.000 1.135 498 T CB -0.393 67.916 68.868 -0.932 0.000 0.895 498 T HN 0.112 nan 8.240 nan 0.000 0.480 499 K N 1.537 121.783 120.400 -0.257 0.000 2.057 499 K HA 0.020 4.340 4.320 0.001 0.000 0.207 499 K C 2.266 178.801 176.600 -0.109 0.000 1.049 499 K CA 1.765 57.987 56.287 -0.109 0.000 0.931 499 K CB -0.847 31.692 32.500 0.064 0.000 0.714 499 K HN 0.634 nan 8.250 nan 0.000 0.440 500 K N -0.524 119.758 120.400 -0.197 0.000 2.365 500 K HA 0.054 4.374 4.320 0.001 0.000 0.197 500 K C 0.540 177.081 176.600 -0.098 0.000 1.042 500 K CA 0.886 57.049 56.287 -0.206 0.000 0.987 500 K CB 0.414 32.591 32.500 -0.539 0.000 0.779 500 K HN 0.299 nan 8.250 nan 0.000 0.484 501 S N 1.254 116.867 115.700 -0.144 0.000 2.680 501 S HA 0.215 4.686 4.470 0.001 0.000 0.140 501 S C -2.941 171.511 174.600 -0.247 0.000 1.357 501 S CA -1.315 56.818 58.200 -0.112 0.000 1.201 501 S CB 0.526 63.715 63.200 -0.019 0.000 1.547 501 S HN -0.127 nan 8.310 nan 0.000 0.411 502 P HA 0.263 nan 4.420 nan 0.000 0.279 502 P C -0.148 177.030 177.300 -0.203 0.000 1.252 502 P CA -0.298 62.658 63.100 -0.240 0.000 0.811 502 P CB 1.165 32.773 31.700 -0.154 0.000 1.035 503 S N 1.916 117.484 115.700 -0.221 0.000 2.510 503 S HA 0.172 4.643 4.470 0.001 0.000 0.279 503 S C -1.023 173.521 174.600 -0.093 0.000 1.284 503 S CA -1.080 57.023 58.200 -0.161 0.000 1.059 503 S CB -0.309 62.793 63.200 -0.163 0.000 0.901 503 S HN 0.319 nan 8.310 nan 0.000 0.491 504 P HA 0.076 nan 4.420 nan 0.000 0.218 504 P C 0.910 178.201 177.300 -0.015 0.000 1.152 504 P CA 1.271 64.354 63.100 -0.028 0.000 0.826 504 P CB -0.219 31.474 31.700 -0.011 0.000 0.790 505 E N -0.351 119.840 120.200 -0.014 0.000 2.438 505 E HA 0.348 4.699 4.350 0.001 0.000 0.192 505 E C 0.609 177.208 176.600 -0.002 0.000 1.110 505 E CA 0.203 56.605 56.400 0.004 0.000 0.893 505 E CB -1.837 nan 29.700 nan 0.000 0.990 505 E HN 0.462 nan 8.360 nan 0.000 0.490 506 F N -3.420 116.521 119.950 -0.016 0.000 2.168 506 F HA 0.298 4.826 4.527 0.001 0.000 0.408 506 F C 0.958 176.747 175.800 -0.019 0.000 1.284 506 F CA 0.074 58.066 58.000 -0.013 0.000 1.258 506 F CB -1.289 nan 39.000 nan 0.000 3.622 506 F HN 1.057 nan 8.300 nan 0.000 0.466 507 S N 0.823 116.510 115.700 -0.022 0.000 3.571 507 S HA 0.824 5.295 4.470 0.001 0.000 0.175 507 S C 2.107 176.681 174.600 -0.043 0.000 0.907 507 S CA 0.359 58.547 58.200 -0.020 0.000 1.087 507 S CB -0.232 nan 63.200 nan 0.000 1.471 507 S HN 2.630 nan 8.310 nan 0.000 0.877 508 G N 1.786 110.571 108.800 -0.025 0.000 3.452 508 G HA2 0.504 4.465 3.960 0.001 0.000 0.258 508 G HA3 0.504 4.465 3.960 0.001 0.000 0.258 508 G C -0.073 174.779 174.900 -0.080 0.000 1.305 508 G CA 0.018 45.094 45.100 -0.040 0.000 1.514 508 G HN 0.373 nan 8.290 nan 0.000 0.593 509 M N 0.456 119.960 119.600 -0.161 0.000 2.550 509 M HA 0.372 4.853 4.480 0.001 0.000 0.292 509 M C -2.639 173.354 176.300 -0.512 0.000 1.221 509 M CA -2.138 52.996 55.300 -0.276 0.000 0.873 509 M CB 3.299 35.840 32.600 -0.098 0.000 1.727 509 M HN -0.159 nan 8.290 nan 0.000 0.459 510 P HA 0.166 nan 4.420 nan 0.000 0.274 510 P C -1.321 175.521 177.300 -0.763 0.000 1.237 510 P CA -0.407 62.002 63.100 -1.151 0.000 0.793 510 P CB 0.598 30.850 31.700 -2.413 0.000 0.977 511 R N 2.784 122.960 120.500 -0.540 0.000 2.438 511 R HA 0.424 4.765 4.340 0.001 0.000 0.287 511 R C -0.833 175.399 176.300 -0.114 0.000 1.077 511 R CA -0.180 55.768 56.100 -0.254 0.000 1.034 511 R CB -0.077 30.141 30.300 -0.136 0.000 0.993 511 R HN 0.446 nan 8.270 nan 0.000 0.459 512 I N 3.268 123.769 120.570 -0.114 0.000 2.498 512 I HA 0.204 4.374 4.170 0.001 0.000 0.290 512 I C -0.334 175.761 176.117 -0.037 0.000 1.032 512 I CA -0.867 60.417 61.300 -0.028 0.000 1.073 512 I CB 2.424 40.315 38.000 -0.182 0.000 1.251 512 I HN 0.766 nan 8.210 nan 0.000 0.426 513 S N 4.661 120.355 115.700 -0.010 0.000 2.722 513 S HA 0.503 4.974 4.470 0.001 0.000 0.292 513 S C -0.315 174.246 174.600 -0.064 0.000 1.135 513 S CA -1.139 57.048 58.200 -0.021 0.000 1.003 513 S CB 1.352 64.535 63.200 -0.029 0.000 1.067 513 S HN 0.417 nan 8.310 nan 0.000 0.546 514 K N 0.586 120.943 120.400 -0.073 0.000 2.326 514 K HA 0.249 4.569 4.320 0.001 0.000 0.275 514 K C -0.621 175.814 176.600 -0.274 0.000 1.018 514 K CA -0.118 56.051 56.287 -0.196 0.000 0.962 514 K CB 0.218 32.661 32.500 -0.095 0.000 0.953 514 K HN 0.412 nan 8.250 nan 0.000 0.475 515 L N 2.190 123.117 121.223 -0.493 0.000 2.367 515 L HA 0.094 4.434 4.340 0.001 0.000 0.275 515 L C 1.097 177.817 176.870 -0.249 0.000 1.129 515 L CA 0.035 54.551 54.840 -0.540 0.000 0.839 515 L CB 0.981 42.469 42.059 -0.951 0.000 1.133 515 L HN 0.909 nan 8.230 nan 0.000 0.453 516 G N 1.762 110.530 108.800 -0.054 0.000 2.930 516 G HA2 0.512 4.473 3.960 0.001 0.000 0.209 516 G HA3 0.512 4.473 3.960 0.001 0.000 0.209 516 G C -0.243 174.689 174.900 0.054 0.000 2.018 516 G CA 0.581 45.678 45.100 -0.005 0.000 0.751 516 G HN 0.624 nan 8.290 nan 0.000 0.770 517 S N -3.478 112.089 115.700 -0.222 0.000 2.752 517 S HA 0.549 5.020 4.470 0.001 0.000 0.284 517 S C 0.558 174.807 174.600 -0.586 0.000 1.189 517 S CA 0.469 58.412 58.200 -0.429 0.000 0.835 517 S CB 1.186 64.051 63.200 -0.559 0.000 1.192 517 S HN 2.259 nan 8.310 nan 0.000 0.506 518 G N 0.543 109.000 108.800 -0.571 0.000 2.143 518 G HA2 -0.204 3.757 3.960 0.001 0.000 0.248 518 G HA3 -0.204 3.757 3.960 0.001 0.000 0.248 518 G C -0.111 174.643 174.900 -0.243 0.000 0.991 518 G CA 0.422 45.262 45.100 -0.433 0.000 0.689 518 G HN 0.864 nan 8.290 nan 0.000 0.522 519 N N -1.235 117.199 118.700 -0.444 0.000 3.278 519 N HA 0.277 5.017 4.740 0.001 0.000 0.307 519 N C -0.246 174.966 175.510 -0.496 0.000 1.551 519 N CA -0.414 52.471 53.050 -0.276 0.000 0.794 519 N CB 0.946 39.459 38.487 0.042 0.000 1.770 519 N HN -0.126 nan 8.380 nan 0.000 0.612 520 D N 0.373 120.678 120.400 -0.158 0.000 2.363 520 D HA -0.011 4.630 4.640 0.001 0.000 0.220 520 D C 1.543 177.799 176.300 -0.074 0.000 0.994 520 D CA 0.530 54.454 54.000 -0.125 0.000 0.890 520 D CB -0.031 40.813 40.800 0.073 0.000 0.906 520 D HN 0.446 nan 8.370 nan 0.000 0.530 521 F N 0.911 120.955 119.950 0.156 0.000 2.502 521 F HA 0.115 4.642 4.527 0.001 0.000 0.298 521 F C 1.949 177.812 175.800 0.104 0.000 1.111 521 F CA 0.171 58.253 58.000 0.138 0.000 1.445 521 F CB -0.653 38.505 39.000 0.262 0.000 1.081 521 F HN -0.165 nan 8.300 nan 0.000 0.558 522 E N 1.084 120.947 120.200 -0.561 0.000 2.049 522 E HA -0.239 4.112 4.350 0.001 0.000 0.198 522 E C 2.334 178.875 176.600 -0.098 0.000 1.007 522 E CA 1.932 58.139 56.400 -0.320 0.000 0.809 522 E CB -0.428 29.003 29.700 -0.447 0.000 0.749 522 E HN 0.318 nan 8.360 nan 0.000 0.450 523 V N -0.015 119.713 119.914 -0.310 0.000 2.407 523 V HA -0.224 3.897 4.120 0.001 0.000 0.248 523 V C 1.821 177.700 176.094 -0.358 0.000 1.055 523 V CA 1.833 63.886 62.300 -0.412 0.000 1.049 523 V CB -0.491 30.930 31.823 -0.669 0.000 0.662 523 V HN 0.320 nan 8.190 nan 0.000 0.455 524 F N -0.857 119.056 119.950 -0.062 0.000 2.113 524 F HA -0.054 4.474 4.527 0.001 0.000 0.297 524 F C 2.026 177.960 175.800 0.223 0.000 1.103 524 F CA 2.157 60.184 58.000 0.045 0.000 1.248 524 F CB -0.901 38.047 39.000 -0.086 0.000 0.999 524 F HN 0.257 nan 8.300 nan 0.000 0.475 525 F N 0.874 120.992 119.950 0.280 0.000 2.104 525 F HA -0.071 4.456 4.527 0.001 0.000 0.288 525 F C 2.438 178.389 175.800 0.252 0.000 1.107 525 F CA 1.420 59.581 58.000 0.268 0.000 1.208 525 F CB -0.686 38.466 39.000 0.253 0.000 1.033 525 F HN -0.176 nan 8.300 nan 0.000 0.478 526 Q N -0.110 119.811 119.800 0.201 0.000 2.245 526 Q HA -0.075 4.265 4.340 0.001 0.000 0.201 526 Q C 2.285 178.371 176.000 0.142 0.000 0.955 526 Q CA 0.976 56.843 55.803 0.107 0.000 0.870 526 Q CB -0.221 28.612 28.738 0.158 0.000 0.945 526 Q HN 0.446 nan 8.270 nan 0.000 0.461 527 R N 0.014 120.575 120.500 0.101 0.000 2.123 527 R HA 0.168 4.508 4.340 0.001 0.000 0.209 527 R C 1.966 178.287 176.300 0.034 0.000 1.078 527 R CA 0.191 56.329 56.100 0.063 0.000 1.028 527 R CB 0.368 30.671 30.300 0.005 0.000 0.939 527 R HN 0.146 nan 8.270 nan 0.000 0.463 528 L N -0.604 120.643 121.223 0.039 0.000 2.513 528 L HA 0.303 4.643 4.340 0.001 0.000 0.222 528 L C 0.797 177.730 176.870 0.106 0.000 1.096 528 L CA 0.495 55.373 54.840 0.064 0.000 0.857 528 L CB 0.553 42.660 42.059 0.080 0.000 1.026 528 L HN 0.495 nan 8.230 nan 0.000 0.469 529 G N 1.829 110.698 108.800 0.114 0.000 2.225 529 G HA2 -0.270 3.690 3.960 0.001 0.000 0.264 529 G HA3 -0.270 3.690 3.960 0.001 0.000 0.264 529 G C -0.067 174.964 174.900 0.219 0.000 1.060 529 G CA -0.134 45.030 45.100 0.107 0.000 0.833 529 G HN 0.279 nan 8.290 nan 0.000 0.498 530 I N 1.030 121.796 120.570 0.327 0.000 2.336 530 I HA 0.537 4.707 4.170 0.001 0.000 0.292 530 I C 1.134 177.541 176.117 0.484 0.000 0.991 530 I CA -0.578 60.944 61.300 0.371 0.000 1.227 530 I CB 1.631 39.878 38.000 0.411 0.000 1.366 530 I HN 0.376 nan 8.210 nan 0.000 0.466 531 A N 5.302 128.340 122.820 0.363 0.000 2.566 531 A HA 0.315 4.635 4.320 0.001 0.000 0.245 531 A C 0.076 177.812 177.584 0.252 0.000 1.056 531 A CA 0.488 52.694 52.037 0.283 0.000 0.757 531 A CB -0.160 18.808 19.000 -0.053 0.000 0.979 531 A HN 0.693 nan 8.150 nan 0.000 0.508 532 S N 0.639 116.395 115.700 0.093 0.000 2.570 532 S HA 0.887 5.358 4.470 0.001 0.000 0.286 532 S C 0.154 174.630 174.600 -0.206 0.000 1.099 532 S CA -0.066 58.147 58.200 0.022 0.000 0.913 532 S CB 2.238 65.489 63.200 0.086 0.000 1.085 532 S HN 1.493 nan 8.310 nan 0.000 0.480 533 G N 0.825 109.552 108.800 -0.122 0.000 2.708 533 G HA2 0.792 4.753 3.960 0.001 0.000 0.289 533 G HA3 0.792 4.753 3.960 0.001 0.000 0.289 533 G C -1.750 173.055 174.900 -0.158 0.000 1.416 533 G CA -0.970 44.013 45.100 -0.195 0.000 0.829 533 G HN 0.786 nan 8.290 nan 0.000 0.480 534 R N -1.230 119.163 120.500 -0.178 0.000 2.707 534 R HA 0.837 5.177 4.340 0.001 0.000 0.272 534 R C -1.384 174.850 176.300 -0.109 0.000 1.011 534 R CA -0.922 55.109 56.100 -0.114 0.000 0.893 534 R CB 1.864 32.100 30.300 -0.107 0.000 1.233 534 R HN 1.285 nan 8.270 nan 0.000 0.464 535 A N 2.281 125.052 122.820 -0.082 0.000 2.455 535 A HA 0.792 5.113 4.320 0.001 0.000 0.300 535 A C -1.018 176.521 177.584 -0.075 0.000 1.040 535 A CA -0.935 51.035 52.037 -0.113 0.000 0.697 535 A CB 1.720 20.643 19.000 -0.128 0.000 1.265 535 A HN 0.974 nan 8.150 nan 0.000 0.407 536 R N 0.712 121.151 120.500 -0.103 0.000 2.733 536 R HA 0.510 4.851 4.340 0.001 0.000 0.272 536 R C -2.006 174.254 176.300 -0.067 0.000 1.029 536 R CA -0.729 55.346 56.100 -0.040 0.000 0.888 536 R CB 0.728 31.014 30.300 -0.024 0.000 1.251 536 R HN 0.516 nan 8.270 nan 0.000 0.464 537 Y N 0.369 120.605 120.300 -0.106 0.000 2.304 537 Y HA 0.388 4.939 4.550 0.001 0.000 0.328 537 Y C 0.469 176.299 175.900 -0.117 0.000 1.123 537 Y CA 0.840 58.863 58.100 -0.127 0.000 1.218 537 Y CB 2.000 40.384 38.460 -0.127 0.000 1.207 537 Y HN 0.723 nan 8.280 nan 0.000 0.495 538 T N 3.617 118.085 114.554 -0.144 0.000 2.864 538 T HA 0.420 4.770 4.350 0.001 0.000 0.289 538 T C -0.744 173.952 174.700 -0.007 0.000 1.082 538 T CA -1.021 61.040 62.100 -0.065 0.000 1.009 538 T CB 0.861 69.680 68.868 -0.082 0.000 1.234 538 T HN 0.656 nan 8.240 nan 0.000 0.526 539 K N 1.741 122.141 120.400 -0.001 0.000 2.155 539 K HA 0.379 4.699 4.320 0.001 0.000 0.237 539 K C 0.415 177.017 176.600 0.003 0.000 1.040 539 K CA -0.785 55.491 56.287 -0.018 0.000 0.912 539 K CB 0.275 32.740 32.500 -0.059 0.000 1.137 539 K HN 0.479 nan 8.250 nan 0.000 0.498 549 Y N -0.387 119.926 120.300 0.021 0.000 2.462 549 Y HA 0.774 5.324 4.550 0.001 0.000 0.346 549 Y C -2.135 173.953 175.900 0.312 0.000 0.976 549 Y CA -2.546 55.651 58.100 0.162 0.000 1.044 549 Y CB 1.526 40.066 38.460 0.132 0.000 1.230 549 Y HN 0.253 nan 8.280 nan 0.000 0.455 550 P HA -0.135 nan 4.420 nan 0.000 0.216 550 P C 0.869 178.378 177.300 0.348 0.000 1.150 550 P CA 1.601 64.978 63.100 0.463 0.000 0.837 550 P CB 0.286 32.248 31.700 0.437 0.000 0.786 551 L N -2.961 118.515 121.223 0.422 0.000 2.629 551 L HA 0.091 4.432 4.340 0.001 0.000 0.230 551 L C 0.629 177.636 176.870 0.228 0.000 1.151 551 L CA -0.682 54.360 54.840 0.337 0.000 0.924 551 L CB -0.837 41.447 42.059 0.375 0.000 1.137 551 L HN -0.024 nan 8.230 nan 0.000 0.457 552 Y N 1.643 121.808 120.300 -0.226 0.000 2.804 552 Y HA -0.167 4.384 4.550 0.001 0.000 0.338 552 Y C 1.049 176.838 175.900 -0.186 0.000 1.252 552 Y CA 0.439 58.240 58.100 -0.498 0.000 1.576 552 Y CB -0.754 37.133 38.460 -0.955 0.000 1.223 552 Y HN 0.258 nan 8.280 nan 0.000 0.536 553 H N 1.791 120.641 119.070 -0.367 0.000 3.109 553 H HA -0.195 4.362 4.556 0.001 0.000 0.245 553 H C 0.236 175.405 175.328 -0.264 0.000 1.187 553 H CA 0.272 56.084 56.048 -0.394 0.000 1.136 553 H CB -1.307 27.991 29.762 -0.773 0.000 1.243 553 H HN 0.618 nan 8.280 nan 0.000 0.328 554 S N -0.666 115.015 115.700 -0.031 0.000 2.722 554 S HA 0.412 4.883 4.470 0.001 0.000 0.292 554 S C 1.180 175.726 174.600 -0.089 0.000 1.135 554 S CA -0.322 57.831 58.200 -0.079 0.000 1.003 554 S CB 2.247 65.437 63.200 -0.017 0.000 1.067 554 S HN 0.120 nan 8.310 nan 0.000 0.546 555 V N 1.134 120.895 119.914 -0.254 0.000 2.720 555 V HA -0.108 4.013 4.120 0.001 0.000 0.256 555 V C 1.204 177.155 176.094 -0.238 0.000 1.082 555 V CA 1.547 63.705 62.300 -0.238 0.000 1.101 555 V CB -1.261 30.365 31.823 -0.329 0.000 0.693 555 V HN 0.868 nan 8.190 nan 0.000 0.479 556 Y N 0.346 120.649 120.300 0.006 0.000 2.616 556 Y HA 0.187 4.738 4.550 0.001 0.000 0.296 556 Y C 1.528 177.232 175.900 -0.326 0.000 1.154 556 Y CA -0.135 57.843 58.100 -0.203 0.000 1.325 556 Y CB -0.374 37.974 38.460 -0.187 0.000 1.007 556 Y HN 0.325 nan 8.280 nan 0.000 0.542 557 E N 1.910 122.129 120.200 0.032 0.000 1.944 557 E HA 0.100 4.451 4.350 0.001 0.000 0.272 557 E C -0.034 176.635 176.600 0.115 0.000 1.195 557 E CA 0.014 56.477 56.400 0.104 0.000 0.926 557 E CB 0.141 29.969 29.700 0.213 0.000 1.051 557 E HN 0.307 nan 8.360 nan 0.000 0.404 558 T N -0.427 114.162 114.554 0.059 0.000 2.864 558 T HA 0.107 4.457 4.350 0.001 0.000 0.289 558 T C 0.710 175.541 174.700 0.218 0.000 1.082 558 T CA -0.793 61.365 62.100 0.097 0.000 1.009 558 T CB 0.639 69.506 68.868 -0.001 0.000 1.234 558 T HN 0.387 nan 8.240 nan 0.000 0.526 559 Y N 1.123 121.530 120.300 0.177 0.000 2.165 559 Y HA -0.118 4.432 4.550 0.001 0.000 0.286 559 Y C 2.209 178.259 175.900 0.251 0.000 1.155 559 Y CA 2.191 60.435 58.100 0.239 0.000 1.164 559 Y CB -0.372 38.241 38.460 0.256 0.000 0.978 559 Y HN 0.781 nan 8.280 nan 0.000 0.513 560 E N 0.261 120.641 120.200 0.301 0.000 2.077 560 E HA -0.199 4.151 4.350 0.001 0.000 0.193 560 E C 2.019 178.723 176.600 0.173 0.000 0.989 560 E CA 1.275 57.807 56.400 0.221 0.000 0.800 560 E CB -0.664 29.279 29.700 0.404 0.000 0.746 560 E HN 0.516 nan 8.360 nan 0.000 0.452 561 L N -0.049 121.373 121.223 0.332 0.000 2.081 561 L HA -0.176 4.164 4.340 0.001 0.000 0.212 561 L C 1.885 178.951 176.870 0.326 0.000 1.080 561 L CA 1.524 56.642 54.840 0.463 0.000 0.754 561 L CB -0.252 41.973 42.059 0.276 0.000 0.893 561 L HN 0.033 nan 8.230 nan 0.000 0.433 562 V N -0.713 119.238 119.914 0.062 0.000 2.379 562 V HA -0.155 3.966 4.120 0.001 0.000 0.243 562 V C 2.521 178.460 176.094 -0.258 0.000 1.035 562 V CA 1.638 63.895 62.300 -0.072 0.000 1.035 562 V CB -0.533 31.198 31.823 -0.153 0.000 0.673 562 V HN 0.517 nan 8.190 nan 0.000 0.457 563 E N 0.499 120.470 120.200 -0.382 0.000 2.077 563 E HA -0.248 4.103 4.350 0.001 0.000 0.193 563 E C 2.211 178.662 176.600 -0.249 0.000 0.989 563 E CA 1.446 57.650 56.400 -0.327 0.000 0.800 563 E CB 0.068 29.563 29.700 -0.341 0.000 0.746 563 E HN 0.560 nan 8.360 nan 0.000 0.452 564 K N -0.864 119.343 120.400 -0.322 0.000 2.044 564 K HA -0.051 4.270 4.320 0.001 0.000 0.204 564 K C 1.760 178.076 176.600 -0.474 0.000 1.049 564 K CA 1.205 57.172 56.287 -0.534 0.000 0.945 564 K CB 0.035 31.921 32.500 -1.022 0.000 0.724 564 K HN 0.102 nan 8.250 nan 0.000 0.440 565 F N -2.067 117.919 119.950 0.060 0.000 2.694 565 F HA 0.176 4.704 4.527 0.001 0.000 0.292 565 F C 1.462 177.127 175.800 -0.226 0.000 1.121 565 F CA -0.013 57.987 58.000 0.000 0.000 1.352 565 F CB -0.022 39.059 39.000 0.134 0.000 1.107 565 F HN -0.058 nan 8.300 nan 0.000 0.597 566 Y N -0.858 119.417 120.300 -0.041 0.000 2.506 566 Y HA 0.178 4.729 4.550 0.001 0.000 0.287 566 Y C 0.203 175.990 175.900 -0.188 0.000 1.147 566 Y CA 0.446 58.441 58.100 -0.175 0.000 1.241 566 Y CB 0.687 39.021 38.460 -0.209 0.000 1.279 566 Y HN -0.220 nan 8.280 nan 0.000 0.527 567 D N -0.997 119.309 120.400 -0.157 0.000 2.934 567 D HA 0.161 4.802 4.640 0.001 0.000 0.249 567 D C -2.416 173.528 176.300 -0.594 0.000 1.293 567 D CA -1.489 52.329 54.000 -0.303 0.000 0.812 567 D CB 0.764 41.303 40.800 -0.434 0.000 1.439 567 D HN -0.092 nan 8.370 nan 0.000 0.555 568 P HA -0.133 nan 4.420 nan 0.000 0.217 568 P C 1.635 178.918 177.300 -0.028 0.000 1.150 568 P CA 0.804 63.803 63.100 -0.168 0.000 0.832 568 P CB 0.142 31.790 31.700 -0.086 0.000 0.787 569 M N -2.410 117.147 119.600 -0.071 0.000 2.296 569 M HA 0.048 4.528 4.480 0.001 0.000 0.265 569 M C 0.804 177.182 176.300 0.130 0.000 1.064 569 M CA 0.435 55.733 55.300 -0.004 0.000 1.109 569 M CB -1.757 30.778 32.600 -0.107 0.000 1.396 569 M HN -0.095 nan 8.290 nan 0.000 0.430 570 F N 0.432 120.278 119.950 -0.174 0.000 3.018 570 F HA -0.343 4.185 4.527 0.001 0.000 0.287 570 F C 1.424 177.138 175.800 -0.145 0.000 0.813 570 F CA 0.984 58.872 58.000 -0.186 0.000 1.209 570 F CB -1.815 37.095 39.000 -0.149 0.000 1.321 570 F HN 0.322 nan 8.300 nan 0.000 0.477 571 K N -1.305 118.986 120.400 -0.182 0.000 2.243 571 K HA -0.056 4.264 4.320 0.001 0.000 0.201 571 K C 1.378 177.749 176.600 -0.382 0.000 1.051 571 K CA 1.429 57.544 56.287 -0.287 0.000 0.970 571 K CB -0.273 31.979 32.500 -0.413 0.000 0.755 571 K HN 0.388 nan 8.250 nan 0.000 0.465 572 Y N 1.187 121.352 120.300 -0.225 0.000 2.243 572 Y HA -0.058 4.493 4.550 0.001 0.000 0.293 572 Y C 2.281 178.124 175.900 -0.095 0.000 1.124 572 Y CA 1.178 59.052 58.100 -0.377 0.000 1.159 572 Y CB -0.684 37.489 38.460 -0.480 0.000 1.008 572 Y HN 0.147 nan 8.280 nan 0.000 0.527 573 H N -0.598 118.483 119.070 0.017 0.000 2.319 573 H HA -0.175 4.382 4.556 0.001 0.000 0.297 573 H C 2.134 177.500 175.328 0.062 0.000 1.097 573 H CA 1.758 57.859 56.048 0.089 0.000 1.285 573 H CB -0.680 29.219 29.762 0.228 0.000 1.368 573 H HN 0.260 nan 8.280 nan 0.000 0.495 574 L N -0.191 121.120 121.223 0.146 0.000 2.093 574 L HA -0.102 4.238 4.340 0.001 0.000 0.208 574 L C 2.117 178.986 176.870 -0.001 0.000 1.085 574 L CA 1.708 56.575 54.840 0.044 0.000 0.755 574 L CB -0.712 41.340 42.059 -0.011 0.000 0.904 574 L HN 0.164 nan 8.230 nan 0.000 0.435 575 T N -1.253 113.288 114.554 -0.022 0.000 2.788 575 T HA -0.129 4.221 4.350 0.001 0.000 0.268 575 T C 1.902 176.628 174.700 0.043 0.000 1.044 575 T CA 1.560 63.656 62.100 -0.007 0.000 1.139 575 T CB -0.186 68.665 68.868 -0.028 0.000 0.867 575 T HN 0.199 nan 8.240 nan 0.000 0.454 576 V N 1.454 121.408 119.914 0.067 0.000 2.453 576 V HA -0.059 4.062 4.120 0.001 0.000 0.247 576 V C 2.793 178.920 176.094 0.054 0.000 1.048 576 V CA 1.425 63.768 62.300 0.071 0.000 1.049 576 V CB -0.991 30.875 31.823 0.072 0.000 0.672 576 V HN 0.491 nan 8.190 nan 0.000 0.457 577 A N -0.862 121.990 122.820 0.053 0.000 1.969 577 A HA -0.246 4.074 4.320 0.001 0.000 0.218 577 A C 2.171 179.794 177.584 0.065 0.000 1.169 577 A CA 1.668 53.743 52.037 0.064 0.000 0.635 577 A CB -0.332 18.695 19.000 0.046 0.000 0.810 577 A HN 0.620 nan 8.150 nan 0.000 0.445 578 Q N -0.773 119.044 119.800 0.029 0.000 2.163 578 Q HA -0.027 4.314 4.340 0.001 0.000 0.198 578 Q C 2.079 178.129 176.000 0.082 0.000 0.954 578 Q CA 1.231 57.050 55.803 0.026 0.000 0.851 578 Q CB -0.126 28.598 28.738 -0.023 0.000 0.928 578 Q HN 0.490 nan 8.270 nan 0.000 0.459 579 V N 0.934 120.884 119.914 0.059 0.000 2.358 579 V HA -0.244 3.877 4.120 0.001 0.000 0.246 579 V C 2.110 178.252 176.094 0.080 0.000 1.047 579 V CA 1.768 64.098 62.300 0.050 0.000 1.035 579 V CB -0.390 31.427 31.823 -0.010 0.000 0.658 579 V HN 0.266 nan 8.190 nan 0.000 0.452 580 R N 0.116 120.671 120.500 0.091 0.000 2.062 580 R HA -0.008 4.333 4.340 0.001 0.000 0.229 580 R C 2.523 178.933 176.300 0.184 0.000 1.128 580 R CA 1.313 57.476 56.100 0.104 0.000 0.960 580 R CB -0.864 29.492 30.300 0.092 0.000 0.855 580 R HN 0.552 nan 8.270 nan 0.000 0.432 581 G N 0.128 109.091 108.800 0.272 0.000 2.422 581 G HA2 -0.216 3.744 3.960 0.001 0.000 0.218 581 G HA3 -0.216 3.744 3.960 0.001 0.000 0.218 581 G C 1.442 176.580 174.900 0.397 0.000 1.146 581 G CA 0.867 46.243 45.100 0.460 0.000 0.769 581 G HN 0.459 nan 8.290 nan 0.000 0.547 582 G N 0.301 109.303 108.800 0.337 0.000 2.421 582 G HA2 -0.055 3.906 3.960 0.001 0.000 0.217 582 G HA3 -0.055 3.906 3.960 0.001 0.000 0.217 582 G C 1.847 176.887 174.900 0.233 0.000 1.143 582 G CA 0.686 45.947 45.100 0.268 0.000 0.784 582 G HN 0.399 nan 8.290 nan 0.000 0.541 583 M N 0.067 119.776 119.600 0.181 0.000 2.086 583 M HA -0.058 4.423 4.480 0.001 0.000 0.261 583 M C 2.681 179.062 176.300 0.135 0.000 1.067 583 M CA 1.050 56.437 55.300 0.145 0.000 1.116 583 M CB -0.319 32.345 32.600 0.106 0.000 1.348 583 M HN 0.096 nan 8.290 nan 0.000 0.407 584 V N -0.090 119.907 119.914 0.138 0.000 2.295 584 V HA -0.287 3.834 4.120 0.001 0.000 0.246 584 V C 2.092 178.237 176.094 0.086 0.000 1.049 584 V CA 1.953 64.300 62.300 0.078 0.000 1.024 584 V CB -0.712 31.171 31.823 0.099 0.000 0.648 584 V HN 0.368 nan 8.190 nan 0.000 0.447 585 F N 0.936 120.928 119.950 0.070 0.000 2.043 585 F HA -0.222 4.305 4.527 0.001 0.000 0.297 585 F C 2.612 178.446 175.800 0.057 0.000 1.121 585 F CA 2.196 60.233 58.000 0.062 0.000 1.199 585 F CB -0.181 38.771 39.000 -0.080 0.000 0.968 585 F HN 0.093 nan 8.300 nan 0.000 0.478 586 E N 0.477 120.868 120.200 0.319 0.000 2.097 586 E HA -0.221 4.130 4.350 0.001 0.000 0.196 586 E C 2.348 178.962 176.600 0.024 0.000 1.000 586 E CA 1.543 58.062 56.400 0.198 0.000 0.804 586 E CB -0.650 29.156 29.700 0.176 0.000 0.740 586 E HN 0.475 nan 8.360 nan 0.000 0.454 587 L N -0.196 121.022 121.223 -0.008 0.000 2.109 587 L HA -0.056 4.285 4.340 0.001 0.000 0.207 587 L C 2.271 179.060 176.870 -0.135 0.000 1.086 587 L CA 1.013 55.805 54.840 -0.081 0.000 0.760 587 L CB -0.248 41.790 42.059 -0.034 0.000 0.910 587 L HN 0.013 nan 8.230 nan 0.000 0.437 588 A N -1.064 121.656 122.820 -0.166 0.000 2.208 588 A HA -0.061 4.259 4.320 0.001 0.000 0.209 588 A C 1.728 179.161 177.584 -0.252 0.000 1.161 588 A CA 1.306 53.206 52.037 -0.228 0.000 0.782 588 A CB -0.280 18.541 19.000 -0.299 0.000 0.816 588 A HN 0.431 nan 8.150 nan 0.000 0.477 589 N N -1.734 116.824 118.700 -0.238 0.000 2.324 589 N HA 0.061 4.802 4.740 0.001 0.000 0.235 589 N C 0.585 176.045 175.510 -0.083 0.000 1.162 589 N CA 0.629 53.554 53.050 -0.209 0.000 0.834 589 N CB 0.543 38.812 38.487 -0.363 0.000 1.354 589 N HN 0.216 nan 8.380 nan 0.000 0.471 590 S N 0.077 115.748 115.700 -0.048 0.000 2.563 590 S HA 0.095 4.565 4.470 0.001 0.000 0.284 590 S C 1.490 176.070 174.600 -0.033 0.000 1.331 590 S CA -0.222 57.974 58.200 -0.007 0.000 1.047 590 S CB 0.223 63.423 63.200 0.001 0.000 0.859 590 S HN 0.214 nan 8.310 nan 0.000 0.514 591 I N 3.233 123.797 120.570 -0.010 0.000 2.277 591 I HA 0.004 4.175 4.170 0.001 0.000 0.243 591 I C 0.342 176.463 176.117 0.007 0.000 1.094 591 I CA 0.529 61.824 61.300 -0.007 0.000 1.393 591 I CB -0.010 37.990 38.000 -0.000 0.000 1.078 591 I HN 0.416 nan 8.210 nan 0.000 0.417 592 V N 2.951 122.878 119.914 0.021 0.000 2.498 592 V HA 0.140 4.261 4.120 0.001 0.000 0.279 592 V C 0.304 176.374 176.094 -0.040 0.000 1.048 592 V CA -0.655 61.670 62.300 0.041 0.000 0.967 592 V CB 1.169 33.045 31.823 0.089 0.000 0.988 592 V HN 0.120 nan 8.190 nan 0.000 0.473 593 L N 7.578 128.736 121.223 -0.108 0.000 2.578 593 L HA 0.107 4.447 4.340 0.001 0.000 0.279 593 L C -1.551 175.160 176.870 -0.265 0.000 1.227 593 L CA -0.854 53.794 54.840 -0.320 0.000 0.900 593 L CB 0.496 42.241 42.059 -0.522 0.000 1.144 593 L HN 0.531 nan 8.230 nan 0.000 0.496 594 P HA 0.157 nan 4.420 nan 0.000 0.218 594 P C -0.945 176.434 177.300 0.132 0.000 1.793 594 P CA 0.040 63.106 63.100 -0.056 0.000 0.941 594 P CB -0.264 31.431 31.700 -0.008 0.000 1.919 595 F N 0.313 120.327 119.950 0.106 0.000 2.508 595 F HA 0.464 4.992 4.527 0.001 0.000 0.325 595 F C 0.556 176.437 175.800 0.134 0.000 1.090 595 F CA -1.704 56.365 58.000 0.114 0.000 0.945 595 F CB 1.531 40.609 39.000 0.130 0.000 1.156 595 F HN -0.100 nan 8.300 nan 0.000 0.463 596 D N 1.439 122.028 120.400 0.315 0.000 2.469 596 D HA 0.212 4.853 4.640 0.001 0.000 0.251 596 D C 0.739 177.175 176.300 0.226 0.000 1.173 596 D CA -0.262 53.880 54.000 0.238 0.000 0.882 596 D CB 1.398 42.296 40.800 0.164 0.000 1.129 596 D HN 0.662 nan 8.370 nan 0.000 0.549 597 C N 3.092 122.558 119.300 0.276 0.000 2.481 597 C HA 0.173 4.633 4.460 0.001 0.000 0.275 597 C C 2.149 177.346 174.990 0.344 0.000 1.419 597 C CA -0.158 59.048 59.018 0.313 0.000 1.773 597 C CB -0.700 27.167 27.740 0.213 0.000 1.862 597 C HN 0.548 nan 8.230 nan 0.000 0.530 598 R N 1.384 122.037 120.500 0.256 0.000 2.120 598 R HA -0.078 4.263 4.340 0.001 0.000 0.234 598 R C 1.684 178.106 176.300 0.203 0.000 1.123 598 R CA 1.754 57.995 56.100 0.234 0.000 0.975 598 R CB -0.362 30.041 30.300 0.170 0.000 0.866 598 R HN 0.573 nan 8.270 nan 0.000 0.446 599 D N -0.272 120.213 120.400 0.140 0.000 2.178 599 D HA -0.185 4.456 4.640 0.001 0.000 0.201 599 D C 1.471 177.762 176.300 -0.015 0.000 0.980 599 D CA 1.199 55.221 54.000 0.037 0.000 0.842 599 D CB -0.097 40.646 40.800 -0.096 0.000 0.948 599 D HN 0.207 nan 8.370 nan 0.000 0.472 600 Y N 1.451 121.757 120.300 0.011 0.000 2.242 600 Y HA -0.078 4.473 4.550 0.001 0.000 0.291 600 Y C 2.401 178.222 175.900 -0.131 0.000 1.137 600 Y CA 0.729 58.790 58.100 -0.064 0.000 1.181 600 Y CB -0.520 37.969 38.460 0.048 0.000 0.989 600 Y HN -0.078 nan 8.280 nan 0.000 0.527 601 A N -0.846 122.153 122.820 0.299 0.000 1.883 601 A HA -0.190 4.131 4.320 0.001 0.000 0.217 601 A C 2.437 180.083 177.584 0.103 0.000 1.186 601 A CA 2.159 54.344 52.037 0.247 0.000 0.624 601 A CB -1.275 17.979 19.000 0.423 0.000 0.822 601 A HN 0.243 nan 8.150 nan 0.000 0.444 602 V N 0.188 120.152 119.914 0.084 0.000 2.261 602 V HA -0.252 3.868 4.120 0.001 0.000 0.246 602 V C 2.761 178.812 176.094 -0.071 0.000 1.047 602 V CA 2.132 64.454 62.300 0.036 0.000 1.015 602 V CB -0.958 30.901 31.823 0.060 0.000 0.642 602 V HN 0.637 nan 8.190 nan 0.000 0.446 603 V N -1.846 117.964 119.914 -0.172 0.000 2.626 603 V HA -0.151 3.970 4.120 0.001 0.000 0.252 603 V C 2.165 177.826 176.094 -0.721 0.000 1.067 603 V CA 1.605 63.597 62.300 -0.513 0.000 1.081 603 V CB -0.812 30.645 31.823 -0.611 0.000 0.686 603 V HN 0.453 nan 8.190 nan 0.000 0.468 604 L N -0.641 120.385 121.223 -0.327 0.000 2.046 604 L HA -0.087 4.253 4.340 0.001 0.000 0.208 604 L C 3.071 179.944 176.870 0.006 0.000 1.077 604 L CA 1.614 56.360 54.840 -0.156 0.000 0.747 604 L CB -0.633 41.336 42.059 -0.150 0.000 0.896 604 L HN 0.270 nan 8.230 nan 0.000 0.432 605 R N 0.511 121.017 120.500 0.010 0.000 2.080 605 R HA -0.157 4.184 4.340 0.001 0.000 0.236 605 R C 2.471 178.845 176.300 0.124 0.000 1.137 605 R CA 1.546 57.713 56.100 0.112 0.000 0.943 605 R CB -0.508 29.855 30.300 0.106 0.000 0.846 605 R HN 0.136 nan 8.270 nan 0.000 0.431 606 K N -0.335 120.070 120.400 0.008 0.000 2.044 606 K HA -0.159 4.162 4.320 0.001 0.000 0.210 606 K C 2.264 178.988 176.600 0.207 0.000 1.049 606 K CA 1.739 58.058 56.287 0.053 0.000 0.927 606 K CB -0.770 31.693 32.500 -0.061 0.000 0.713 606 K HN 0.376 nan 8.250 nan 0.000 0.443 607 Y N 0.186 120.570 120.300 0.140 0.000 2.352 607 Y HA 0.083 4.633 4.550 0.001 0.000 0.292 607 Y C 2.547 178.664 175.900 0.362 0.000 1.136 607 Y CA 0.109 58.317 58.100 0.180 0.000 1.227 607 Y CB -1.271 37.167 38.460 -0.036 0.000 0.991 607 Y HN 0.213 nan 8.280 nan 0.000 0.545 608 A N 0.102 123.189 122.820 0.444 0.000 1.872 608 A HA -0.125 4.196 4.320 0.001 0.000 0.214 608 A C 2.001 179.695 177.584 0.184 0.000 1.187 608 A CA 1.612 53.734 52.037 0.141 0.000 0.614 608 A CB -0.622 18.268 19.000 -0.183 0.000 0.826 608 A HN 0.274 nan 8.150 nan 0.000 0.442 609 D N -0.182 120.419 120.400 0.335 0.000 2.104 609 D HA -0.139 4.502 4.640 0.001 0.000 0.194 609 D C 2.071 178.548 176.300 0.296 0.000 0.994 609 D CA 1.761 55.979 54.000 0.363 0.000 0.830 609 D CB -0.392 40.566 40.800 0.262 0.000 0.959 609 D HN 0.315 nan 8.370 nan 0.000 0.452 610 K N 0.387 120.949 120.400 0.270 0.000 2.020 610 K HA -0.154 4.167 4.320 0.001 0.000 0.212 610 K C 2.210 178.945 176.600 0.225 0.000 1.050 610 K CA 0.770 57.201 56.287 0.241 0.000 0.929 610 K CB -0.899 31.758 32.500 0.261 0.000 0.714 610 K HN 0.168 nan 8.250 nan 0.000 0.443 611 I N -0.057 120.663 120.570 0.250 0.000 2.353 611 I HA -0.024 4.147 4.170 0.001 0.000 0.248 611 I C 1.994 178.127 176.117 0.027 0.000 1.119 611 I CA 1.203 62.641 61.300 0.229 0.000 1.417 611 I CB -0.517 37.678 38.000 0.326 0.000 1.078 611 I HN 0.482 nan 8.210 nan 0.000 0.421 612 Y N 0.999 121.135 120.300 -0.272 0.000 2.081 612 Y HA -0.330 4.221 4.550 0.001 0.000 0.280 612 Y C 2.684 178.450 175.900 -0.222 0.000 1.163 612 Y CA 2.132 59.873 58.100 -0.600 0.000 1.135 612 Y CB -0.735 37.563 38.460 -0.270 0.000 0.970 612 Y HN 0.195 nan 8.280 nan 0.000 0.498 613 S N 0.521 116.189 115.700 -0.054 0.000 2.374 613 S HA -0.247 4.224 4.470 0.001 0.000 0.227 613 S C 2.059 176.621 174.600 -0.063 0.000 1.037 613 S CA 1.881 60.041 58.200 -0.067 0.000 1.024 613 S CB -0.640 62.598 63.200 0.065 0.000 0.861 613 S HN 0.525 nan 8.310 nan 0.000 0.456 614 I N 0.834 121.419 120.570 0.026 0.000 2.394 614 I HA -0.131 4.039 4.170 0.001 0.000 0.251 614 I C 2.598 178.786 176.117 0.119 0.000 1.136 614 I CA 0.859 62.211 61.300 0.086 0.000 1.425 614 I CB -0.239 37.861 38.000 0.167 0.000 1.079 614 I HN 0.268 nan 8.210 nan 0.000 0.425 615 S N 0.335 116.096 115.700 0.102 0.000 2.387 615 S HA -0.087 4.384 4.470 0.001 0.000 0.226 615 S C 1.972 176.658 174.600 0.144 0.000 1.026 615 S CA 0.950 59.318 58.200 0.280 0.000 0.972 615 S CB 0.005 63.415 63.200 0.349 0.000 0.814 615 S HN 0.223 nan 8.310 nan 0.000 0.477 616 M N 1.392 120.891 119.600 -0.169 0.000 2.632 616 M HA 0.101 4.582 4.480 0.001 0.000 0.256 616 M C 1.335 177.549 176.300 -0.142 0.000 1.080 616 M CA 0.847 56.016 55.300 -0.219 0.000 1.084 616 M CB -0.896 31.467 32.600 -0.395 0.000 1.439 616 M HN 0.270 nan 8.290 nan 0.000 0.509 617 K N -0.410 119.885 120.400 -0.174 0.000 2.504 617 K HA -0.059 4.262 4.320 0.001 0.000 0.195 617 K C 0.010 176.294 176.600 -0.527 0.000 1.036 617 K CA 0.664 56.749 56.287 -0.336 0.000 0.984 617 K CB 0.070 32.331 32.500 -0.399 0.000 0.788 617 K HN 0.461 nan 8.250 nan 0.000 0.488 618 H N -0.673 118.431 119.070 0.055 0.000 2.386 618 H HA 0.147 4.704 4.556 0.001 0.000 0.232 618 H C -2.275 173.007 175.328 -0.077 0.000 1.416 618 H CA -1.845 54.227 56.048 0.041 0.000 1.285 618 H CB 0.894 30.780 29.762 0.208 0.000 1.625 618 H HN 0.017 nan 8.280 nan 0.000 0.521 619 P HA -0.163 nan 4.420 nan 0.000 0.217 619 P C 1.934 179.184 177.300 -0.082 0.000 1.150 619 P CA 1.029 64.100 63.100 -0.047 0.000 0.832 619 P CB 0.606 32.280 31.700 -0.042 0.000 0.787 620 Q N 0.854 120.605 119.800 -0.081 0.000 2.050 620 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 620 Q C 1.946 177.817 176.000 -0.214 0.000 0.980 620 Q CA 1.926 57.659 55.803 -0.117 0.000 0.840 620 Q CB -0.912 27.776 28.738 -0.083 0.000 0.898 620 Q HN 0.139 nan 8.270 nan 0.000 0.424 621 E N -0.562 119.469 120.200 -0.281 0.000 2.150 621 E HA -0.101 4.250 4.350 0.001 0.000 0.193 621 E C 1.920 178.170 176.600 -0.584 0.000 0.985 621 E CA 1.364 57.450 56.400 -0.524 0.000 0.814 621 E CB -0.137 29.093 29.700 -0.783 0.000 0.752 621 E HN 0.429 nan 8.360 nan 0.000 0.466 622 M N 0.189 119.519 119.600 -0.450 0.000 2.213 622 M HA -0.162 4.319 4.480 0.001 0.000 0.263 622 M C 1.815 178.039 176.300 -0.127 0.000 1.062 622 M CA 1.431 56.593 55.300 -0.231 0.000 1.105 622 M CB -0.157 32.407 32.600 -0.059 0.000 1.385 622 M HN -0.018 nan 8.290 nan 0.000 0.417 623 K N -0.406 119.904 120.400 -0.150 0.000 2.031 623 K HA -0.047 4.274 4.320 0.001 0.000 0.205 623 K C 1.967 178.463 176.600 -0.174 0.000 1.049 623 K CA 1.690 57.907 56.287 -0.117 0.000 0.939 623 K CB -0.381 32.055 32.500 -0.106 0.000 0.717 623 K HN 0.249 nan 8.250 nan 0.000 0.438 624 T N 0.425 114.790 114.554 -0.315 0.000 2.746 624 T HA -0.143 4.207 4.350 0.001 0.000 0.267 624 T C 1.218 175.621 174.700 -0.496 0.000 1.039 624 T CA 1.420 63.229 62.100 -0.485 0.000 1.142 624 T CB -0.229 68.146 68.868 -0.820 0.000 0.866 624 T HN 0.195 nan 8.240 nan 0.000 0.444 625 Y N 1.003 121.223 120.300 -0.132 0.000 2.458 625 Y HA 0.344 4.895 4.550 0.001 0.000 0.256 625 Y C 1.156 177.038 175.900 -0.030 0.000 1.159 625 Y CA -0.920 57.140 58.100 -0.067 0.000 1.261 625 Y CB -0.307 38.119 38.460 -0.056 0.000 1.119 625 Y HN 0.048 nan 8.280 nan 0.000 0.524 626 S N -0.530 115.205 115.700 0.058 0.000 3.783 626 S HA -0.128 4.343 4.470 0.001 0.000 0.360 626 S C -0.226 174.428 174.600 0.090 0.000 1.006 626 S CA 0.240 58.474 58.200 0.057 0.000 1.115 626 S CB -2.378 60.848 63.200 0.044 0.000 0.893 626 S HN 0.121 nan 8.310 nan 0.000 0.475 627 V N 1.700 121.681 119.914 0.111 0.000 2.352 627 V HA 0.441 4.561 4.120 0.001 0.000 0.253 627 V C 0.735 176.934 176.094 0.176 0.000 1.083 627 V CA 0.117 62.503 62.300 0.144 0.000 0.993 627 V CB 1.110 33.069 31.823 0.226 0.000 1.111 627 V HN 0.634 nan 8.190 nan 0.000 0.490 628 S N 3.855 119.620 115.700 0.109 0.000 2.489 628 S HA 0.591 5.061 4.470 0.001 0.000 0.291 628 S C 0.118 174.774 174.600 0.094 0.000 1.151 628 S CA -0.550 57.761 58.200 0.184 0.000 1.082 628 S CB 0.670 63.949 63.200 0.131 0.000 1.019 628 S HN 0.508 nan 8.310 nan 0.000 0.492 629 F N 2.162 122.270 119.950 0.265 0.000 2.660 629 F HA 0.223 4.751 4.527 0.001 0.000 0.302 629 F C 1.394 177.342 175.800 0.247 0.000 1.103 629 F CA -0.371 57.770 58.000 0.236 0.000 1.340 629 F CB 0.319 39.548 39.000 0.381 0.000 1.048 629 F HN 0.507 nan 8.300 nan 0.000 0.551 630 D N 0.115 120.711 120.400 0.326 0.000 2.097 630 D HA -0.191 4.449 4.640 0.001 0.000 0.195 630 D C 2.453 178.880 176.300 0.211 0.000 0.989 630 D CA 1.952 56.113 54.000 0.269 0.000 0.827 630 D CB -0.467 40.432 40.800 0.164 0.000 0.966 630 D HN 0.247 nan 8.370 nan 0.000 0.456 631 S N 0.390 116.172 115.700 0.137 0.000 2.370 631 S HA -0.184 4.287 4.470 0.001 0.000 0.226 631 S C 1.985 176.631 174.600 0.077 0.000 1.033 631 S CA 0.825 59.088 58.200 0.104 0.000 1.011 631 S CB -0.615 62.639 63.200 0.091 0.000 0.852 631 S HN 0.210 nan 8.310 nan 0.000 0.457 632 L N 0.355 121.586 121.223 0.013 0.000 2.072 632 L HA 0.244 4.585 4.340 0.001 0.000 0.205 632 L C 2.050 178.839 176.870 -0.135 0.000 1.079 632 L CA 1.443 56.212 54.840 -0.118 0.000 0.752 632 L CB -1.032 40.864 42.059 -0.272 0.000 0.906 632 L HN 0.248 nan 8.230 nan 0.000 0.436 633 F N -0.850 119.151 119.950 0.085 0.000 2.186 633 F HA -0.155 4.373 4.527 0.001 0.000 0.299 633 F C 2.948 178.790 175.800 0.069 0.000 1.090 633 F CA 1.526 59.564 58.000 0.064 0.000 1.307 633 F CB -1.186 37.829 39.000 0.025 0.000 1.019 633 F HN 0.170 nan 8.300 nan 0.000 0.489 634 S N -0.039 115.803 115.700 0.237 0.000 2.356 634 S HA -0.194 4.276 4.470 0.001 0.000 0.223 634 S C 2.375 177.059 174.600 0.141 0.000 1.032 634 S CA 1.209 59.508 58.200 0.164 0.000 1.005 634 S CB -0.616 62.664 63.200 0.134 0.000 0.867 634 S HN 0.295 nan 8.310 nan 0.000 0.449 635 A N 0.862 123.755 122.820 0.122 0.000 1.883 635 A HA -0.053 4.267 4.320 0.001 0.000 0.217 635 A C 2.369 180.054 177.584 0.167 0.000 1.186 635 A CA 2.000 54.109 52.037 0.121 0.000 0.624 635 A CB -1.191 17.860 19.000 0.086 0.000 0.822 635 A HN 0.473 nan 8.150 nan 0.000 0.444 636 V N 0.562 120.567 119.914 0.151 0.000 2.407 636 V HA -0.256 3.864 4.120 0.001 0.000 0.248 636 V C 2.597 178.828 176.094 0.228 0.000 1.055 636 V CA 2.303 64.712 62.300 0.182 0.000 1.049 636 V CB -0.623 31.284 31.823 0.141 0.000 0.662 636 V HN 0.669 nan 8.190 nan 0.000 0.455 637 K N 0.427 120.947 120.400 0.200 0.000 2.026 637 K HA -0.217 4.104 4.320 0.001 0.000 0.208 637 K C 1.973 178.668 176.600 0.159 0.000 1.048 637 K CA 1.883 58.273 56.287 0.171 0.000 0.929 637 K CB -0.277 32.308 32.500 0.142 0.000 0.713 637 K HN 0.437 nan 8.250 nan 0.000 0.439 638 N N 0.683 119.471 118.700 0.148 0.000 2.149 638 N HA -0.176 4.565 4.740 0.001 0.000 0.188 638 N C 1.625 177.208 175.510 0.122 0.000 1.019 638 N CA 1.080 54.197 53.050 0.112 0.000 0.857 638 N CB -0.574 37.967 38.487 0.090 0.000 0.997 638 N HN 0.207 nan 8.380 nan 0.000 0.426 639 F N 1.881 121.860 119.950 0.048 0.000 2.102 639 F HA -0.207 4.321 4.527 0.001 0.000 0.298 639 F C 2.239 178.076 175.800 0.061 0.000 1.105 639 F CA 1.434 59.459 58.000 0.042 0.000 1.239 639 F CB -0.550 38.488 39.000 0.063 0.000 0.991 639 F HN -0.035 nan 8.300 nan 0.000 0.474 640 T N -0.026 114.731 114.554 0.339 0.000 2.665 640 T HA -0.260 4.090 4.350 0.001 0.000 0.268 640 T C 1.721 176.491 174.700 0.116 0.000 1.035 640 T CA 2.005 64.246 62.100 0.235 0.000 1.151 640 T CB -0.433 68.556 68.868 0.202 0.000 0.862 640 T HN 0.392 nan 8.240 nan 0.000 0.438 641 E N 0.271 120.522 120.200 0.084 0.000 2.072 641 E HA -0.033 4.318 4.350 0.001 0.000 0.191 641 E C 2.217 178.829 176.600 0.019 0.000 0.985 641 E CA 0.902 57.333 56.400 0.052 0.000 0.801 641 E CB -0.213 29.516 29.700 0.048 0.000 0.750 641 E HN 0.472 nan 8.360 nan 0.000 0.452 642 I N 0.777 121.327 120.570 -0.033 0.000 2.353 642 I HA -0.211 3.960 4.170 0.001 0.000 0.248 642 I C 2.447 178.524 176.117 -0.067 0.000 1.119 642 I CA 0.719 61.976 61.300 -0.072 0.000 1.417 642 I CB -0.185 37.721 38.000 -0.155 0.000 1.078 642 I HN 0.087 nan 8.210 nan 0.000 0.421 643 A N -0.178 122.559 122.820 -0.139 0.000 1.898 643 A HA -0.190 4.130 4.320 0.001 0.000 0.216 643 A C 2.451 180.105 177.584 0.117 0.000 1.181 643 A CA 1.889 53.891 52.037 -0.058 0.000 0.620 643 A CB -0.798 18.148 19.000 -0.090 0.000 0.819 643 A HN 0.317 nan 8.150 nan 0.000 0.442 644 S N -0.391 115.364 115.700 0.091 0.000 2.401 644 S HA -0.246 4.224 4.470 0.001 0.000 0.236 644 S C 2.268 176.917 174.600 0.080 0.000 1.058 644 S CA 2.236 60.489 58.200 0.088 0.000 1.151 644 S CB -0.263 62.979 63.200 0.071 0.000 1.049 644 S HN 0.592 nan 8.310 nan 0.000 0.432 645 K N 0.093 120.535 120.400 0.069 0.000 2.097 645 K HA -0.035 4.286 4.320 0.001 0.000 0.206 645 K C 1.738 178.377 176.600 0.066 0.000 1.049 645 K CA 1.346 57.666 56.287 0.055 0.000 0.933 645 K CB -0.994 31.532 32.500 0.045 0.000 0.717 645 K HN 0.616 nan 8.250 nan 0.000 0.442 646 F N 2.213 122.147 119.950 -0.026 0.000 2.146 646 F HA -0.200 4.328 4.527 0.001 0.000 0.298 646 F C 2.259 178.067 175.800 0.014 0.000 1.096 646 F CA 1.798 59.784 58.000 -0.023 0.000 1.275 646 F CB -0.304 38.663 39.000 -0.055 0.000 1.008 646 F HN 0.183 nan 8.300 nan 0.000 0.480 647 S N -0.308 115.417 115.700 0.042 0.000 2.406 647 S HA -0.159 4.312 4.470 0.001 0.000 0.228 647 S C 1.722 176.286 174.600 -0.061 0.000 1.020 647 S CA 1.096 59.282 58.200 -0.025 0.000 0.965 647 S CB -0.625 62.635 63.200 0.100 0.000 0.798 647 S HN 0.542 nan 8.310 nan 0.000 0.488 648 E N 1.592 121.773 120.200 -0.032 0.000 2.085 648 E HA -0.127 4.224 4.350 0.001 0.000 0.194 648 E C 2.369 178.941 176.600 -0.046 0.000 0.994 648 E CA 1.064 57.451 56.400 -0.022 0.000 0.801 648 E CB -0.148 29.550 29.700 -0.003 0.000 0.743 648 E HN 0.484 nan 8.360 nan 0.000 0.453 649 R N 0.129 120.563 120.500 -0.111 0.000 2.148 649 R HA -0.098 4.243 4.340 0.001 0.000 0.227 649 R C 2.324 178.584 176.300 -0.067 0.000 1.103 649 R CA 0.574 56.606 56.100 -0.114 0.000 0.983 649 R CB -0.239 29.941 30.300 -0.200 0.000 0.874 649 R HN 0.130 nan 8.270 nan 0.000 0.451 650 L N 1.392 122.509 121.223 -0.176 0.000 2.156 650 L HA -0.121 4.220 4.340 0.001 0.000 0.208 650 L C 2.058 179.054 176.870 0.210 0.000 1.095 650 L CA 1.662 56.503 54.840 0.002 0.000 0.770 650 L CB -0.190 41.758 42.059 -0.186 0.000 0.914 650 L HN 0.100 nan 8.230 nan 0.000 0.439 651 Q N -0.767 119.068 119.800 0.058 0.000 2.083 651 Q HA -0.108 4.232 4.340 0.001 0.000 0.198 651 Q C 0.085 176.074 176.000 -0.019 0.000 0.969 651 Q CA 1.196 57.002 55.803 0.005 0.000 0.838 651 Q CB -0.030 28.706 28.738 -0.003 0.000 0.900 651 Q HN 0.438 nan 8.270 nan 0.000 0.436 652 D N 0.825 121.250 120.400 0.041 0.000 2.934 652 D HA 0.168 4.809 4.640 0.001 0.000 0.237 652 D C -0.605 175.763 176.300 0.114 0.000 1.158 652 D CA 0.226 54.249 54.000 0.037 0.000 0.971 652 D CB -0.650 40.174 40.800 0.040 0.000 1.123 652 D HN 0.099 nan 8.370 nan 0.000 0.467 653 F N -1.556 118.368 119.950 -0.045 0.000 2.713 653 F HA 0.440 4.967 4.527 0.001 0.000 0.311 653 F C -1.243 174.540 175.800 -0.029 0.000 1.141 653 F CA -1.295 56.681 58.000 -0.039 0.000 0.939 653 F CB 1.059 40.028 39.000 -0.052 0.000 1.325 653 F HN -0.292 nan 8.300 nan 0.000 0.453 658 P HA -0.045 nan 4.420 nan 0.000 0.217 658 P C 1.538 178.862 177.300 0.040 0.000 1.150 658 P CA 0.595 63.724 63.100 0.049 0.000 0.832 658 P CB 0.465 32.179 31.700 0.024 0.000 0.787 659 I N -0.746 119.840 120.570 0.027 0.000 2.252 659 I HA -0.130 4.041 4.170 0.001 0.000 0.245 659 I C 2.361 178.473 176.117 -0.009 0.000 1.102 659 I CA 1.155 62.460 61.300 0.009 0.000 1.385 659 I CB -1.551 36.452 38.000 0.005 0.000 1.064 659 I HN -0.163 nan 8.210 nan 0.000 0.414 660 V N 0.877 120.788 119.914 -0.006 0.000 2.594 660 V HA -0.223 3.897 4.120 0.001 0.000 0.253 660 V C 2.426 178.417 176.094 -0.171 0.000 1.069 660 V CA 1.106 63.354 62.300 -0.087 0.000 1.082 660 V CB -0.580 31.207 31.823 -0.060 0.000 0.680 660 V HN 0.312 nan 8.190 nan 0.000 0.469 661 L N -0.016 121.210 121.223 0.006 0.000 2.007 661 L HA -0.019 4.321 4.340 0.001 0.000 0.205 661 L C 2.519 179.389 176.870 -0.001 0.000 1.073 661 L CA 1.841 56.731 54.840 0.085 0.000 0.744 661 L CB -0.961 41.221 42.059 0.205 0.000 0.898 661 L HN 0.075 nan 8.230 nan 0.000 0.435 662 R N 0.000 120.503 120.500 0.004 0.000 2.134 662 R HA -0.267 4.073 4.340 0.001 0.000 0.248 662 R C 2.346 178.642 176.300 -0.008 0.000 1.143 662 R CA 2.534 58.631 56.100 -0.006 0.000 0.957 662 R CB -1.009 29.290 30.300 -0.002 0.000 0.867 662 R HN 0.681 nan 8.270 nan 0.000 0.441 663 M N -0.867 118.717 119.600 -0.027 0.000 2.099 663 M HA -0.144 4.337 4.480 0.001 0.000 0.262 663 M C 1.861 178.161 176.300 0.001 0.000 1.067 663 M CA 1.726 57.019 55.300 -0.012 0.000 1.124 663 M CB -0.098 32.479 32.600 -0.038 0.000 1.353 663 M HN -0.020 nan 8.290 nan 0.000 0.410 664 M N 0.485 120.042 119.600 -0.072 0.000 2.229 664 M HA -0.106 4.375 4.480 0.001 0.000 0.264 664 M C 1.585 177.945 176.300 0.100 0.000 1.063 664 M CA 1.247 56.536 55.300 -0.018 0.000 1.114 664 M CB -1.401 31.010 32.600 -0.316 0.000 1.387 664 M HN 0.411 nan 8.290 nan 0.000 0.420 665 N N 0.996 119.719 118.700 0.038 0.000 2.216 665 N HA -0.123 4.618 4.740 0.001 0.000 0.183 665 N C 1.227 176.741 175.510 0.007 0.000 1.017 665 N CA 1.162 54.230 53.050 0.029 0.000 0.861 665 N CB -0.311 38.167 38.487 -0.014 0.000 0.986 665 N HN 0.272 nan 8.380 nan 0.000 0.428 666 D N 0.934 121.343 120.400 0.014 0.000 2.117 666 D HA -0.105 4.536 4.640 0.001 0.000 0.197 666 D C 1.917 178.287 176.300 0.118 0.000 0.987 666 D CA 0.829 54.842 54.000 0.020 0.000 0.829 666 D CB -0.167 40.736 40.800 0.171 0.000 0.961 666 D HN 0.357 nan 8.370 nan 0.000 0.460 667 Q N -0.412 119.467 119.800 0.131 0.000 2.084 667 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 667 Q C 1.988 178.008 176.000 0.034 0.000 0.978 667 Q CA 0.619 56.472 55.803 0.084 0.000 0.844 667 Q CB -0.010 28.752 28.738 0.040 0.000 0.898 667 Q HN 0.172 nan 8.270 nan 0.000 0.426 668 L N 0.210 121.499 121.223 0.111 0.000 2.046 668 L HA -0.167 4.174 4.340 0.001 0.000 0.208 668 L C 2.213 179.250 176.870 0.277 0.000 1.077 668 L CA 1.693 56.665 54.840 0.220 0.000 0.747 668 L CB -0.797 41.434 42.059 0.286 0.000 0.896 668 L HN 0.350 nan 8.230 nan 0.000 0.432 669 M N -2.166 117.503 119.600 0.115 0.000 2.132 669 M HA -0.205 4.275 4.480 0.001 0.000 0.263 669 M C 1.716 177.953 176.300 -0.105 0.000 1.065 669 M CA 1.689 56.994 55.300 0.008 0.000 1.122 669 M CB -0.083 32.335 32.600 -0.304 0.000 1.365 669 M HN 0.096 nan 8.290 nan 0.000 0.411 670 F N 0.037 120.026 119.950 0.066 0.000 2.811 670 F HA 0.009 4.536 4.527 0.001 0.000 0.301 670 F C 1.636 177.403 175.800 -0.054 0.000 1.151 670 F CA 0.203 58.203 58.000 -0.000 0.000 1.412 670 F CB -0.659 38.318 39.000 -0.038 0.000 1.113 670 F HN 0.180 nan 8.300 nan 0.000 0.579 671 L N 0.397 121.680 121.223 0.099 0.000 2.023 671 L HA -0.126 4.215 4.340 0.001 0.000 0.205 671 L C 2.385 179.245 176.870 -0.017 0.000 1.073 671 L CA 1.855 56.684 54.840 -0.018 0.000 0.745 671 L CB -0.788 41.274 42.059 0.004 0.000 0.900 671 L HN 0.039 nan 8.230 nan 0.000 0.435 672 E N -0.298 119.983 120.200 0.135 0.000 2.118 672 E HA -0.291 4.059 4.350 0.001 0.000 0.195 672 E C 2.332 179.002 176.600 0.115 0.000 0.992 672 E CA 1.242 57.801 56.400 0.264 0.000 0.804 672 E CB -0.151 29.722 29.700 0.289 0.000 0.741 672 E HN 0.271 nan 8.360 nan 0.000 0.458 673 R N -0.304 120.249 120.500 0.088 0.000 2.152 673 R HA -0.004 4.337 4.340 0.001 0.000 0.232 673 R C 1.994 178.239 176.300 -0.091 0.000 1.117 673 R CA 1.265 57.399 56.100 0.057 0.000 0.981 673 R CB -0.558 29.875 30.300 0.222 0.000 0.870 673 R HN 0.258 nan 8.270 nan 0.000 0.451 674 A N -0.901 121.792 122.820 -0.211 0.000 2.070 674 A HA -0.097 4.224 4.320 0.001 0.000 0.220 674 A C 1.399 178.668 177.584 -0.526 0.000 1.159 674 A CA 0.969 52.770 52.037 -0.394 0.000 0.656 674 A CB -0.516 18.176 19.000 -0.514 0.000 0.800 674 A HN 0.325 nan 8.150 nan 0.000 0.453 675 F N -0.104 119.645 119.950 -0.335 0.000 2.811 675 F HA 0.210 4.738 4.527 0.001 0.000 0.301 675 F C 0.538 176.046 175.800 -0.487 0.000 1.151 675 F CA -0.467 57.242 58.000 -0.485 0.000 1.412 675 F CB 0.023 38.568 39.000 -0.760 0.000 1.113 675 F HN 0.014 nan 8.300 nan 0.000 0.579 676 I N 1.208 121.646 120.570 -0.219 0.000 2.396 676 I HA 0.019 4.190 4.170 0.001 0.000 0.289 676 I C 0.158 176.220 176.117 -0.091 0.000 1.056 676 I CA -0.275 60.941 61.300 -0.141 0.000 1.365 676 I CB 0.072 38.016 38.000 -0.094 0.000 1.407 676 I HN -0.057 nan 8.210 nan 0.000 0.509 677 D N 9.848 130.215 120.400 -0.054 0.000 2.280 677 D HA 0.229 4.869 4.640 0.001 0.000 0.243 677 D C -1.580 174.698 176.300 -0.036 0.000 1.129 677 D CA -1.870 52.112 54.000 -0.030 0.000 0.848 677 D CB 2.177 42.969 40.800 -0.012 0.000 1.107 677 D HN 0.239 nan 8.370 nan 0.000 0.471 678 P HA -0.067 nan 4.420 nan 0.000 0.222 678 P C 1.548 178.807 177.300 -0.067 0.000 1.147 678 P CA 0.565 63.636 63.100 -0.049 0.000 0.790 678 P CB 0.425 32.100 31.700 -0.043 0.000 0.780 679 L N -1.675 119.511 121.223 -0.062 0.000 2.478 679 L HA 0.139 4.480 4.340 0.001 0.000 0.223 679 L C 1.452 178.265 176.870 -0.094 0.000 1.140 679 L CA 0.519 55.312 54.840 -0.078 0.000 0.842 679 L CB -1.252 40.770 42.059 -0.061 0.000 0.953 679 L HN 0.108 nan 8.230 nan 0.000 0.452 680 G N 0.412 109.167 108.800 -0.076 0.000 2.750 680 G HA2 -0.264 3.697 3.960 0.001 0.000 0.228 680 G HA3 -0.264 3.697 3.960 0.001 0.000 0.228 680 G C -0.466 174.413 174.900 -0.034 0.000 1.367 680 G CA -0.596 44.465 45.100 -0.065 0.000 0.871 680 G HN 0.054 nan 8.290 nan 0.000 0.560 681 L N 0.976 122.194 121.223 -0.008 0.000 2.439 681 L HA 0.437 4.778 4.340 0.001 0.000 0.259 681 L C -1.759 175.098 176.870 -0.023 0.000 1.129 681 L CA -1.895 52.948 54.840 0.004 0.000 0.803 681 L CB 1.193 43.279 42.059 0.045 0.000 1.161 681 L HN 0.324 nan 8.230 nan 0.000 0.462 682 P HA 0.007 nan 4.420 nan 0.000 0.261 682 P C -0.672 176.610 177.300 -0.030 0.000 1.203 682 P CA 0.442 63.527 63.100 -0.025 0.000 0.767 682 P CB 0.185 31.877 31.700 -0.014 0.000 0.785 683 D N 1.557 121.928 120.400 -0.049 0.000 3.046 683 D HA -0.199 4.442 4.640 0.001 0.000 0.210 683 D C -0.077 176.181 176.300 -0.071 0.000 1.124 683 D CA 1.076 55.043 54.000 -0.054 0.000 0.986 683 D CB -0.901 39.885 40.800 -0.024 0.000 1.118 683 D HN 0.566 nan 8.370 nan 0.000 0.416 684 R N 0.064 120.514 120.500 -0.083 0.000 2.585 684 R HA 0.209 4.549 4.340 0.001 0.000 0.278 684 R C -1.922 174.257 176.300 -0.203 0.000 1.663 684 R CA -1.289 54.742 56.100 -0.116 0.000 1.592 684 R CB 1.323 31.628 30.300 0.007 0.000 1.200 684 R HN -0.040 nan 8.270 nan 0.000 0.611 685 P HA -0.119 nan 4.420 nan 0.000 0.223 685 P C 0.348 177.253 177.300 -0.657 0.000 1.144 685 P CA 1.147 63.913 63.100 -0.557 0.000 0.783 685 P CB 0.146 31.365 31.700 -0.802 0.000 0.771 686 F N -3.030 116.785 119.950 -0.226 0.000 2.695 686 F HA 0.205 4.732 4.527 0.001 0.000 0.303 686 F C 0.545 176.223 175.800 -0.203 0.000 1.091 686 F CA -0.375 57.470 58.000 -0.259 0.000 1.300 686 F CB -0.391 38.400 39.000 -0.348 0.000 1.071 686 F HN -0.212 nan 8.300 nan 0.000 0.578 687 Y N 1.022 121.333 120.300 0.019 0.000 2.491 687 Y HA 0.436 4.987 4.550 0.001 0.000 0.334 687 Y C 1.035 176.923 175.900 -0.019 0.000 0.969 687 Y CA -1.477 56.622 58.100 -0.002 0.000 1.241 687 Y CB 0.507 38.957 38.460 -0.017 0.000 1.105 687 Y HN 0.022 nan 8.280 nan 0.000 0.503 688 R N 0.304 120.896 120.500 0.153 0.000 2.476 688 R HA 0.079 4.420 4.340 0.001 0.000 0.276 688 R C -0.337 175.994 176.300 0.052 0.000 0.941 688 R CA -0.261 55.875 56.100 0.060 0.000 1.088 688 R CB 0.460 30.770 30.300 0.015 0.000 1.216 688 R HN 0.545 nan 8.270 nan 0.000 0.533 689 H N 0.676 119.728 119.070 -0.031 0.000 2.800 689 H HA 0.088 4.644 4.556 0.001 0.000 0.291 689 H C 1.244 176.527 175.328 -0.075 0.000 1.076 689 H CA -0.341 55.658 56.048 -0.080 0.000 1.452 689 H CB 1.019 30.660 29.762 -0.202 0.000 1.461 689 H HN -0.193 nan 8.280 nan 0.000 0.488 690 V N 6.196 126.147 119.914 0.062 0.000 2.809 690 V HA -0.200 3.921 4.120 0.001 0.000 0.256 690 V C 1.600 177.697 176.094 0.004 0.000 1.080 690 V CA 1.017 63.357 62.300 0.068 0.000 1.102 690 V CB -0.441 31.431 31.823 0.082 0.000 0.705 690 V HN 0.769 nan 8.190 nan 0.000 0.475 691 I N -1.817 118.714 120.570 -0.065 0.000 2.385 691 I HA 0.108 4.278 4.170 0.001 0.000 0.244 691 I C 1.149 176.838 176.117 -0.713 0.000 1.089 691 I CA 0.919 61.855 61.300 -0.608 0.000 1.410 691 I CB -0.795 36.656 38.000 -0.916 0.000 1.117 691 I HN 0.204 nan 8.210 nan 0.000 0.429 692 Y N 0.322 120.424 120.300 -0.331 0.000 2.654 692 Y HA 0.716 5.266 4.550 0.001 0.000 0.328 692 Y C 0.362 176.079 175.900 -0.306 0.000 1.174 692 Y CA -1.133 56.741 58.100 -0.377 0.000 1.293 692 Y CB 0.561 38.815 38.460 -0.343 0.000 1.464 692 Y HN 0.207 nan 8.280 nan 0.000 0.559 693 A N 0.159 122.922 122.820 -0.096 0.000 2.415 693 A HA 0.149 4.470 4.320 0.001 0.000 0.681 693 A C -3.210 174.182 177.584 -0.320 0.000 0.138 693 A CA -1.533 50.346 52.037 -0.264 0.000 0.054 693 A CB -1.906 16.988 19.000 -0.176 0.000 3.941 693 A HN 0.346 nan 8.150 nan 0.000 0.545 694 P HA 0.304 nan 4.420 nan 0.000 0.266 694 P C 0.511 177.671 177.300 -0.233 0.000 1.195 694 P CA 0.592 63.485 63.100 -0.346 0.000 0.768 694 P CB 0.847 32.298 31.700 -0.415 0.000 0.838 695 S N 2.263 117.856 115.700 -0.178 0.000 2.562 695 S HA 0.015 4.486 4.470 0.001 0.000 0.281 695 S C 1.600 176.114 174.600 -0.145 0.000 1.333 695 S CA -0.057 58.058 58.200 -0.141 0.000 1.052 695 S CB -0.038 63.082 63.200 -0.133 0.000 0.884 695 S HN 0.359 nan 8.310 nan 0.000 0.506 696 S N 2.764 118.325 115.700 -0.232 0.000 2.419 696 S HA -0.071 4.399 4.470 0.001 0.000 0.235 696 S C 1.119 175.597 174.600 -0.204 0.000 1.019 696 S CA 1.109 59.160 58.200 -0.248 0.000 0.982 696 S CB -0.455 62.519 63.200 -0.378 0.000 0.789 696 S HN 0.829 nan 8.310 nan 0.000 0.490 697 H N 0.563 119.565 119.070 -0.112 0.000 3.372 697 H HA 0.241 4.798 4.556 0.001 0.000 0.263 697 H C 0.726 175.952 175.328 -0.169 0.000 1.418 697 H CA -0.239 55.665 56.048 -0.239 0.000 1.956 697 H CB -1.380 27.983 29.762 -0.664 0.000 1.572 697 H HN 0.169 nan 8.280 nan 0.000 0.571 698 N N 2.147 120.790 118.700 -0.094 0.000 2.377 698 N HA -0.069 4.672 4.740 0.001 0.000 0.299 698 N C -0.362 175.146 175.510 -0.003 0.000 1.251 698 N CA 0.231 53.272 53.050 -0.016 0.000 1.130 698 N CB 0.071 38.576 38.487 0.030 0.000 1.487 698 N HN 0.148 nan 8.380 nan 0.000 0.490 699 K N 2.183 122.619 120.400 0.061 0.000 2.270 699 K HA 0.008 4.328 4.320 0.001 0.000 0.276 699 K C -0.119 176.663 176.600 0.303 0.000 1.023 699 K CA -0.528 55.827 56.287 0.112 0.000 0.955 699 K CB 0.513 33.098 32.500 0.141 0.000 0.975 699 K HN 0.464 nan 8.250 nan 0.000 0.471 700 Y N -0.140 120.124 120.300 -0.060 0.000 2.455 700 Y HA -0.260 4.290 4.550 0.001 0.000 0.393 700 Y C 0.361 176.229 175.900 -0.055 0.000 1.169 700 Y CA -0.395 57.666 58.100 -0.065 0.000 1.394 700 Y CB -1.056 37.377 38.460 -0.045 0.000 1.264 700 Y HN 0.749 nan 8.280 nan 0.000 0.375 701 A N 1.496 124.336 122.820 0.033 0.000 2.422 701 A HA 0.213 4.533 4.320 0.001 0.000 0.219 701 A C 0.801 178.351 177.584 -0.057 0.000 2.882 701 A CA 0.034 52.060 52.037 -0.018 0.000 1.556 701 A CB -1.326 17.674 19.000 -0.001 0.000 0.203 701 A HN 1.361 nan 8.150 nan 0.000 0.539 702 G N -0.054 108.656 108.800 -0.150 0.000 2.531 702 G HA2 0.546 4.507 3.960 0.001 0.000 0.281 702 G HA3 0.546 4.507 3.960 0.001 0.000 0.281 702 G C -0.332 174.253 174.900 -0.525 0.000 1.382 702 G CA -0.099 44.736 45.100 -0.442 0.000 1.045 702 G HN 0.215 nan 8.290 nan 0.000 0.533 703 E N -0.580 119.066 120.200 -0.924 0.000 2.243 703 E HA 0.426 4.777 4.350 0.001 0.000 0.260 703 E C 0.069 176.428 176.600 -0.402 0.000 0.985 703 E CA -0.580 55.511 56.400 -0.514 0.000 0.858 703 E CB 1.555 31.062 29.700 -0.322 0.000 1.210 703 E HN 0.304 nan 8.360 nan 0.000 0.411 704 S N -0.066 115.382 115.700 -0.421 0.000 2.596 704 S HA 0.119 4.590 4.470 0.001 0.000 0.260 704 S C -0.148 174.284 174.600 -0.279 0.000 1.336 704 S CA -0.323 57.524 58.200 -0.589 0.000 0.993 704 S CB -0.141 62.285 63.200 -1.290 0.000 0.923 704 S HN 0.472 nan 8.310 nan 0.000 0.567 705 F N -0.031 119.783 119.950 -0.227 0.000 2.866 705 F HA -0.124 4.404 4.527 0.001 0.000 0.254 705 F C -1.291 174.504 175.800 -0.009 0.000 1.009 705 F CA 0.043 57.998 58.000 -0.076 0.000 0.907 705 F CB -1.777 37.230 39.000 0.011 0.000 0.859 705 F HN 0.452 nan 8.300 nan 0.000 0.842 706 P HA -0.168 nan 4.420 nan 0.000 0.219 706 P C 1.815 179.191 177.300 0.126 0.000 1.146 706 P CA 1.970 65.107 63.100 0.060 0.000 0.808 706 P CB 0.056 31.726 31.700 -0.051 0.000 0.779 707 G N 0.226 109.096 108.800 0.116 0.000 2.408 707 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 707 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 707 G C 1.644 176.607 174.900 0.105 0.000 1.150 707 G CA 0.439 45.593 45.100 0.090 0.000 0.776 707 G HN 0.253 nan 8.290 nan 0.000 0.542 708 I N -1.097 119.568 120.570 0.157 0.000 2.235 708 I HA -0.044 4.126 4.170 0.001 0.000 0.241 708 I C 2.389 178.619 176.117 0.188 0.000 1.085 708 I CA 0.765 62.153 61.300 0.145 0.000 1.378 708 I CB -0.378 37.723 38.000 0.169 0.000 1.076 708 I HN 0.176 nan 8.210 nan 0.000 0.415 709 Y N 2.125 122.508 120.300 0.139 0.000 2.139 709 Y HA -0.368 4.182 4.550 0.001 0.000 0.282 709 Y C 2.088 178.080 175.900 0.152 0.000 1.179 709 Y CA 2.043 60.233 58.100 0.150 0.000 1.161 709 Y CB -0.195 38.338 38.460 0.122 0.000 0.970 709 Y HN 0.214 nan 8.280 nan 0.000 0.511 710 D N -0.425 120.098 120.400 0.205 0.000 2.194 710 D HA -0.033 4.608 4.640 0.001 0.000 0.204 710 D C 2.234 178.595 176.300 0.101 0.000 0.964 710 D CA 1.143 55.214 54.000 0.118 0.000 0.846 710 D CB -0.467 40.318 40.800 -0.025 0.000 0.962 710 D HN 0.459 nan 8.370 nan 0.000 0.490 711 A N 0.318 123.156 122.820 0.030 0.000 2.019 711 A HA -0.077 4.244 4.320 0.001 0.000 0.219 711 A C 2.181 179.663 177.584 -0.170 0.000 1.164 711 A CA 0.847 52.850 52.037 -0.057 0.000 0.644 711 A CB -0.469 18.483 19.000 -0.081 0.000 0.805 711 A HN 0.222 nan 8.150 nan 0.000 0.449 712 L N -2.357 118.781 121.223 -0.141 0.000 2.416 712 L HA 0.206 4.546 4.340 0.001 0.000 0.216 712 L C 0.672 177.447 176.870 -0.158 0.000 1.098 712 L CA -0.415 54.286 54.840 -0.233 0.000 0.840 712 L CB -0.056 41.937 42.059 -0.110 0.000 0.981 712 L HN 0.405 nan 8.230 nan 0.000 0.462 713 F N 2.029 121.851 119.950 -0.212 0.000 2.571 713 F HA -0.010 4.518 4.527 0.001 0.000 0.384 713 F C 1.058 176.812 175.800 -0.075 0.000 1.058 713 F CA -0.015 57.897 58.000 -0.146 0.000 1.200 713 F CB -0.035 38.977 39.000 0.020 0.000 1.077 713 F HN 0.116 nan 8.300 nan 0.000 0.558 714 D N 4.405 124.419 120.400 -0.642 0.000 2.772 714 D HA -0.303 4.338 4.640 0.001 0.000 0.233 714 D C 0.966 177.116 176.300 -0.251 0.000 1.143 714 D CA 1.161 54.880 54.000 -0.469 0.000 0.700 714 D CB -1.403 39.154 40.800 -0.405 0.000 1.076 714 D HN 0.699 nan 8.370 nan 0.000 0.430 715 I N 0.165 120.577 120.570 -0.263 0.000 2.546 715 I HA -0.185 3.986 4.170 0.001 0.000 0.255 715 I C 2.277 178.280 176.117 -0.190 0.000 1.163 715 I CA 1.235 62.356 61.300 -0.298 0.000 1.457 715 I CB -0.102 37.570 38.000 -0.547 0.000 1.092 715 I HN 0.289 nan 8.210 nan 0.000 0.434 716 E N 0.325 120.445 120.200 -0.134 0.000 2.267 716 E HA -0.205 4.145 4.350 0.001 0.000 0.197 716 E C 1.707 178.280 176.600 -0.045 0.000 0.998 716 E CA 1.606 57.991 56.400 -0.025 0.000 0.830 716 E CB -0.526 29.194 29.700 0.033 0.000 0.751 716 E HN 0.474 nan 8.360 nan 0.000 0.491 717 S N 0.010 115.652 115.700 -0.097 0.000 2.562 717 S HA 0.004 4.475 4.470 0.001 0.000 0.221 717 S C 0.694 175.262 174.600 -0.053 0.000 0.975 717 S CA 0.003 58.151 58.200 -0.086 0.000 0.918 717 S CB 0.218 63.343 63.200 -0.126 0.000 0.772 717 S HN 0.050 nan 8.310 nan 0.000 0.531 718 K N 1.262 121.629 120.400 -0.055 0.000 2.237 718 K HA 0.269 4.590 4.320 0.001 0.000 0.270 718 K C 1.292 177.884 176.600 -0.014 0.000 1.015 718 K CA -0.162 56.100 56.287 -0.043 0.000 0.949 718 K CB 1.213 33.667 32.500 -0.078 0.000 0.976 718 K HN 0.048 nan 8.250 nan 0.000 0.472 719 V N 0.536 120.445 119.914 -0.009 0.000 2.307 719 V HA -0.110 4.011 4.120 0.001 0.000 0.245 719 V C 1.071 177.175 176.094 0.016 0.000 1.045 719 V CA 1.740 64.043 62.300 0.005 0.000 1.024 719 V CB -0.219 31.606 31.823 0.004 0.000 0.651 719 V HN 0.872 nan 8.190 nan 0.000 0.449 720 D N -0.050 120.354 120.400 0.007 0.000 2.479 720 D HA 0.196 4.837 4.640 0.001 0.000 0.247 720 D C -1.455 174.850 176.300 0.009 0.000 1.119 720 D CA -2.268 51.741 54.000 0.014 0.000 0.922 720 D CB 1.542 42.342 40.800 0.000 0.000 1.014 720 D HN 0.161 nan 8.370 nan 0.000 0.510 721 P HA -0.185 nan 4.420 nan 0.000 0.216 721 P C 1.370 178.625 177.300 -0.075 0.000 1.150 721 P CA 0.957 64.129 63.100 0.120 0.000 0.837 721 P CB 0.171 32.042 31.700 0.285 0.000 0.786 722 S N -0.905 114.705 115.700 -0.149 0.000 2.402 722 S HA -0.117 4.354 4.470 0.001 0.000 0.229 722 S C 2.214 176.670 174.600 -0.241 0.000 1.021 722 S CA 1.339 59.282 58.200 -0.429 0.000 0.974 722 S CB -0.958 62.241 63.200 -0.000 0.000 0.800 722 S HN 0.043 nan 8.310 nan 0.000 0.484 723 K N 1.371 121.700 120.400 -0.119 0.000 2.025 723 K HA 0.263 4.584 4.320 0.001 0.000 0.207 723 K C 2.555 179.080 176.600 -0.125 0.000 1.049 723 K CA 1.174 57.408 56.287 -0.088 0.000 0.933 723 K CB -1.383 31.086 32.500 -0.052 0.000 0.714 723 K HN 0.660 nan 8.250 nan 0.000 0.438 724 A N -0.935 121.789 122.820 -0.161 0.000 1.933 724 A HA -0.106 4.215 4.320 0.001 0.000 0.218 724 A C 2.082 179.418 177.584 -0.413 0.000 1.175 724 A CA 1.738 53.613 52.037 -0.269 0.000 0.628 724 A CB -0.867 17.949 19.000 -0.306 0.000 0.814 724 A HN 0.741 nan 8.150 nan 0.000 0.444 725 W N -0.404 120.715 121.300 -0.300 0.000 2.518 725 W HA 0.166 4.827 4.660 0.001 0.000 0.273 725 W C 2.432 178.825 176.519 -0.210 0.000 1.247 725 W CA 0.625 57.794 57.345 -0.292 0.000 1.288 725 W CB -0.354 28.804 29.460 -0.504 0.000 1.107 725 W HN 0.369 nan 8.180 nan 0.000 0.586 726 G N 0.303 109.070 108.800 -0.054 0.000 2.440 726 G HA2 -0.335 3.626 3.960 0.001 0.000 0.218 726 G HA3 -0.335 3.626 3.960 0.001 0.000 0.218 726 G C 1.302 176.183 174.900 -0.030 0.000 1.154 726 G CA 1.537 46.619 45.100 -0.030 0.000 0.767 726 G HN 0.237 nan 8.290 nan 0.000 0.552 727 E N 0.055 120.211 120.200 -0.073 0.000 2.216 727 E HA 0.010 4.361 4.350 0.001 0.000 0.192 727 E C 2.539 179.095 176.600 -0.073 0.000 0.988 727 E CA 0.386 56.747 56.400 -0.066 0.000 0.834 727 E CB -0.191 29.458 29.700 -0.084 0.000 0.772 727 E HN 0.199 nan 8.360 nan 0.000 0.479 728 V N 0.920 120.764 119.914 -0.116 0.000 2.358 728 V HA -0.241 3.880 4.120 0.001 0.000 0.246 728 V C 2.124 178.193 176.094 -0.041 0.000 1.047 728 V CA 2.092 64.336 62.300 -0.095 0.000 1.035 728 V CB -0.381 31.352 31.823 -0.150 0.000 0.658 728 V HN 0.238 nan 8.190 nan 0.000 0.452 729 K N -0.176 120.223 120.400 -0.001 0.000 2.057 729 K HA -0.179 4.142 4.320 0.001 0.000 0.206 729 K C 2.386 178.996 176.600 0.018 0.000 1.050 729 K CA 1.442 57.722 56.287 -0.011 0.000 0.935 729 K CB -0.242 32.271 32.500 0.022 0.000 0.715 729 K HN 0.293 nan 8.250 nan 0.000 0.439 730 R N 0.987 121.511 120.500 0.041 0.000 2.081 730 R HA -0.148 4.193 4.340 0.001 0.000 0.235 730 R C 2.131 178.496 176.300 0.108 0.000 1.131 730 R CA 1.406 57.576 56.100 0.116 0.000 0.960 730 R CB 0.090 30.437 30.300 0.077 0.000 0.856 730 R HN 0.152 nan 8.270 nan 0.000 0.436 731 Q N 0.204 120.023 119.800 0.031 0.000 2.224 731 Q HA -0.103 4.237 4.340 0.001 0.000 0.203 731 Q C 2.152 178.140 176.000 -0.019 0.000 0.970 731 Q CA 1.066 56.876 55.803 0.010 0.000 0.865 731 Q CB -0.002 28.741 28.738 0.008 0.000 0.922 731 Q HN 0.477 nan 8.270 nan 0.000 0.445 732 I N 0.019 120.553 120.570 -0.060 0.000 2.202 732 I HA -0.297 3.873 4.170 0.001 0.000 0.242 732 I C 2.319 178.434 176.117 -0.004 0.000 1.091 732 I CA 1.155 62.374 61.300 -0.135 0.000 1.368 732 I CB -0.401 37.420 38.000 -0.298 0.000 1.058 732 I HN 0.115 nan 8.210 nan 0.000 0.410 733 Y N 1.465 121.724 120.300 -0.069 0.000 2.097 733 Y HA -0.250 4.301 4.550 0.001 0.000 0.282 733 Y C 2.392 178.326 175.900 0.057 0.000 1.152 733 Y CA 1.544 59.638 58.100 -0.011 0.000 1.136 733 Y CB -0.900 37.548 38.460 -0.021 0.000 0.975 733 Y HN -0.096 nan 8.280 nan 0.000 0.498 734 V N 0.768 120.576 119.914 -0.178 0.000 2.295 734 V HA -0.326 3.795 4.120 0.001 0.000 0.246 734 V C 2.762 178.837 176.094 -0.032 0.000 1.049 734 V CA 2.038 64.217 62.300 -0.203 0.000 1.024 734 V CB -1.632 30.128 31.823 -0.106 0.000 0.648 734 V HN 0.587 nan 8.190 nan 0.000 0.447 735 A N -0.298 122.516 122.820 -0.010 0.000 1.898 735 A HA -0.070 4.250 4.320 0.001 0.000 0.216 735 A C 2.414 180.003 177.584 0.007 0.000 1.181 735 A CA 1.990 54.041 52.037 0.023 0.000 0.620 735 A CB -0.769 18.176 19.000 -0.091 0.000 0.819 735 A HN 0.563 nan 8.150 nan 0.000 0.442 736 A N -0.817 121.997 122.820 -0.011 0.000 1.877 736 A HA -0.052 4.268 4.320 0.001 0.000 0.216 736 A C 2.048 179.670 177.584 0.063 0.000 1.186 736 A CA 1.697 53.751 52.037 0.029 0.000 0.620 736 A CB -0.827 18.213 19.000 0.067 0.000 0.822 736 A HN 0.794 nan 8.150 nan 0.000 0.443 737 F N 1.644 121.570 119.950 -0.040 0.000 2.120 737 F HA -0.177 4.350 4.527 0.001 0.000 0.300 737 F C 2.296 178.064 175.800 -0.053 0.000 1.095 737 F CA 2.376 60.338 58.000 -0.063 0.000 1.249 737 F CB -0.906 37.971 39.000 -0.206 0.000 0.995 737 F HN 0.199 nan 8.300 nan 0.000 0.480 738 T N 0.166 114.478 114.554 -0.403 0.000 2.812 738 T HA -0.100 4.250 4.350 0.001 0.000 0.264 738 T C 2.228 176.754 174.700 -0.290 0.000 1.042 738 T CA 1.435 63.255 62.100 -0.465 0.000 1.140 738 T CB -0.590 68.203 68.868 -0.125 0.000 0.870 738 T HN 0.146 nan 8.240 nan 0.000 0.445 739 V N 1.587 121.467 119.914 -0.056 0.000 2.295 739 V HA -0.191 3.930 4.120 0.001 0.000 0.246 739 V C 2.669 178.784 176.094 0.036 0.000 1.049 739 V CA 1.778 64.125 62.300 0.078 0.000 1.024 739 V CB -0.651 31.257 31.823 0.142 0.000 0.648 739 V HN 0.359 nan 8.190 nan 0.000 0.447 740 Q N 0.520 120.293 119.800 -0.045 0.000 2.084 740 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 740 Q C 2.096 177.998 176.000 -0.163 0.000 0.978 740 Q CA 2.254 58.029 55.803 -0.046 0.000 0.844 740 Q CB -0.584 28.152 28.738 -0.005 0.000 0.898 740 Q HN 0.603 nan 8.270 nan 0.000 0.426 741 A N 0.100 122.692 122.820 -0.381 0.000 1.898 741 A HA 0.037 4.358 4.320 0.001 0.000 0.216 741 A C 2.287 179.664 177.584 -0.345 0.000 1.181 741 A CA 1.640 53.428 52.037 -0.416 0.000 0.620 741 A CB -1.138 17.421 19.000 -0.735 0.000 0.819 741 A HN 0.504 nan 8.150 nan 0.000 0.442 742 A N 0.172 122.749 122.820 -0.405 0.000 1.883 742 A HA 0.074 4.394 4.320 0.001 0.000 0.217 742 A C 2.538 179.949 177.584 -0.290 0.000 1.186 742 A CA 2.407 54.164 52.037 -0.468 0.000 0.624 742 A CB -1.189 17.294 19.000 -0.862 0.000 0.822 742 A HN 1.115 nan 8.150 nan 0.000 0.444 743 A N -0.195 122.526 122.820 -0.166 0.000 1.873 743 A HA -0.248 4.072 4.320 0.001 0.000 0.218 743 A C 1.869 179.277 177.584 -0.294 0.000 1.193 743 A CA 1.854 53.680 52.037 -0.352 0.000 0.629 743 A CB -0.727 18.176 19.000 -0.162 0.000 0.826 743 A HN 0.647 nan 8.150 nan 0.000 0.447 744 E N -0.652 119.430 120.200 -0.196 0.000 2.401 744 E HA -0.123 4.228 4.350 0.001 0.000 0.199 744 E C 1.961 178.461 176.600 -0.167 0.000 1.023 744 E CA 1.224 57.533 56.400 -0.153 0.000 0.859 744 E CB -0.291 29.345 29.700 -0.107 0.000 0.780 744 E HN 0.903 nan 8.360 nan 0.000 0.523 745 T N -1.491 112.934 114.554 -0.215 0.000 2.995 745 T HA -0.019 4.332 4.350 0.001 0.000 0.269 745 T C 1.712 176.280 174.700 -0.220 0.000 1.091 745 T CA 0.448 62.431 62.100 -0.194 0.000 1.128 745 T CB -0.050 68.700 68.868 -0.198 0.000 0.891 745 T HN 0.103 nan 8.240 nan 0.000 0.492 746 L N 1.069 122.104 121.223 -0.313 0.000 2.529 746 L HA 0.256 4.596 4.340 0.001 0.000 0.223 746 L C 1.178 177.967 176.870 -0.135 0.000 1.113 746 L CA -0.355 54.234 54.840 -0.419 0.000 0.861 746 L CB -0.253 41.410 42.059 -0.660 0.000 1.012 746 L HN 0.145 nan 8.230 nan 0.000 0.461 747 S N 0.370 116.010 115.700 -0.100 0.000 2.572 747 S HA 0.012 4.483 4.470 0.001 0.000 0.267 747 S C 0.361 174.969 174.600 0.013 0.000 1.361 747 S CA -0.428 57.757 58.200 -0.025 0.000 1.009 747 S CB 0.300 63.474 63.200 -0.042 0.000 0.888 747 S HN 0.208 nan 8.310 nan 0.000 0.553 748 E N 0.709 120.923 120.200 0.024 0.000 2.415 748 E HA 0.007 4.358 4.350 0.001 0.000 0.262 748 E C 1.183 177.783 176.600 0.000 0.000 1.038 748 E CA -0.100 56.312 56.400 0.020 0.000 0.921 748 E CB 0.289 29.994 29.700 0.009 0.000 0.950 748 E HN 0.514 nan 8.360 nan 0.000 0.438 749 V N -1.269 118.644 119.914 -0.002 0.000 3.461 749 V HA 0.332 4.452 4.120 0.001 0.000 0.267 749 V C 0.528 176.613 176.094 -0.016 0.000 1.186 749 V CA 1.039 63.332 62.300 -0.012 0.000 1.154 749 V CB -0.683 31.134 31.823 -0.010 0.000 0.802 749 V HN 0.692 nan 8.190 nan 0.000 0.474 750 A N 0.000 122.813 122.820 -0.012 0.000 2.254 750 A HA 0.000 4.321 4.320 0.001 0.000 0.244 750 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 750 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486