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 2whi_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKTPDDVFKL AKDEKVEYVD VRFCDLPGIM QHFTIPASAF DKSVFDDGLA DATA SEQUENCE FDGSSIRGFQ SIHESDMLLL PDPETARIDP FRAAKTLNIN FFVHDPFTLE DATA SEQUENCE PYSRDPRNIA RKAENYLIST GIADTAYFGA EAEFYIFDSV SFDSRANGSF DATA SEQUENCE YEVDAISGWW NTGAATEADG SPNRGYKVRH KGGYFPVAPN DQYVDLRDKM DATA SEQUENCE LTNLINSGFI LEKGHHEVGS GGQAEINYQF NSLLHAADDM QLYKYIIKNT DATA SEQUENCE AWQNGKTVTF MPKPLFGDNG SGMHCHQSLW KDGAPLMYDE TGYAGLSDTA DATA SEQUENCE RHYIGGLLHH APSLLAFTNP TVNSYKRLVP GYEAPINLVY SQRNRSACVR DATA SEQUENCE IPITGSNPKA KRLEFRSPDS SGNPYLAFSA MLMAGLDGIK NKIEPQAPVD DATA SEQUENCE KDLYELPPEE AASIPQTPTQ LSDVIDRLEA DHEYLTEGGV FTNDLIETWI DATA SEQUENCE SFKRENEIEP VNIRPHPYEF ALYYDV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.606 176.600 0.009 0.000 1.382 3 E CA 0.000 56.417 56.400 0.028 0.000 0.976 3 E CB 0.000 29.714 29.700 0.023 0.000 0.812 4 K N 2.152 122.553 120.400 0.001 0.000 2.414 4 K HA 0.161 4.482 4.320 0.001 0.000 0.272 4 K C 0.496 177.090 176.600 -0.010 0.000 0.993 4 K CA 0.726 57.007 56.287 -0.011 0.000 0.964 4 K CB 0.647 33.136 32.500 -0.018 0.000 0.925 4 K HN 0.143 nan 8.250 nan 0.000 0.487 5 T N -0.574 113.957 114.554 -0.038 0.000 2.950 5 T HA 0.281 4.632 4.350 0.001 0.000 0.288 5 T C -2.076 172.522 174.700 -0.170 0.000 1.035 5 T CA -2.176 59.878 62.100 -0.075 0.000 1.028 5 T CB 1.671 70.496 68.868 -0.071 0.000 1.109 5 T HN 0.181 nan 8.240 nan 0.000 0.514 6 P HA -0.105 nan 4.420 nan 0.000 0.216 6 P C 0.868 177.796 177.300 -0.619 0.000 1.154 6 P CA 1.190 63.753 63.100 -0.895 0.000 0.865 6 P CB -0.025 30.944 31.700 -1.219 0.000 0.789 7 D N -1.263 119.004 120.400 -0.222 0.000 2.178 7 D HA -0.126 4.514 4.640 0.001 0.000 0.202 7 D C 1.553 177.860 176.300 0.012 0.000 0.974 7 D CA 0.906 54.920 54.000 0.023 0.000 0.841 7 D CB -0.725 40.089 40.800 0.023 0.000 0.953 7 D HN 0.150 nan 8.370 nan 0.000 0.478 8 D N -0.208 120.163 120.400 -0.048 0.000 2.117 8 D HA -0.103 4.538 4.640 0.001 0.000 0.197 8 D C 2.204 178.501 176.300 -0.005 0.000 0.987 8 D CA 0.552 54.540 54.000 -0.019 0.000 0.829 8 D CB -0.117 40.665 40.800 -0.030 0.000 0.961 8 D HN 0.111 nan 8.370 nan 0.000 0.460 9 V N 0.737 120.618 119.914 -0.056 0.000 2.379 9 V HA -0.198 3.923 4.120 0.001 0.000 0.245 9 V C 2.183 178.339 176.094 0.104 0.000 1.044 9 V CA 1.072 63.373 62.300 0.002 0.000 1.036 9 V CB -0.581 31.263 31.823 0.035 0.000 0.664 9 V HN 0.019 nan 8.190 nan 0.000 0.453 10 F N 0.862 120.894 119.950 0.136 0.000 2.161 10 F HA -0.154 4.373 4.527 0.001 0.000 0.300 10 F C 2.396 178.245 175.800 0.082 0.000 1.089 10 F CA 1.803 59.872 58.000 0.114 0.000 1.282 10 F CB -0.649 38.329 39.000 -0.036 0.000 1.010 10 F HN 0.088 nan 8.300 nan 0.000 0.485 11 K N 0.272 120.803 120.400 0.218 0.000 2.057 11 K HA -0.178 4.142 4.320 0.001 0.000 0.206 11 K C 2.167 178.828 176.600 0.101 0.000 1.050 11 K CA 1.063 57.425 56.287 0.125 0.000 0.935 11 K CB -0.453 32.092 32.500 0.075 0.000 0.715 11 K HN 0.200 nan 8.250 nan 0.000 0.439 12 L N 1.180 122.458 121.223 0.091 0.000 2.042 12 L HA -0.123 4.218 4.340 0.001 0.000 0.210 12 L C 2.195 179.112 176.870 0.079 0.000 1.076 12 L CA 2.140 57.018 54.840 0.064 0.000 0.749 12 L CB -0.727 41.356 42.059 0.040 0.000 0.893 12 L HN 0.225 nan 8.230 nan 0.000 0.432 13 A N -0.766 122.136 122.820 0.136 0.000 1.902 13 A HA -0.253 4.067 4.320 0.001 0.000 0.217 13 A C 2.473 180.129 177.584 0.120 0.000 1.181 13 A CA 1.989 54.113 52.037 0.146 0.000 0.623 13 A CB -0.589 18.582 19.000 0.285 0.000 0.818 13 A HN 0.509 nan 8.150 nan 0.000 0.443 14 K N -0.597 119.881 120.400 0.130 0.000 2.025 14 K HA -0.166 4.155 4.320 0.001 0.000 0.207 14 K C 1.378 178.009 176.600 0.053 0.000 1.049 14 K CA 1.561 57.899 56.287 0.085 0.000 0.933 14 K CB -0.183 32.364 32.500 0.079 0.000 0.714 14 K HN 0.358 nan 8.250 nan 0.000 0.438 15 D N 0.871 121.300 120.400 0.050 0.000 2.144 15 D HA -0.137 4.504 4.640 0.001 0.000 0.199 15 D C 1.519 177.833 176.300 0.023 0.000 0.984 15 D CA 1.020 55.039 54.000 0.031 0.000 0.834 15 D CB 0.005 40.821 40.800 0.027 0.000 0.955 15 D HN 0.238 nan 8.370 nan 0.000 0.465 16 E N 0.502 120.718 120.200 0.026 0.000 2.502 16 E HA -0.014 4.337 4.350 0.001 0.000 0.194 16 E C 0.057 176.665 176.600 0.013 0.000 1.062 16 E CA 0.045 56.455 56.400 0.016 0.000 0.867 16 E CB 0.155 29.863 29.700 0.012 0.000 0.888 16 E HN 0.357 nan 8.360 nan 0.000 0.510 17 K N 0.322 120.733 120.400 0.018 0.000 3.257 17 K HA -0.150 4.171 4.320 0.001 0.000 0.270 17 K C -0.261 176.338 176.600 -0.003 0.000 0.984 17 K CA 0.117 56.410 56.287 0.009 0.000 0.739 17 K CB -2.089 30.413 32.500 0.003 0.000 1.351 17 K HN -0.049 nan 8.250 nan 0.000 0.463 18 V N 1.511 121.427 119.914 0.005 0.000 2.599 18 V HA -0.076 4.045 4.120 0.001 0.000 0.300 18 V C 1.743 177.797 176.094 -0.067 0.000 1.034 18 V CA 0.671 62.964 62.300 -0.012 0.000 1.115 18 V CB 1.100 32.926 31.823 0.005 0.000 0.934 18 V HN 0.385 nan 8.190 nan 0.000 0.485 19 E N 3.022 123.140 120.200 -0.136 0.000 2.166 19 E HA 0.101 4.452 4.350 0.001 0.000 0.192 19 E C -0.803 175.397 176.600 -0.666 0.000 0.967 19 E CA 0.692 56.851 56.400 -0.401 0.000 0.840 19 E CB 0.423 29.850 29.700 -0.456 0.000 0.795 19 E HN 0.705 nan 8.360 nan 0.000 0.470 20 Y N -0.714 119.595 120.300 0.015 0.000 2.553 20 Y HA 0.412 4.963 4.550 0.001 0.000 0.347 20 Y C -0.516 175.349 175.900 -0.059 0.000 1.019 20 Y CA -1.175 56.925 58.100 -0.001 0.000 1.032 20 Y CB 1.675 40.140 38.460 0.009 0.000 1.284 20 Y HN -0.344 nan 8.280 nan 0.000 0.466 21 V N 1.648 121.606 119.914 0.074 0.000 2.448 21 V HA 0.270 4.391 4.120 0.001 0.000 0.295 21 V C -1.071 174.958 176.094 -0.107 0.000 1.025 21 V CA -0.821 61.405 62.300 -0.124 0.000 0.859 21 V CB 1.645 33.240 31.823 -0.380 0.000 0.988 21 V HN 0.710 nan 8.190 nan 0.000 0.431 22 D N 3.496 123.818 120.400 -0.130 0.000 2.359 22 D HA 0.388 5.029 4.640 0.001 0.000 0.230 22 D C -0.411 175.731 176.300 -0.265 0.000 1.118 22 D CA -0.080 53.824 54.000 -0.159 0.000 0.844 22 D CB 1.445 42.191 40.800 -0.091 0.000 1.059 22 D HN 0.296 nan 8.370 nan 0.000 0.493 23 V N 5.614 125.214 119.914 -0.522 0.000 2.427 23 V HA 0.335 4.456 4.120 0.001 0.000 0.268 23 V C 0.567 176.316 176.094 -0.574 0.000 1.046 23 V CA -0.152 61.680 62.300 -0.781 0.000 0.970 23 V CB 0.526 31.404 31.823 -1.574 0.000 1.001 23 V HN 0.456 nan 8.190 nan 0.000 0.476 24 R N 5.006 125.350 120.500 -0.259 0.000 2.740 24 R HA 0.826 5.166 4.340 0.001 0.000 0.282 24 R C -1.027 175.284 176.300 0.018 0.000 0.969 24 R CA -0.522 55.475 56.100 -0.171 0.000 0.918 24 R CB 2.444 32.633 30.300 -0.184 0.000 1.175 24 R HN 0.696 nan 8.270 nan 0.000 0.464 25 F N -1.861 117.973 119.950 -0.193 0.000 2.741 25 F HA 0.557 5.085 4.527 0.001 0.000 0.313 25 F C -1.238 174.476 175.800 -0.143 0.000 1.153 25 F CA -1.366 56.535 58.000 -0.165 0.000 0.931 25 F CB 0.900 39.795 39.000 -0.175 0.000 1.335 25 F HN 0.457 nan 8.300 nan 0.000 0.460 26 C N 3.121 122.447 119.300 0.043 0.000 2.319 26 C HA 0.573 5.033 4.460 0.001 0.000 0.335 26 C C -0.266 174.770 174.990 0.076 0.000 1.274 26 C CA -0.390 58.609 59.018 -0.031 0.000 1.806 26 C CB -0.405 27.308 27.740 -0.047 0.000 2.329 26 C HN 0.919 nan 8.230 nan 0.000 0.524 27 D N 3.578 123.905 120.400 -0.121 0.000 2.398 27 D HA 0.058 4.699 4.640 0.001 0.000 0.247 27 D C 0.882 177.201 176.300 0.032 0.000 1.227 27 D CA -0.621 53.250 54.000 -0.214 0.000 0.980 27 D CB 0.384 40.979 40.800 -0.342 0.000 1.106 27 D HN 0.355 nan 8.370 nan 0.000 0.493 28 L N 0.296 121.560 121.223 0.068 0.000 2.027 28 L HA 0.056 4.397 4.340 0.001 0.000 0.206 28 L C -0.980 176.040 176.870 0.249 0.000 1.074 28 L CA 1.520 56.496 54.840 0.226 0.000 0.745 28 L CB -1.511 40.709 42.059 0.268 0.000 0.898 28 L HN 0.398 nan 8.230 nan 0.000 0.433 29 P HA -0.032 nan 4.420 nan 0.000 0.216 29 P C 0.551 177.952 177.300 0.168 0.000 1.150 29 P CA 1.994 65.104 63.100 0.016 0.000 0.837 29 P CB -0.032 31.537 31.700 -0.219 0.000 0.786 30 G N -3.228 105.626 108.800 0.090 0.000 2.240 30 G HA2 -0.084 3.877 3.960 0.001 0.000 0.181 30 G HA3 -0.084 3.877 3.960 0.001 0.000 0.181 30 G C -0.255 174.657 174.900 0.021 0.000 1.028 30 G CA -0.629 44.528 45.100 0.094 0.000 0.760 30 G HN 0.063 nan 8.290 nan 0.000 0.508 31 I N 2.139 122.690 120.570 -0.031 0.000 2.353 31 I HA 0.458 4.629 4.170 0.001 0.000 0.293 31 I C 0.750 176.786 176.117 -0.136 0.000 0.992 31 I CA -0.749 60.506 61.300 -0.076 0.000 1.268 31 I CB 1.200 39.150 38.000 -0.083 0.000 1.387 31 I HN -0.009 nan 8.210 nan 0.000 0.478 32 M N 5.406 124.917 119.600 -0.148 0.000 2.238 32 M HA 0.198 4.679 4.480 0.001 0.000 0.347 32 M C 0.143 176.247 176.300 -0.326 0.000 1.173 32 M CA -0.123 55.036 55.300 -0.234 0.000 1.147 32 M CB 0.451 32.929 32.600 -0.203 0.000 1.547 32 M HN 0.412 nan 8.290 nan 0.000 0.455 33 Q N 2.096 121.562 119.800 -0.556 0.000 2.297 33 Q HA 0.615 4.955 4.340 0.001 0.000 0.268 33 Q C -0.752 174.963 176.000 -0.475 0.000 1.045 33 Q CA -0.504 54.922 55.803 -0.629 0.000 0.861 33 Q CB 2.293 30.302 28.738 -1.215 0.000 1.344 33 Q HN 0.890 nan 8.270 nan 0.000 0.452 34 H N -1.393 117.439 119.070 -0.397 0.000 3.064 34 H HA 0.726 5.283 4.556 0.001 0.000 0.352 34 H C -1.402 173.890 175.328 -0.060 0.000 1.260 34 H CA -0.976 54.898 56.048 -0.290 0.000 1.160 34 H CB 1.133 30.722 29.762 -0.288 0.000 1.879 34 H HN 0.502 nan 8.280 nan 0.000 0.544 35 F N -0.779 118.981 119.950 -0.317 0.000 2.643 35 F HA 0.770 5.297 4.527 0.001 0.000 0.314 35 F C -1.475 174.219 175.800 -0.176 0.000 1.096 35 F CA -1.021 56.779 58.000 -0.334 0.000 0.953 35 F CB 1.878 40.755 39.000 -0.205 0.000 1.345 35 F HN 0.617 nan 8.300 nan 0.000 0.468 36 T N 3.191 117.760 114.554 0.025 0.000 2.823 36 T HA 0.685 5.036 4.350 0.001 0.000 0.279 36 T C -0.426 174.346 174.700 0.120 0.000 0.998 36 T CA -0.507 61.587 62.100 -0.011 0.000 0.994 36 T CB 1.317 70.147 68.868 -0.064 0.000 0.960 36 T HN 0.763 nan 8.240 nan 0.000 0.448 37 I N 1.096 121.737 120.570 0.117 0.000 2.603 37 I HA 0.751 4.922 4.170 0.001 0.000 0.300 37 I C -2.768 173.515 176.117 0.276 0.000 1.017 37 I CA -3.217 58.205 61.300 0.203 0.000 1.098 37 I CB 2.307 40.433 38.000 0.210 0.000 1.279 37 I HN 0.303 nan 8.210 nan 0.000 0.437 38 P HA 0.129 nan 4.420 nan 0.000 0.274 38 P C 0.444 177.836 177.300 0.153 0.000 1.237 38 P CA -0.213 63.043 63.100 0.259 0.000 0.793 38 P CB 1.282 33.099 31.700 0.195 0.000 0.977 39 A N 2.376 125.217 122.820 0.036 0.000 1.948 39 A HA -0.212 4.109 4.320 0.001 0.000 0.220 39 A C 2.252 179.939 177.584 0.172 0.000 1.177 39 A CA 2.554 54.656 52.037 0.108 0.000 0.636 39 A CB -1.883 17.128 19.000 0.019 0.000 0.815 39 A HN 0.683 nan 8.150 nan 0.000 0.449 40 S N -0.260 115.501 115.700 0.101 0.000 2.419 40 S HA 0.091 4.562 4.470 0.001 0.000 0.235 40 S C 1.680 176.356 174.600 0.126 0.000 1.019 40 S CA 1.192 59.448 58.200 0.092 0.000 0.982 40 S CB -0.443 62.791 63.200 0.056 0.000 0.789 40 S HN 1.001 nan 8.310 nan 0.000 0.490 41 A N -0.052 122.873 122.820 0.176 0.000 2.308 41 A HA 0.455 4.775 4.320 0.001 0.000 0.217 41 A C 0.372 178.134 177.584 0.297 0.000 1.216 41 A CA -0.425 51.728 52.037 0.195 0.000 0.864 41 A CB -0.417 18.693 19.000 0.184 0.000 0.902 41 A HN 0.505 nan 8.150 nan 0.000 0.499 42 F N 2.786 122.838 119.950 0.170 0.000 2.377 42 F HA 0.455 4.982 4.527 0.001 0.000 0.360 42 F C -0.419 175.600 175.800 0.365 0.000 1.147 42 F CA -1.842 56.318 58.000 0.267 0.000 1.170 42 F CB -0.071 39.089 39.000 0.266 0.000 1.339 42 F HN 0.347 nan 8.300 nan 0.000 0.552 43 D N 2.782 123.209 120.400 0.046 0.000 2.758 43 D HA 0.287 4.928 4.640 0.001 0.000 0.279 43 D C 0.554 176.956 176.300 0.170 0.000 1.111 43 D CA -0.754 53.217 54.000 -0.049 0.000 1.109 43 D CB 0.753 41.527 40.800 -0.043 0.000 1.428 43 D HN 0.186 nan 8.370 nan 0.000 0.586 44 K N -0.468 119.970 120.400 0.064 0.000 2.209 44 K HA -0.108 4.212 4.320 0.001 0.000 0.204 44 K C 1.749 178.480 176.600 0.218 0.000 1.048 44 K CA 1.065 57.475 56.287 0.205 0.000 0.940 44 K CB -0.164 32.351 32.500 0.025 0.000 0.729 44 K HN 0.330 nan 8.250 nan 0.000 0.451 45 S N 0.736 116.518 115.700 0.136 0.000 2.399 45 S HA -0.102 4.369 4.470 0.001 0.000 0.231 45 S C 1.926 176.615 174.600 0.149 0.000 1.022 45 S CA 0.857 59.128 58.200 0.118 0.000 0.983 45 S CB -0.098 63.151 63.200 0.082 0.000 0.803 45 S HN 0.070 nan 8.310 nan 0.000 0.480 46 V N 0.868 120.896 119.914 0.190 0.000 2.343 46 V HA -0.115 4.006 4.120 0.001 0.000 0.247 46 V C 1.990 178.115 176.094 0.052 0.000 1.051 46 V CA 1.867 64.265 62.300 0.163 0.000 1.036 46 V CB -0.860 31.093 31.823 0.217 0.000 0.654 46 V HN 0.515 nan 8.190 nan 0.000 0.451 47 F N 0.179 120.169 119.950 0.067 0.000 2.234 47 F HA -0.051 4.476 4.527 0.001 0.000 0.296 47 F C 2.256 178.062 175.800 0.010 0.000 1.089 47 F CA 1.370 59.379 58.000 0.015 0.000 1.343 47 F CB -0.351 38.640 39.000 -0.015 0.000 1.040 47 F HN 0.187 nan 8.300 nan 0.000 0.498 48 D N -0.307 120.211 120.400 0.197 0.000 2.149 48 D HA -0.092 4.548 4.640 0.001 0.000 0.206 48 D C 1.545 177.878 176.300 0.055 0.000 0.967 48 D CA 1.336 55.398 54.000 0.104 0.000 0.848 48 D CB -0.236 40.614 40.800 0.085 0.000 0.998 48 D HN 0.237 nan 8.370 nan 0.000 0.474 49 D N -0.596 119.840 120.400 0.060 0.000 2.380 49 D HA 0.230 4.871 4.640 0.001 0.000 0.212 49 D C 1.373 177.694 176.300 0.034 0.000 1.021 49 D CA 0.869 54.890 54.000 0.035 0.000 0.884 49 D CB 1.313 42.136 40.800 0.038 0.000 1.001 49 D HN 0.218 nan 8.370 nan 0.000 0.506 50 G N 0.631 109.471 108.800 0.068 0.000 2.725 50 G HA2 -0.157 3.804 3.960 0.001 0.000 0.220 50 G HA3 -0.157 3.804 3.960 0.001 0.000 0.220 50 G C -0.931 174.045 174.900 0.126 0.000 1.357 50 G CA -0.561 44.602 45.100 0.106 0.000 0.866 50 G HN 0.181 nan 8.290 nan 0.000 0.548 51 L N -0.261 121.056 121.223 0.157 0.000 2.371 51 L HA 0.823 5.164 4.340 0.001 0.000 0.262 51 L C 0.705 177.650 176.870 0.126 0.000 1.006 51 L CA -0.593 54.338 54.840 0.152 0.000 0.818 51 L CB 2.138 44.343 42.059 0.243 0.000 1.354 51 L HN 1.364 nan 8.230 nan 0.000 0.415 52 A N 1.403 124.252 122.820 0.049 0.000 2.281 52 A HA 0.946 5.267 4.320 0.001 0.000 0.329 52 A C -0.976 176.621 177.584 0.021 0.000 1.122 52 A CA -0.296 51.733 52.037 -0.014 0.000 0.850 52 A CB 1.068 20.000 19.000 -0.113 0.000 1.207 52 A HN 0.646 nan 8.150 nan 0.000 0.495 53 F N -1.142 118.686 119.950 -0.204 0.000 2.779 53 F HA 0.615 5.142 4.527 0.001 0.000 0.316 53 F C -1.138 174.584 175.800 -0.130 0.000 1.164 53 F CA -1.162 56.719 58.000 -0.198 0.000 0.924 53 F CB 1.168 40.095 39.000 -0.121 0.000 1.348 53 F HN 0.421 nan 8.300 nan 0.000 0.467 54 D N 0.966 121.339 120.400 -0.045 0.000 2.411 54 D HA 0.309 4.950 4.640 0.001 0.000 0.225 54 D C 1.147 177.421 176.300 -0.042 0.000 1.156 54 D CA 0.157 54.089 54.000 -0.113 0.000 0.874 54 D CB 1.236 42.030 40.800 -0.011 0.000 1.034 54 D HN 0.869 nan 8.370 nan 0.000 0.502 55 G N 2.222 110.830 108.800 -0.320 0.000 2.471 55 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 55 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 55 G C 1.399 176.385 174.900 0.143 0.000 1.125 55 G CA 0.903 45.978 45.100 -0.042 0.000 0.775 55 G HN 0.539 nan 8.290 nan 0.000 0.548 56 S N -0.290 115.439 115.700 0.049 0.000 2.489 56 S HA 0.081 4.551 4.470 0.001 0.000 0.228 56 S C 2.035 176.692 174.600 0.094 0.000 0.995 56 S CA 1.189 59.434 58.200 0.075 0.000 0.934 56 S CB 0.036 63.256 63.200 0.033 0.000 0.771 56 S HN 0.103 nan 8.310 nan 0.000 0.522 57 S N 0.994 116.753 115.700 0.100 0.000 2.575 57 S HA 0.399 4.869 4.470 0.001 0.000 0.215 57 S C 0.205 174.850 174.600 0.075 0.000 0.966 57 S CA -0.259 57.992 58.200 0.084 0.000 0.911 57 S CB -0.095 63.148 63.200 0.073 0.000 0.780 57 S HN 0.435 nan 8.310 nan 0.000 0.514 58 I N 2.583 123.208 120.570 0.091 0.000 2.359 58 I HA 0.340 4.510 4.170 0.001 0.000 0.294 58 I C 0.425 176.491 176.117 -0.086 0.000 0.987 58 I CA -0.646 60.613 61.300 -0.069 0.000 1.225 58 I CB 0.990 38.858 38.000 -0.220 0.000 1.366 58 I HN -0.053 nan 8.210 nan 0.000 0.466 59 R N 3.336 123.758 120.500 -0.129 0.000 2.489 59 R HA 0.335 4.676 4.340 0.001 0.000 0.287 59 R C 1.098 177.376 176.300 -0.036 0.000 1.053 59 R CA 0.693 56.765 56.100 -0.046 0.000 1.036 59 R CB 0.245 30.484 30.300 -0.102 0.000 0.966 59 R HN 0.989 nan 8.270 nan 0.000 0.432 60 G N 1.842 110.713 108.800 0.119 0.000 2.162 60 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 60 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 60 G C 0.063 175.284 174.900 0.535 0.000 0.976 60 G CA 0.077 45.328 45.100 0.251 0.000 0.655 60 G HN 0.458 nan 8.290 nan 0.000 0.533 61 F N 0.299 120.371 119.950 0.203 0.000 2.646 61 F HA 0.513 5.040 4.527 0.001 0.000 0.180 61 F C 1.454 177.391 175.800 0.229 0.000 1.185 61 F CA -0.063 58.118 58.000 0.302 0.000 0.926 61 F CB -0.781 38.401 39.000 0.304 0.000 1.668 61 F HN 0.023 nan 8.300 nan 0.000 0.658 62 Q N 0.447 120.456 119.800 0.348 0.000 2.193 62 Q HA 0.346 4.687 4.340 0.001 0.000 0.246 62 Q C -0.179 175.874 176.000 0.088 0.000 0.959 62 Q CA -0.475 55.408 55.803 0.135 0.000 0.904 62 Q CB 1.550 30.280 28.738 -0.014 0.000 1.238 62 Q HN 0.495 nan 8.270 nan 0.000 0.469 63 S N -0.644 115.056 115.700 -0.001 0.000 2.669 63 S HA 0.299 4.770 4.470 0.001 0.000 0.270 63 S C 1.176 175.743 174.600 -0.055 0.000 1.225 63 S CA -0.703 57.494 58.200 -0.006 0.000 0.991 63 S CB 0.547 63.744 63.200 -0.005 0.000 0.987 63 S HN 0.716 nan 8.310 nan 0.000 0.552 64 I N 1.146 121.749 120.570 0.055 0.000 2.394 64 I HA -0.197 3.974 4.170 0.001 0.000 0.251 64 I C 2.312 178.461 176.117 0.054 0.000 1.136 64 I CA 1.411 62.747 61.300 0.060 0.000 1.425 64 I CB -0.218 37.837 38.000 0.093 0.000 1.079 64 I HN 0.882 nan 8.210 nan 0.000 0.425 65 H N -0.132 118.949 119.070 0.017 0.000 2.548 65 H HA 0.111 4.667 4.556 0.001 0.000 0.268 65 H C 0.383 175.722 175.328 0.018 0.000 0.975 65 H CA 0.356 56.413 56.048 0.016 0.000 1.195 65 H CB -0.310 29.465 29.762 0.020 0.000 1.397 65 H HN 0.474 nan 8.280 nan 0.000 0.572 66 E N 1.427 121.411 120.200 -0.360 0.000 2.989 66 E HA 0.092 4.443 4.350 0.001 0.000 0.207 66 E C 0.981 177.474 176.600 -0.179 0.000 0.989 66 E CA 0.069 56.332 56.400 -0.227 0.000 1.186 66 E CB 0.878 30.412 29.700 -0.276 0.000 1.141 66 E HN 0.462 nan 8.360 nan 0.000 0.454 67 S N -0.164 115.446 115.700 -0.151 0.000 2.345 67 S HA -0.127 4.344 4.470 0.001 0.000 0.220 67 S C 0.771 175.202 174.600 -0.281 0.000 1.031 67 S CA 0.485 58.585 58.200 -0.168 0.000 0.996 67 S CB -0.319 62.814 63.200 -0.111 0.000 0.882 67 S HN 0.123 nan 8.310 nan 0.000 0.445 68 D N 2.609 122.841 120.400 -0.280 0.000 2.586 68 D HA 0.286 4.927 4.640 0.001 0.000 0.234 68 D C -0.004 175.995 176.300 -0.503 0.000 1.132 68 D CA 0.968 54.742 54.000 -0.376 0.000 0.860 68 D CB 0.097 40.708 40.800 -0.315 0.000 1.159 68 D HN 0.213 nan 8.370 nan 0.000 0.490 69 M N 1.309 120.477 119.600 -0.721 0.000 2.691 69 M HA 0.518 4.998 4.480 0.001 0.000 0.293 69 M C -0.804 175.206 176.300 -0.483 0.000 1.259 69 M CA -0.963 53.895 55.300 -0.738 0.000 0.827 69 M CB 1.731 33.670 32.600 -1.101 0.000 1.753 69 M HN 0.268 nan 8.290 nan 0.000 0.465 70 L N 1.067 122.173 121.223 -0.195 0.000 2.341 70 L HA 0.789 5.130 4.340 0.001 0.000 0.267 70 L C -1.794 175.186 176.870 0.183 0.000 1.009 70 L CA -0.395 54.450 54.840 0.008 0.000 0.819 70 L CB 1.838 43.883 42.059 -0.023 0.000 1.323 70 L HN 0.634 nan 8.230 nan 0.000 0.425 71 L N 4.602 125.946 121.223 0.201 0.000 2.408 71 L HA 0.587 4.928 4.340 0.001 0.000 0.268 71 L C -1.269 175.821 176.870 0.367 0.000 0.986 71 L CA -0.492 54.511 54.840 0.272 0.000 0.820 71 L CB 1.971 44.100 42.059 0.117 0.000 1.303 71 L HN 0.455 nan 8.230 nan 0.000 0.411 72 L N 4.518 125.967 121.223 0.376 0.000 2.356 72 L HA 0.567 4.908 4.340 0.001 0.000 0.277 72 L C -2.288 174.497 176.870 -0.141 0.000 0.996 72 L CA -1.847 53.066 54.840 0.122 0.000 0.822 72 L CB 2.475 44.478 42.059 -0.094 0.000 1.256 72 L HN 0.296 nan 8.230 nan 0.000 0.413 73 P HA 0.019 nan 4.420 nan 0.000 0.272 73 P C -1.225 175.764 177.300 -0.518 0.000 1.223 73 P CA -0.133 62.129 63.100 -1.398 0.000 0.784 73 P CB 1.041 31.817 31.700 -1.541 0.000 0.923 74 D N 2.901 123.035 120.400 -0.442 0.000 2.464 74 D HA 0.186 4.827 4.640 0.001 0.000 0.243 74 D C -1.528 174.723 176.300 -0.082 0.000 1.104 74 D CA -2.572 51.371 54.000 -0.094 0.000 0.883 74 D CB 0.846 41.582 40.800 -0.107 0.000 1.050 74 D HN 0.088 nan 8.370 nan 0.000 0.524 75 P HA -0.136 nan 4.420 nan 0.000 0.221 75 P C 0.879 178.185 177.300 0.009 0.000 1.145 75 P CA 0.759 63.895 63.100 0.060 0.000 0.795 75 P CB 0.542 32.312 31.700 0.118 0.000 0.775 76 E N -0.222 119.989 120.200 0.017 0.000 2.265 76 E HA -0.104 4.247 4.350 0.001 0.000 0.196 76 E C 1.509 178.073 176.600 -0.060 0.000 0.996 76 E CA 1.740 58.133 56.400 -0.012 0.000 0.832 76 E CB -0.639 29.095 29.700 0.056 0.000 0.756 76 E HN 0.439 nan 8.360 nan 0.000 0.491 77 T N -2.040 112.479 114.554 -0.059 0.000 3.145 77 T HA 0.431 4.781 4.350 0.001 0.000 0.255 77 T C 0.599 175.245 174.700 -0.089 0.000 1.039 77 T CA -0.080 61.972 62.100 -0.081 0.000 0.928 77 T CB 0.326 69.145 68.868 -0.081 0.000 1.029 77 T HN 0.058 nan 8.240 nan 0.000 0.554 78 A N 2.471 125.244 122.820 -0.077 0.000 2.404 78 A HA 0.659 4.979 4.320 0.001 0.000 0.273 78 A C 0.172 177.712 177.584 -0.074 0.000 1.144 78 A CA -0.565 51.428 52.037 -0.073 0.000 0.806 78 A CB 0.213 19.185 19.000 -0.046 0.000 1.080 78 A HN 0.390 nan 8.150 nan 0.000 0.509 79 R N 2.229 122.685 120.500 -0.074 0.000 2.698 79 R HA 0.392 4.732 4.340 0.001 0.000 0.275 79 R C -1.003 175.266 176.300 -0.051 0.000 1.001 79 R CA -0.937 55.127 56.100 -0.061 0.000 0.896 79 R CB 1.155 31.421 30.300 -0.056 0.000 1.218 79 R HN 0.599 nan 8.270 nan 0.000 0.462 80 I N 1.875 122.421 120.570 -0.041 0.000 2.496 80 I HA 0.021 4.192 4.170 0.001 0.000 0.285 80 I C 0.900 176.994 176.117 -0.038 0.000 1.080 80 I CA -0.032 61.246 61.300 -0.036 0.000 1.404 80 I CB 0.305 38.285 38.000 -0.032 0.000 1.403 80 I HN 0.399 nan 8.210 nan 0.000 0.539 81 D N 9.058 129.445 120.400 -0.021 0.000 2.383 81 D HA 0.095 4.736 4.640 0.001 0.000 0.252 81 D C -1.674 174.561 176.300 -0.108 0.000 1.166 81 D CA -1.112 52.889 54.000 0.001 0.000 0.879 81 D CB 1.892 42.741 40.800 0.082 0.000 1.164 81 D HN 0.275 nan 8.370 nan 0.000 0.462 82 P HA 0.064 nan 4.420 nan 0.000 0.241 82 P C 0.478 177.442 177.300 -0.560 0.000 1.191 82 P CA 0.485 63.246 63.100 -0.565 0.000 0.771 82 P CB 0.113 31.277 31.700 -0.893 0.000 0.929 83 F N -0.799 119.174 119.950 0.038 0.000 2.553 83 F HA 0.265 4.793 4.527 0.001 0.000 0.282 83 F C 1.260 177.082 175.800 0.037 0.000 1.089 83 F CA -0.297 57.714 58.000 0.019 0.000 1.411 83 F CB -0.577 38.411 39.000 -0.021 0.000 1.125 83 F HN -0.381 nan 8.300 nan 0.000 0.610 84 R N 0.943 121.569 120.500 0.210 0.000 2.401 84 R HA 0.360 4.700 4.340 0.001 0.000 0.299 84 R C 1.289 177.658 176.300 0.114 0.000 1.064 84 R CA 0.316 56.508 56.100 0.153 0.000 1.000 84 R CB 0.872 31.257 30.300 0.141 0.000 0.973 84 R HN 0.198 nan 8.270 nan 0.000 0.438 85 A N 3.504 126.388 122.820 0.106 0.000 1.940 85 A HA -0.091 4.229 4.320 0.001 0.000 0.219 85 A C 1.043 178.685 177.584 0.096 0.000 1.176 85 A CA 1.602 53.692 52.037 0.089 0.000 0.631 85 A CB -0.188 18.860 19.000 0.081 0.000 0.814 85 A HN 0.739 nan 8.150 nan 0.000 0.446 86 A N -0.041 122.859 122.820 0.134 0.000 2.354 86 A HA 0.491 4.812 4.320 0.001 0.000 0.281 86 A C 0.197 177.881 177.584 0.167 0.000 1.174 86 A CA -0.501 51.645 52.037 0.181 0.000 0.828 86 A CB -0.003 19.204 19.000 0.345 0.000 1.099 86 A HN 0.260 nan 8.150 nan 0.000 0.516 87 K N 2.169 122.628 120.400 0.098 0.000 2.430 87 K HA 0.190 4.510 4.320 0.001 0.000 0.280 87 K C -0.356 176.292 176.600 0.080 0.000 1.063 87 K CA 1.036 57.360 56.287 0.062 0.000 1.071 87 K CB -0.140 32.373 32.500 0.023 0.000 0.899 87 K HN 0.644 nan 8.250 nan 0.000 0.473 88 T N 4.791 119.390 114.554 0.075 0.000 2.861 88 T HA 0.424 4.774 4.350 0.001 0.000 0.287 88 T C -1.350 173.354 174.700 0.008 0.000 1.003 88 T CA -0.750 61.395 62.100 0.075 0.000 0.977 88 T CB 1.081 70.013 68.868 0.107 0.000 0.996 88 T HN 0.415 nan 8.240 nan 0.000 0.448 89 L N 3.804 125.006 121.223 -0.036 0.000 2.305 89 L HA 0.565 4.906 4.340 0.001 0.000 0.284 89 L C -0.792 176.005 176.870 -0.121 0.000 1.013 89 L CA -0.482 54.306 54.840 -0.087 0.000 0.819 89 L CB 0.860 42.841 42.059 -0.129 0.000 1.227 89 L HN 0.443 nan 8.230 nan 0.000 0.417 90 N N 6.412 125.047 118.700 -0.108 0.000 2.455 90 N HA 0.558 5.299 4.740 0.001 0.000 0.280 90 N C -1.006 174.437 175.510 -0.112 0.000 1.055 90 N CA -0.029 52.944 53.050 -0.128 0.000 0.961 90 N CB 1.709 40.104 38.487 -0.154 0.000 1.121 90 N HN 0.539 nan 8.380 nan 0.000 0.476 91 I N 1.402 121.928 120.570 -0.074 0.000 2.533 91 I HA 0.252 4.422 4.170 0.001 0.000 0.290 91 I C -0.455 175.712 176.117 0.084 0.000 1.056 91 I CA -0.969 60.314 61.300 -0.029 0.000 1.057 91 I CB 1.811 39.784 38.000 -0.046 0.000 1.240 91 I HN 0.176 nan 8.210 nan 0.000 0.423 92 N N 4.800 123.491 118.700 -0.016 0.000 2.530 92 N HA 0.528 5.268 4.740 0.001 0.000 0.277 92 N C -1.129 174.360 175.510 -0.036 0.000 1.168 92 N CA 0.162 53.216 53.050 0.008 0.000 0.979 92 N CB 0.762 39.181 38.487 -0.113 0.000 1.141 92 N HN 0.332 nan 8.380 nan 0.000 0.459 93 F N 0.397 120.216 119.950 -0.219 0.000 2.561 93 F HA 0.491 5.019 4.527 0.001 0.000 0.321 93 F C -0.117 175.526 175.800 -0.263 0.000 1.065 93 F CA -1.019 56.873 58.000 -0.180 0.000 0.934 93 F CB 1.255 40.209 39.000 -0.077 0.000 1.215 93 F HN 0.227 nan 8.300 nan 0.000 0.471 94 F N 1.379 121.434 119.950 0.175 0.000 2.385 94 F HA 0.500 5.027 4.527 0.001 0.000 0.336 94 F C -0.043 175.884 175.800 0.213 0.000 1.100 94 F CA -0.922 57.163 58.000 0.141 0.000 1.116 94 F CB 1.083 40.175 39.000 0.153 0.000 1.166 94 F HN -0.069 nan 8.300 nan 0.000 0.511 95 V N 3.650 123.717 119.914 0.256 0.000 2.498 95 V HA 0.263 4.384 4.120 0.001 0.000 0.279 95 V C -0.053 176.060 176.094 0.031 0.000 1.048 95 V CA -0.477 61.910 62.300 0.144 0.000 0.967 95 V CB 0.515 32.372 31.823 0.057 0.000 0.988 95 V HN 0.676 nan 8.190 nan 0.000 0.473 96 H N 1.918 120.997 119.070 0.016 0.000 2.821 96 H HA 0.288 4.845 4.556 0.001 0.000 0.373 96 H C -0.742 174.523 175.328 -0.106 0.000 1.165 96 H CA -0.771 55.272 56.048 -0.008 0.000 1.154 96 H CB 2.383 32.154 29.762 0.014 0.000 1.765 96 H HN 0.693 nan 8.280 nan 0.000 0.549 97 D N 2.891 123.312 120.400 0.036 0.000 2.458 97 D HA -0.017 4.624 4.640 0.001 0.000 0.243 97 D C -1.595 174.673 176.300 -0.053 0.000 1.146 97 D CA -1.157 52.825 54.000 -0.029 0.000 0.877 97 D CB 1.619 42.453 40.800 0.057 0.000 1.176 97 D HN 0.282 nan 8.370 nan 0.000 0.461 98 P HA -0.057 nan 4.420 nan 0.000 0.229 98 P C 1.036 178.146 177.300 -0.317 0.000 1.160 98 P CA 0.645 63.560 63.100 -0.309 0.000 0.777 98 P CB 0.116 31.512 31.700 -0.506 0.000 0.814 99 F N 0.881 120.810 119.950 -0.035 0.000 2.243 99 F HA 0.007 4.534 4.527 0.001 0.000 0.287 99 F C 2.574 178.370 175.800 -0.008 0.000 1.067 99 F CA 1.898 59.884 58.000 -0.022 0.000 1.304 99 F CB -1.600 37.386 39.000 -0.023 0.000 1.087 99 F HN -0.083 nan 8.300 nan 0.000 0.513 100 T N -2.230 112.445 114.554 0.203 0.000 3.065 100 T HA 0.136 4.487 4.350 0.001 0.000 0.252 100 T C 1.165 175.919 174.700 0.090 0.000 1.099 100 T CA 0.455 62.627 62.100 0.121 0.000 1.063 100 T CB -0.466 68.462 68.868 0.099 0.000 0.948 100 T HN 0.275 nan 8.240 nan 0.000 0.506 101 L N -0.801 120.475 121.223 0.090 0.000 4.625 101 L HA -0.152 4.188 4.340 0.001 0.000 0.428 101 L C -0.084 176.919 176.870 0.221 0.000 1.129 101 L CA 0.472 55.373 54.840 0.103 0.000 0.978 101 L CB -2.092 39.984 42.059 0.028 0.000 2.043 101 L HN 0.356 nan 8.230 nan 0.000 0.847 102 E N 1.116 121.410 120.200 0.156 0.000 2.373 102 E HA 0.259 4.610 4.350 0.001 0.000 0.267 102 E C -1.944 174.683 176.600 0.045 0.000 1.032 102 E CA -1.722 54.746 56.400 0.113 0.000 0.889 102 E CB 0.437 30.168 29.700 0.051 0.000 0.984 102 E HN 0.001 nan 8.360 nan 0.000 0.425 103 P HA -0.082 nan 4.420 nan 0.000 0.266 103 P C -0.501 176.700 177.300 -0.165 0.000 1.195 103 P CA 0.241 63.081 63.100 -0.434 0.000 0.768 103 P CB 0.129 31.617 31.700 -0.353 0.000 0.838 104 Y N 2.454 122.564 120.300 -0.318 0.000 2.377 104 Y HA 0.069 4.620 4.550 0.001 0.000 0.330 104 Y C 1.668 177.433 175.900 -0.225 0.000 1.108 104 Y CA -0.342 57.611 58.100 -0.245 0.000 1.308 104 Y CB 0.511 38.797 38.460 -0.291 0.000 1.216 104 Y HN 0.421 nan 8.280 nan 0.000 0.518 105 S N 4.463 119.890 115.700 -0.455 0.000 2.474 105 S HA -0.033 4.437 4.470 0.001 0.000 0.235 105 S C 1.058 175.318 174.600 -0.566 0.000 0.997 105 S CA 0.832 58.770 58.200 -0.436 0.000 0.949 105 S CB -0.117 62.896 63.200 -0.312 0.000 0.766 105 S HN 0.798 nan 8.310 nan 0.000 0.517 106 R N 0.947 120.841 120.500 -1.010 0.000 2.613 106 R HA 0.277 4.618 4.340 0.001 0.000 0.361 106 R C -0.924 175.117 176.300 -0.432 0.000 1.072 106 R CA -0.143 55.542 56.100 -0.692 0.000 1.089 106 R CB 0.157 30.070 30.300 -0.644 0.000 1.343 106 R HN 0.299 nan 8.270 nan 0.000 0.571 107 D N 1.318 121.529 120.400 -0.314 0.000 2.339 107 D HA 0.121 4.762 4.640 0.001 0.000 0.241 107 D C -1.691 174.548 176.300 -0.102 0.000 1.183 107 D CA -2.482 51.494 54.000 -0.040 0.000 0.859 107 D CB 1.741 42.563 40.800 0.037 0.000 1.067 107 D HN -0.135 nan 8.370 nan 0.000 0.484 108 P HA -0.133 nan 4.420 nan 0.000 0.216 108 P C 1.111 178.221 177.300 -0.317 0.000 1.150 108 P CA 1.188 64.184 63.100 -0.172 0.000 0.843 108 P CB 0.224 31.869 31.700 -0.091 0.000 0.787 109 R N -1.159 119.053 120.500 -0.479 0.000 2.148 109 R HA -0.109 4.231 4.340 0.001 0.000 0.227 109 R C 2.082 178.411 176.300 0.049 0.000 1.103 109 R CA 1.228 57.081 56.100 -0.413 0.000 0.983 109 R CB -0.852 29.113 30.300 -0.557 0.000 0.874 109 R HN 0.211 nan 8.270 nan 0.000 0.451 110 N N 1.033 119.757 118.700 0.039 0.000 2.188 110 N HA -0.111 4.630 4.740 0.001 0.000 0.184 110 N C 1.580 177.013 175.510 -0.128 0.000 1.018 110 N CA 1.043 54.080 53.050 -0.022 0.000 0.858 110 N CB 0.033 38.457 38.487 -0.105 0.000 0.989 110 N HN 0.017 nan 8.380 nan 0.000 0.426 111 I N 0.886 121.326 120.570 -0.216 0.000 2.226 111 I HA -0.164 4.007 4.170 0.001 0.000 0.245 111 I C 2.287 178.266 176.117 -0.230 0.000 1.100 111 I CA 1.115 62.204 61.300 -0.352 0.000 1.374 111 I CB -1.856 35.789 38.000 -0.592 0.000 1.057 111 I HN 0.147 nan 8.210 nan 0.000 0.413 112 A N 0.608 123.367 122.820 -0.103 0.000 1.902 112 A HA -0.212 4.109 4.320 0.001 0.000 0.217 112 A C 2.554 180.145 177.584 0.012 0.000 1.181 112 A CA 1.380 53.417 52.037 -0.000 0.000 0.623 112 A CB -0.620 18.462 19.000 0.136 0.000 0.818 112 A HN 0.285 nan 8.150 nan 0.000 0.443 113 R N -0.175 120.337 120.500 0.020 0.000 2.080 113 R HA -0.144 4.197 4.340 0.001 0.000 0.236 113 R C 2.179 178.458 176.300 -0.035 0.000 1.137 113 R CA 1.917 58.015 56.100 -0.004 0.000 0.943 113 R CB -0.267 30.002 30.300 -0.052 0.000 0.846 113 R HN 0.532 nan 8.270 nan 0.000 0.431 114 K N -0.364 119.994 120.400 -0.069 0.000 2.097 114 K HA -0.096 4.224 4.320 0.001 0.000 0.206 114 K C 2.085 178.688 176.600 0.004 0.000 1.049 114 K CA 1.263 57.514 56.287 -0.059 0.000 0.933 114 K CB -0.121 32.305 32.500 -0.124 0.000 0.717 114 K HN 0.169 nan 8.250 nan 0.000 0.442 115 A N 1.832 124.646 122.820 -0.009 0.000 1.877 115 A HA -0.221 4.100 4.320 0.001 0.000 0.216 115 A C 1.935 179.600 177.584 0.136 0.000 1.186 115 A CA 1.548 53.630 52.037 0.075 0.000 0.620 115 A CB -0.416 18.616 19.000 0.054 0.000 0.822 115 A HN 0.295 nan 8.150 nan 0.000 0.443 116 E N -0.292 119.955 120.200 0.078 0.000 2.110 116 E HA -0.174 4.177 4.350 0.001 0.000 0.193 116 E C 1.688 178.324 176.600 0.059 0.000 0.988 116 E CA 1.088 57.527 56.400 0.064 0.000 0.804 116 E CB -0.183 29.528 29.700 0.019 0.000 0.745 116 E HN 0.547 nan 8.360 nan 0.000 0.458 117 N N 0.085 118.819 118.700 0.056 0.000 2.216 117 N HA -0.138 4.603 4.740 0.001 0.000 0.183 117 N C 1.673 177.229 175.510 0.078 0.000 1.017 117 N CA 0.695 53.773 53.050 0.046 0.000 0.861 117 N CB -0.235 38.268 38.487 0.026 0.000 0.986 117 N HN 0.226 nan 8.380 nan 0.000 0.428 118 Y N 1.865 122.167 120.300 0.003 0.000 2.181 118 Y HA -0.165 4.386 4.550 0.001 0.000 0.288 118 Y C 2.312 178.231 175.900 0.032 0.000 1.146 118 Y CA 1.015 59.124 58.100 0.015 0.000 1.164 118 Y CB -0.550 37.920 38.460 0.017 0.000 0.982 118 Y HN -0.046 nan 8.280 nan 0.000 0.515 119 L N 0.629 121.865 121.223 0.023 0.000 1.990 119 L HA -0.262 4.079 4.340 0.001 0.000 0.213 119 L C 2.221 179.034 176.870 -0.094 0.000 1.072 119 L CA 2.111 56.927 54.840 -0.039 0.000 0.755 119 L CB -0.987 41.123 42.059 0.086 0.000 0.889 119 L HN 0.382 nan 8.230 nan 0.000 0.432 120 I N -0.450 120.092 120.570 -0.046 0.000 2.208 120 I HA -0.323 3.848 4.170 0.001 0.000 0.245 120 I C 2.596 178.666 176.117 -0.078 0.000 1.097 120 I CA 1.612 62.889 61.300 -0.040 0.000 1.363 120 I CB -0.567 37.426 38.000 -0.012 0.000 1.051 120 I HN 0.540 nan 8.210 nan 0.000 0.413 121 S N -0.194 115.435 115.700 -0.118 0.000 2.474 121 S HA -0.158 4.313 4.470 0.001 0.000 0.235 121 S C 1.959 176.445 174.600 -0.190 0.000 0.997 121 S CA 1.379 59.501 58.200 -0.130 0.000 0.949 121 S CB -0.937 62.202 63.200 -0.102 0.000 0.766 121 S HN 0.615 nan 8.310 nan 0.000 0.517 122 T N -3.192 111.195 114.554 -0.278 0.000 3.043 122 T HA 0.419 4.770 4.350 0.001 0.000 0.263 122 T C 1.870 176.502 174.700 -0.112 0.000 1.094 122 T CA 1.004 62.958 62.100 -0.242 0.000 1.127 122 T CB -0.654 68.026 68.868 -0.313 0.000 0.905 122 T HN 1.182 nan 8.240 nan 0.000 0.490 123 G N 1.375 110.126 108.800 -0.081 0.000 2.267 123 G HA2 -0.316 3.645 3.960 0.001 0.000 0.257 123 G HA3 -0.316 3.645 3.960 0.001 0.000 0.257 123 G C 0.908 175.797 174.900 -0.017 0.000 0.998 123 G CA 0.377 45.454 45.100 -0.037 0.000 0.620 123 G HN 0.568 nan 8.290 nan 0.000 0.529 124 I N 0.972 121.530 120.570 -0.020 0.000 2.163 124 I HA 0.197 4.368 4.170 0.001 0.000 0.243 124 I C 1.664 177.800 176.117 0.032 0.000 1.085 124 I CA 1.841 63.149 61.300 0.012 0.000 1.347 124 I CB -0.315 37.701 38.000 0.027 0.000 1.044 124 I HN 0.724 nan 8.210 nan 0.000 0.408 125 A N 0.161 123.002 122.820 0.035 0.000 2.581 125 A HA 0.430 4.750 4.320 0.001 0.000 0.290 125 A C -0.833 176.781 177.584 0.050 0.000 1.119 125 A CA -0.129 51.945 52.037 0.061 0.000 0.670 125 A CB 0.760 19.817 19.000 0.095 0.000 1.280 125 A HN 0.220 nan 8.150 nan 0.000 0.425 126 D N -1.476 118.966 120.400 0.069 0.000 2.479 126 D HA 0.270 4.911 4.640 0.001 0.000 0.216 126 D C 0.060 176.375 176.300 0.026 0.000 1.110 126 D CA 0.726 54.754 54.000 0.046 0.000 0.841 126 D CB 0.647 41.477 40.800 0.050 0.000 1.040 126 D HN 0.358 nan 8.370 nan 0.000 0.505 127 T N 0.180 114.750 114.554 0.026 0.000 2.991 127 T HA 0.724 5.074 4.350 0.001 0.000 0.303 127 T C -1.073 173.556 174.700 -0.118 0.000 1.015 127 T CA -0.809 61.219 62.100 -0.120 0.000 1.007 127 T CB 1.878 70.575 68.868 -0.285 0.000 1.034 127 T HN 0.202 nan 8.240 nan 0.000 0.446 128 A N 2.905 125.659 122.820 -0.111 0.000 2.273 128 A HA 0.719 5.040 4.320 0.001 0.000 0.315 128 A C -1.219 176.354 177.584 -0.018 0.000 1.256 128 A CA -0.617 51.434 52.037 0.023 0.000 0.851 128 A CB 0.184 19.351 19.000 0.278 0.000 1.172 128 A HN 0.777 nan 8.150 nan 0.000 0.508 129 Y N 1.223 121.564 120.300 0.069 0.000 2.313 129 Y HA 0.510 5.060 4.550 0.001 0.000 0.332 129 Y C -0.403 175.441 175.900 -0.092 0.000 1.071 129 Y CA -0.141 58.003 58.100 0.073 0.000 1.169 129 Y CB 1.046 39.458 38.460 -0.079 0.000 1.192 129 Y HN 0.577 nan 8.280 nan 0.000 0.487 130 F N 1.543 121.587 119.950 0.156 0.000 2.449 130 F HA 0.634 5.162 4.527 0.001 0.000 0.342 130 F C 0.560 176.392 175.800 0.053 0.000 1.127 130 F CA -0.882 57.086 58.000 -0.054 0.000 0.975 130 F CB 1.918 40.661 39.000 -0.428 0.000 1.146 130 F HN 0.572 nan 8.300 nan 0.000 0.444 131 G N 1.868 110.748 108.800 0.133 0.000 2.470 131 G HA2 0.713 4.674 3.960 0.001 0.000 0.320 131 G HA3 0.713 4.674 3.960 0.001 0.000 0.320 131 G C -1.569 173.384 174.900 0.089 0.000 1.245 131 G CA -0.699 44.469 45.100 0.113 0.000 0.935 131 G HN 0.848 nan 8.290 nan 0.000 0.476 132 A N 2.343 125.164 122.820 0.001 0.000 2.380 132 A HA 0.862 5.183 4.320 0.001 0.000 0.315 132 A C -0.494 177.056 177.584 -0.057 0.000 1.101 132 A CA -0.816 51.261 52.037 0.068 0.000 0.771 132 A CB 1.525 20.647 19.000 0.203 0.000 1.287 132 A HN 0.608 nan 8.150 nan 0.000 0.436 133 E N 1.218 121.448 120.200 0.050 0.000 2.437 133 E HA 0.468 4.819 4.350 0.001 0.000 0.238 133 E C -0.622 176.003 176.600 0.042 0.000 0.969 133 E CA -0.467 55.936 56.400 0.006 0.000 0.759 133 E CB 1.674 31.410 29.700 0.061 0.000 1.283 133 E HN 0.703 nan 8.360 nan 0.000 0.416 134 A N 3.854 126.748 122.820 0.123 0.000 2.506 134 A HA 0.194 4.515 4.320 0.001 0.000 0.320 134 A C 0.073 177.957 177.584 0.500 0.000 1.424 134 A CA -0.437 51.820 52.037 0.366 0.000 1.044 134 A CB 0.010 19.330 19.000 0.532 0.000 1.140 134 A HN 0.528 nan 8.150 nan 0.000 0.538 135 E N 0.930 121.262 120.200 0.221 0.000 2.374 135 E HA 0.540 4.891 4.350 0.001 0.000 0.260 135 E C -0.522 176.063 176.600 -0.026 0.000 1.101 135 E CA 0.170 56.563 56.400 -0.012 0.000 0.907 135 E CB 0.776 30.386 29.700 -0.150 0.000 1.014 135 E HN 0.691 nan 8.360 nan 0.000 0.427 136 F N -1.497 118.189 119.950 -0.441 0.000 2.711 136 F HA 0.507 5.035 4.527 0.001 0.000 0.313 136 F C -1.607 173.774 175.800 -0.699 0.000 1.141 136 F CA -1.325 56.250 58.000 -0.709 0.000 0.941 136 F CB 0.879 39.110 39.000 -1.283 0.000 1.349 136 F HN 0.245 nan 8.300 nan 0.000 0.464 137 Y N 1.697 121.740 120.300 -0.429 0.000 2.352 137 Y HA 0.616 5.167 4.550 0.001 0.000 0.339 137 Y C -0.085 175.440 175.900 -0.624 0.000 0.992 137 Y CA -0.800 56.885 58.100 -0.692 0.000 1.100 137 Y CB 1.845 39.623 38.460 -1.137 0.000 1.192 137 Y HN 0.467 nan 8.280 nan 0.000 0.458 138 I N 5.675 125.987 120.570 -0.429 0.000 2.276 138 I HA 0.146 4.317 4.170 0.001 0.000 0.290 138 I C -0.772 175.281 176.117 -0.105 0.000 1.109 138 I CA -0.154 60.988 61.300 -0.262 0.000 1.229 138 I CB -0.371 37.422 38.000 -0.344 0.000 1.452 138 I HN 0.366 nan 8.210 nan 0.000 0.497 139 F N 3.383 123.410 119.950 0.128 0.000 2.362 139 F HA 0.249 4.777 4.527 0.001 0.000 0.311 139 F C 1.463 177.356 175.800 0.155 0.000 1.161 139 F CA -0.598 57.505 58.000 0.172 0.000 1.085 139 F CB 0.466 39.568 39.000 0.170 0.000 1.311 139 F HN 0.332 nan 8.300 nan 0.000 0.524 140 D N -0.922 119.713 120.400 0.392 0.000 2.324 140 D HA 0.081 4.722 4.640 0.001 0.000 0.212 140 D C 0.098 176.488 176.300 0.151 0.000 0.984 140 D CA 0.881 55.012 54.000 0.218 0.000 0.885 140 D CB 0.312 41.222 40.800 0.185 0.000 0.996 140 D HN 0.365 nan 8.370 nan 0.000 0.505 141 S N -1.014 114.788 115.700 0.170 0.000 2.565 141 S HA 0.617 5.088 4.470 0.001 0.000 0.269 141 S C -1.314 173.352 174.600 0.110 0.000 1.153 141 S CA -0.861 57.407 58.200 0.115 0.000 0.835 141 S CB 2.448 65.693 63.200 0.075 0.000 1.122 141 S HN -0.064 nan 8.310 nan 0.000 0.462 142 V N 1.256 121.243 119.914 0.122 0.000 2.891 142 V HA 0.889 5.010 4.120 0.001 0.000 0.304 142 V C -1.345 174.820 176.094 0.120 0.000 1.171 142 V CA 0.490 62.877 62.300 0.145 0.000 0.943 142 V CB 1.869 33.833 31.823 0.235 0.000 1.037 142 V HN 1.879 nan 8.190 nan 0.000 0.427 143 S N 5.328 121.107 115.700 0.131 0.000 2.570 143 S HA 0.993 5.464 4.470 0.001 0.000 0.270 143 S C -1.124 173.381 174.600 -0.159 0.000 1.149 143 S CA -0.598 57.577 58.200 -0.042 0.000 0.837 143 S CB 2.029 65.305 63.200 0.126 0.000 1.124 143 S HN 2.038 nan 8.310 nan 0.000 0.465 144 F N -1.110 118.530 119.950 -0.516 0.000 2.746 144 F HA 0.825 5.353 4.527 0.001 0.000 0.311 144 F C -1.647 173.736 175.800 -0.695 0.000 1.135 144 F CA -0.817 56.604 58.000 -0.964 0.000 0.954 144 F CB 0.592 39.349 39.000 -0.405 0.000 1.276 144 F HN 0.837 nan 8.300 nan 0.000 0.440 145 D N 0.175 120.291 120.400 -0.474 0.000 2.759 145 D HA 0.692 5.333 4.640 0.001 0.000 0.321 145 D C -1.658 174.651 176.300 0.015 0.000 1.267 145 D CA -0.726 53.234 54.000 -0.067 0.000 0.933 145 D CB 1.660 42.474 40.800 0.023 0.000 1.431 145 D HN 0.759 nan 8.370 nan 0.000 0.504 146 S N -0.752 114.978 115.700 0.050 0.000 2.680 146 S HA 0.597 5.067 4.470 0.001 0.000 0.262 146 S C -1.246 173.381 174.600 0.044 0.000 1.138 146 S CA -0.679 57.547 58.200 0.044 0.000 1.072 146 S CB 0.305 63.524 63.200 0.032 0.000 1.097 146 S HN 0.521 nan 8.310 nan 0.000 0.468 147 R N 1.704 122.231 120.500 0.045 0.000 2.960 147 R HA 0.770 5.111 4.340 0.001 0.000 0.249 147 R C 1.347 177.670 176.300 0.037 0.000 1.192 147 R CA -0.368 55.755 56.100 0.039 0.000 1.035 147 R CB 0.494 30.818 30.300 0.039 0.000 1.234 147 R HN 0.558 nan 8.270 nan 0.000 0.493 148 A N 0.981 123.822 122.820 0.034 0.000 1.902 148 A HA -0.173 4.148 4.320 0.001 0.000 0.217 148 A C 1.217 178.830 177.584 0.049 0.000 1.181 148 A CA 1.892 53.953 52.037 0.041 0.000 0.623 148 A CB -0.509 18.512 19.000 0.035 0.000 0.818 148 A HN 0.788 nan 8.150 nan 0.000 0.443 149 N N -0.996 117.723 118.700 0.031 0.000 2.205 149 N HA 0.313 5.054 4.740 0.001 0.000 0.201 149 N C 0.347 175.834 175.510 -0.038 0.000 1.128 149 N CA 0.931 53.993 53.050 0.019 0.000 0.867 149 N CB 0.623 39.120 38.487 0.017 0.000 0.996 149 N HN 0.453 nan 8.380 nan 0.000 0.503 150 G N -1.069 107.712 108.800 -0.032 0.000 2.489 150 G HA2 0.438 4.399 3.960 0.001 0.000 0.291 150 G HA3 0.438 4.399 3.960 0.001 0.000 0.291 150 G C -2.124 172.778 174.900 0.003 0.000 1.487 150 G CA -0.419 44.639 45.100 -0.069 0.000 0.795 150 G HN 0.154 nan 8.290 nan 0.000 0.513 151 S N -1.022 114.688 115.700 0.015 0.000 2.547 151 S HA 0.878 5.348 4.470 0.001 0.000 0.270 151 S C -1.511 173.186 174.600 0.161 0.000 1.150 151 S CA -0.555 57.692 58.200 0.078 0.000 0.850 151 S CB 1.206 64.424 63.200 0.029 0.000 1.118 151 S HN 1.871 nan 8.310 nan 0.000 0.461 152 F N 2.210 122.171 119.950 0.017 0.000 2.693 152 F HA 0.849 5.377 4.527 0.001 0.000 0.309 152 F C -1.774 174.112 175.800 0.143 0.000 1.129 152 F CA -1.122 56.881 58.000 0.005 0.000 0.948 152 F CB 0.814 39.779 39.000 -0.059 0.000 1.315 152 F HN 0.702 nan 8.300 nan 0.000 0.447 153 Y N -0.204 120.052 120.300 -0.072 0.000 2.588 153 Y HA 0.813 5.363 4.550 0.001 0.000 0.343 153 Y C -1.731 174.234 175.900 0.110 0.000 1.065 153 Y CA -1.099 56.917 58.100 -0.140 0.000 1.038 153 Y CB 2.137 40.515 38.460 -0.137 0.000 1.297 153 Y HN 0.979 nan 8.280 nan 0.000 0.467 154 E N 2.458 122.731 120.200 0.121 0.000 2.343 154 E HA 0.507 4.858 4.350 0.001 0.000 0.286 154 E C -1.848 174.754 176.600 0.003 0.000 0.915 154 E CA -0.881 55.494 56.400 -0.042 0.000 0.784 154 E CB 2.653 32.358 29.700 0.008 0.000 1.251 154 E HN 0.862 nan 8.360 nan 0.000 0.407 155 V N 0.542 120.354 119.914 -0.170 0.000 2.732 155 V HA 0.797 4.917 4.120 0.001 0.000 0.310 155 V C -0.432 175.448 176.094 -0.357 0.000 1.053 155 V CA -0.514 61.563 62.300 -0.370 0.000 0.957 155 V CB 1.875 33.188 31.823 -0.851 0.000 1.018 155 V HN 0.675 nan 8.190 nan 0.000 0.452 156 D N 0.864 121.148 120.400 -0.193 0.000 2.661 156 D HA 0.846 5.487 4.640 0.001 0.000 0.228 156 D C -1.004 175.481 176.300 0.308 0.000 1.210 156 D CA 0.301 54.408 54.000 0.178 0.000 0.826 156 D CB 2.351 43.263 40.800 0.187 0.000 1.542 156 D HN 1.279 nan 8.370 nan 0.000 0.447 157 A N 2.289 125.385 122.820 0.460 0.000 2.566 157 A HA 0.365 4.686 4.320 0.001 0.000 0.297 157 A C 0.573 178.270 177.584 0.188 0.000 1.059 157 A CA -0.667 51.605 52.037 0.391 0.000 0.691 157 A CB 0.727 20.072 19.000 0.574 0.000 1.282 157 A HN 0.637 nan 8.150 nan 0.000 0.401 158 I N 1.789 122.455 120.570 0.161 0.000 2.264 158 I HA -0.223 3.948 4.170 0.001 0.000 0.248 158 I C 2.004 178.108 176.117 -0.022 0.000 1.111 158 I CA 2.515 63.841 61.300 0.044 0.000 1.382 158 I CB 0.214 38.227 38.000 0.023 0.000 1.060 158 I HN 0.745 nan 8.210 nan 0.000 0.418 159 S N 0.129 115.869 115.700 0.068 0.000 2.593 159 S HA 0.176 4.647 4.470 0.001 0.000 0.217 159 S C 1.156 175.678 174.600 -0.130 0.000 0.966 159 S CA -0.022 58.212 58.200 0.057 0.000 0.914 159 S CB -0.775 62.602 63.200 0.296 0.000 0.776 159 S HN 0.457 nan 8.310 nan 0.000 0.523 160 G N 0.661 109.174 108.800 -0.479 0.000 2.365 160 G HA2 0.120 4.081 3.960 0.001 0.000 0.249 160 G HA3 0.120 4.081 3.960 0.001 0.000 0.249 160 G C 0.398 174.667 174.900 -1.053 0.000 1.288 160 G CA -0.670 43.596 45.100 -1.389 0.000 0.887 160 G HN 0.505 nan 8.290 nan 0.000 0.524 161 W N 2.839 123.626 121.300 -0.854 0.000 2.364 161 W HA -0.130 4.531 4.660 0.001 0.000 0.281 161 W C 1.601 177.983 176.519 -0.230 0.000 1.219 161 W CA 1.106 58.185 57.345 -0.443 0.000 1.220 161 W CB 0.068 29.274 29.460 -0.423 0.000 1.127 161 W HN 0.917 nan 8.180 nan 0.000 0.556 162 W N 0.569 121.911 121.300 0.069 0.000 2.538 162 W HA -0.033 4.628 4.660 0.001 0.000 0.254 162 W C 1.088 177.564 176.519 -0.071 0.000 1.249 162 W CA 0.872 58.239 57.345 0.036 0.000 1.253 162 W CB -1.538 27.988 29.460 0.110 0.000 1.130 162 W HN -0.239 nan 8.180 nan 0.000 0.618 163 N N 0.522 119.013 118.700 -0.349 0.000 2.236 163 N HA -0.042 4.699 4.740 0.001 0.000 0.196 163 N C 1.645 176.979 175.510 -0.293 0.000 1.114 163 N CA 1.339 54.247 53.050 -0.237 0.000 0.859 163 N CB -0.223 38.108 38.487 -0.261 0.000 0.982 163 N HN 0.388 nan 8.380 nan 0.000 0.493 164 T N -2.730 111.541 114.554 -0.473 0.000 2.849 164 T HA -0.094 4.257 4.350 0.001 0.000 0.270 164 T C 1.803 176.317 174.700 -0.310 0.000 1.066 164 T CA 1.412 63.196 62.100 -0.526 0.000 1.130 164 T CB -0.392 67.916 68.868 -0.934 0.000 0.864 164 T HN 0.149 nan 8.240 nan 0.000 0.481 165 G N 0.739 109.404 108.800 -0.225 0.000 3.042 165 G HA2 0.513 4.474 3.960 0.001 0.000 0.212 165 G HA3 0.513 4.474 3.960 0.001 0.000 0.212 165 G C 0.545 175.391 174.900 -0.089 0.000 1.166 165 G CA -0.008 45.012 45.100 -0.134 0.000 0.767 165 G HN 0.848 nan 8.290 nan 0.000 0.546 166 A N 0.362 123.127 122.820 -0.090 0.000 2.520 166 A HA 0.572 4.893 4.320 0.001 0.000 0.245 166 A C 1.774 179.327 177.584 -0.052 0.000 1.072 166 A CA 0.547 52.551 52.037 -0.055 0.000 0.761 166 A CB 0.567 19.539 19.000 -0.048 0.000 1.004 166 A HN 0.692 nan 8.150 nan 0.000 0.499 167 A N 2.447 125.245 122.820 -0.037 0.000 1.898 167 A HA 0.266 4.587 4.320 0.001 0.000 0.216 167 A C 1.409 178.975 177.584 -0.030 0.000 1.181 167 A CA 2.048 54.066 52.037 -0.033 0.000 0.620 167 A CB -0.566 18.419 19.000 -0.026 0.000 0.819 167 A HN 1.674 nan 8.150 nan 0.000 0.442 168 T N -3.877 110.661 114.554 -0.027 0.000 2.841 168 T HA 0.549 4.900 4.350 0.001 0.000 0.296 168 T C -0.792 173.896 174.700 -0.021 0.000 1.166 168 T CA -0.982 61.104 62.100 -0.023 0.000 1.007 168 T CB 1.503 70.360 68.868 -0.018 0.000 1.253 168 T HN 0.097 nan 8.240 nan 0.000 0.511 169 E N 0.072 120.260 120.200 -0.019 0.000 2.376 169 E HA 0.465 4.816 4.350 0.001 0.000 0.254 169 E C 1.587 178.184 176.600 -0.005 0.000 1.213 169 E CA 0.033 56.426 56.400 -0.013 0.000 0.945 169 E CB 0.561 30.252 29.700 -0.015 0.000 1.057 169 E HN 0.848 nan 8.360 nan 0.000 0.479 170 A N 1.441 124.263 122.820 0.004 0.000 1.978 170 A HA -0.210 4.111 4.320 0.001 0.000 0.220 170 A C 1.309 178.892 177.584 -0.002 0.000 1.170 170 A CA 2.091 54.132 52.037 0.007 0.000 0.636 170 A CB -0.468 18.543 19.000 0.018 0.000 0.810 170 A HN 0.595 nan 8.150 nan 0.000 0.448 171 D N -2.276 118.121 120.400 -0.006 0.000 2.349 171 D HA 0.260 4.900 4.640 0.001 0.000 0.224 171 D C 1.172 177.465 176.300 -0.012 0.000 1.029 171 D CA 1.009 55.003 54.000 -0.010 0.000 0.879 171 D CB -0.518 40.275 40.800 -0.013 0.000 0.906 171 D HN 0.811 nan 8.370 nan 0.000 0.528 172 G N 0.249 109.042 108.800 -0.011 0.000 2.195 172 G HA2 -0.288 3.673 3.960 0.001 0.000 0.246 172 G HA3 -0.288 3.673 3.960 0.001 0.000 0.246 172 G C 0.438 175.330 174.900 -0.014 0.000 0.984 172 G CA 0.384 45.477 45.100 -0.013 0.000 0.633 172 G HN 0.806 nan 8.290 nan 0.000 0.525 173 S N 0.661 116.353 115.700 -0.015 0.000 2.600 173 S HA 0.645 5.115 4.470 0.001 0.000 0.265 173 S C -2.092 172.498 174.600 -0.017 0.000 1.325 173 S CA -0.937 57.253 58.200 -0.016 0.000 1.002 173 S CB 1.631 64.821 63.200 -0.017 0.000 0.921 173 S HN 0.175 nan 8.310 nan 0.000 0.554 174 P HA 0.185 nan 4.420 nan 0.000 0.269 174 P C -0.535 176.752 177.300 -0.021 0.000 1.209 174 P CA -0.370 62.719 63.100 -0.018 0.000 0.776 174 P CB 0.258 31.950 31.700 -0.015 0.000 0.876 175 N N 2.524 121.207 118.700 -0.028 0.000 2.431 175 N HA 0.014 4.755 4.740 0.001 0.000 0.265 175 N C 0.406 175.902 175.510 -0.023 0.000 1.184 175 N CA 0.320 53.348 53.050 -0.037 0.000 0.943 175 N CB 0.017 38.470 38.487 -0.057 0.000 1.080 175 N HN 0.246 nan 8.380 nan 0.000 0.477 176 R N 2.481 122.977 120.500 -0.006 0.000 2.468 176 R HA 0.214 4.555 4.340 0.001 0.000 0.280 176 R C 1.036 177.388 176.300 0.087 0.000 0.963 176 R CA 0.111 56.231 56.100 0.035 0.000 1.083 176 R CB 0.022 30.344 30.300 0.037 0.000 1.200 176 R HN 0.826 nan 8.270 nan 0.000 0.541 177 G N 0.905 109.716 108.800 0.019 0.000 2.569 177 G HA2 -0.384 3.576 3.960 0.001 0.000 0.259 177 G HA3 -0.384 3.576 3.960 0.001 0.000 0.259 177 G C -0.176 174.787 174.900 0.104 0.000 1.263 177 G CA 0.052 45.142 45.100 -0.018 0.000 0.928 177 G HN 0.410 nan 8.290 nan 0.000 0.572 178 Y N -0.395 119.902 120.300 -0.005 0.000 3.825 178 Y HA -0.215 4.336 4.550 0.001 0.000 0.221 178 Y C 1.508 177.430 175.900 0.036 0.000 1.195 178 Y CA 1.611 59.724 58.100 0.022 0.000 1.699 178 Y CB -1.567 36.891 38.460 -0.003 0.000 1.531 178 Y HN 0.666 nan 8.280 nan 0.000 0.640 179 K N -0.147 120.329 120.400 0.128 0.000 2.138 179 K HA 0.529 4.850 4.320 0.001 0.000 0.251 179 K C 0.191 176.958 176.600 0.279 0.000 1.015 179 K CA -0.590 55.776 56.287 0.131 0.000 0.917 179 K CB 1.085 33.567 32.500 -0.029 0.000 1.021 179 K HN -0.090 nan 8.250 nan 0.000 0.485 180 V N 2.764 122.810 119.914 0.220 0.000 2.432 180 V HA 0.179 4.300 4.120 0.001 0.000 0.275 180 V C 0.363 176.503 176.094 0.077 0.000 1.043 180 V CA -0.553 61.826 62.300 0.133 0.000 0.925 180 V CB 0.957 32.843 31.823 0.105 0.000 0.985 180 V HN 0.626 nan 8.190 nan 0.000 0.466 181 R N 3.125 123.482 120.500 -0.238 0.000 2.594 181 R HA 0.213 4.554 4.340 0.001 0.000 0.272 181 R C 0.075 176.172 176.300 -0.338 0.000 1.074 181 R CA -0.596 55.072 56.100 -0.721 0.000 1.105 181 R CB 0.256 30.065 30.300 -0.818 0.000 1.008 181 R HN 0.668 nan 8.270 nan 0.000 0.472 182 H N 3.936 122.866 119.070 -0.233 0.000 3.034 182 H HA -0.061 4.495 4.556 0.001 0.000 0.324 182 H C 0.544 175.858 175.328 -0.024 0.000 1.015 182 H CA 0.697 56.740 56.048 -0.008 0.000 1.429 182 H CB 0.504 30.287 29.762 0.035 0.000 1.429 182 H HN 0.533 nan 8.280 nan 0.000 0.585 183 K N 1.313 121.832 120.400 0.199 0.000 3.274 183 K HA -0.160 4.160 4.320 0.001 0.000 0.300 183 K C 0.972 177.600 176.600 0.048 0.000 1.230 183 K CA 1.031 57.393 56.287 0.124 0.000 0.884 183 K CB -1.676 30.874 32.500 0.083 0.000 1.242 183 K HN 0.857 nan 8.250 nan 0.000 0.467 184 G N -0.278 108.534 108.800 0.021 0.000 3.651 184 G HA2 0.334 4.295 3.960 0.001 0.000 0.279 184 G HA3 0.334 4.295 3.960 0.001 0.000 0.279 184 G C 1.048 175.946 174.900 -0.005 0.000 1.024 184 G CA 0.371 45.455 45.100 -0.027 0.000 0.813 184 G HN 0.286 nan 8.290 nan 0.000 0.518 185 G N -0.306 108.529 108.800 0.058 0.000 2.880 185 G HA2 0.084 4.044 3.960 0.001 0.000 0.209 185 G HA3 0.084 4.044 3.960 0.001 0.000 0.209 185 G C 0.097 175.045 174.900 0.081 0.000 1.157 185 G CA -0.140 44.947 45.100 -0.022 0.000 0.779 185 G HN 0.387 nan 8.290 nan 0.000 0.539 186 Y N 1.796 122.091 120.300 -0.008 0.000 2.491 186 Y HA 0.503 5.053 4.550 0.001 0.000 0.334 186 Y C -1.161 174.562 175.900 -0.295 0.000 0.969 186 Y CA -1.871 56.160 58.100 -0.114 0.000 1.241 186 Y CB 0.392 38.716 38.460 -0.226 0.000 1.105 186 Y HN 0.068 nan 8.280 nan 0.000 0.503 187 F N 6.120 126.062 119.950 -0.013 0.000 2.971 187 F HA 0.469 4.997 4.527 0.001 0.000 0.373 187 F C -2.980 172.765 175.800 -0.092 0.000 1.288 187 F CA -3.688 54.231 58.000 -0.135 0.000 1.204 187 F CB -1.204 37.602 39.000 -0.323 0.000 1.852 187 F HN 0.193 nan 8.300 nan 0.000 0.624 188 P HA 0.214 nan 4.420 nan 0.000 0.269 188 P C 0.284 177.613 177.300 0.048 0.000 1.215 188 P CA -0.108 63.044 63.100 0.087 0.000 0.780 188 P CB 1.663 33.395 31.700 0.053 0.000 0.898 189 V N -0.859 119.075 119.914 0.032 0.000 3.237 189 V HA 0.403 4.524 4.120 0.001 0.000 0.305 189 V C 0.616 176.709 176.094 -0.002 0.000 1.096 189 V CA -0.767 61.534 62.300 0.002 0.000 1.130 189 V CB -0.833 30.985 31.823 -0.009 0.000 1.048 189 V HN 0.783 nan 8.190 nan 0.000 0.484 190 A N 2.931 125.736 122.820 -0.026 0.000 2.520 190 A HA 0.472 4.793 4.320 0.001 0.000 0.235 190 A C -0.808 176.706 177.584 -0.117 0.000 1.065 190 A CA -0.332 51.668 52.037 -0.062 0.000 0.764 190 A CB -0.633 18.327 19.000 -0.067 0.000 1.002 190 A HN 0.950 nan 8.150 nan 0.000 0.502 191 P HA 0.019 nan 4.420 nan 0.000 0.249 191 P C 0.950 178.190 177.300 -0.100 0.000 1.229 191 P CA 0.059 62.998 63.100 -0.269 0.000 0.788 191 P CB 0.134 31.501 31.700 -0.555 0.000 1.072 192 N N 0.593 119.321 118.700 0.047 0.000 2.061 192 N HA -0.137 4.604 4.740 0.001 0.000 0.193 192 N C 0.423 175.963 175.510 0.050 0.000 1.030 192 N CA 1.297 54.429 53.050 0.137 0.000 0.856 192 N CB -0.561 38.004 38.487 0.131 0.000 1.023 192 N HN 0.155 nan 8.380 nan 0.000 0.424 193 D N 1.320 121.735 120.400 0.025 0.000 2.352 193 D HA 0.053 4.694 4.640 0.001 0.000 0.245 193 D C 0.301 176.636 176.300 0.058 0.000 1.224 193 D CA 0.189 54.243 54.000 0.091 0.000 0.879 193 D CB 0.438 41.295 40.800 0.094 0.000 1.057 193 D HN 0.183 nan 8.370 nan 0.000 0.491 194 Q N 2.772 122.578 119.800 0.010 0.000 2.319 194 Q HA 0.005 4.345 4.340 0.001 0.000 0.202 194 Q C -0.039 175.667 176.000 -0.491 0.000 0.896 194 Q CA 0.224 55.839 55.803 -0.314 0.000 0.942 194 Q CB 0.522 28.964 28.738 -0.493 0.000 1.083 194 Q HN 0.627 nan 8.270 nan 0.000 0.510 195 Y N -1.686 118.668 120.300 0.090 0.000 2.682 195 Y HA 0.114 4.665 4.550 0.001 0.000 0.251 195 Y C 1.592 177.515 175.900 0.039 0.000 1.172 195 Y CA -0.326 57.809 58.100 0.057 0.000 1.186 195 Y CB 0.522 39.004 38.460 0.038 0.000 1.216 195 Y HN -0.135 nan 8.280 nan 0.000 0.540 196 V N 0.012 119.998 119.914 0.121 0.000 2.255 196 V HA -0.303 3.818 4.120 0.001 0.000 0.247 196 V C 1.738 177.866 176.094 0.057 0.000 1.051 196 V CA 2.364 64.709 62.300 0.075 0.000 1.018 196 V CB -0.197 31.644 31.823 0.030 0.000 0.641 196 V HN 0.346 nan 8.190 nan 0.000 0.445 197 D N -0.375 120.048 120.400 0.038 0.000 2.117 197 D HA -0.117 4.524 4.640 0.001 0.000 0.198 197 D C 1.915 178.245 176.300 0.050 0.000 0.982 197 D CA 0.970 54.988 54.000 0.030 0.000 0.828 197 D CB -0.308 40.498 40.800 0.010 0.000 0.967 197 D HN 0.319 nan 8.370 nan 0.000 0.464 198 L N 1.046 122.316 121.223 0.078 0.000 2.046 198 L HA -0.082 4.259 4.340 0.001 0.000 0.208 198 L C 2.030 178.954 176.870 0.091 0.000 1.077 198 L CA 1.656 56.553 54.840 0.095 0.000 0.747 198 L CB -0.257 41.892 42.059 0.149 0.000 0.896 198 L HN -0.124 nan 8.230 nan 0.000 0.432 199 R N -0.610 119.952 120.500 0.103 0.000 2.148 199 R HA -0.116 4.225 4.340 0.001 0.000 0.227 199 R C 1.760 178.098 176.300 0.063 0.000 1.103 199 R CA 1.120 57.273 56.100 0.088 0.000 0.983 199 R CB -0.344 30.003 30.300 0.078 0.000 0.874 199 R HN 0.430 nan 8.270 nan 0.000 0.451 200 D N 0.693 121.124 120.400 0.051 0.000 2.144 200 D HA -0.109 4.532 4.640 0.001 0.000 0.200 200 D C 1.622 177.941 176.300 0.032 0.000 0.978 200 D CA 1.229 55.251 54.000 0.036 0.000 0.833 200 D CB 0.076 40.892 40.800 0.026 0.000 0.961 200 D HN 0.142 nan 8.370 nan 0.000 0.470 201 K N -0.156 120.265 120.400 0.036 0.000 2.057 201 K HA -0.034 4.287 4.320 0.001 0.000 0.207 201 K C 2.241 178.857 176.600 0.027 0.000 1.049 201 K CA 0.814 57.120 56.287 0.032 0.000 0.931 201 K CB -0.057 32.468 32.500 0.042 0.000 0.714 201 K HN 0.138 nan 8.250 nan 0.000 0.440 202 M N 0.608 120.225 119.600 0.029 0.000 2.086 202 M HA -0.187 4.294 4.480 0.001 0.000 0.261 202 M C 2.129 178.426 176.300 -0.006 0.000 1.067 202 M CA 1.596 56.898 55.300 0.003 0.000 1.116 202 M CB -0.353 32.252 32.600 0.009 0.000 1.348 202 M HN 0.106 nan 8.290 nan 0.000 0.407 203 L N -0.693 120.544 121.223 0.024 0.000 2.046 203 L HA -0.212 4.129 4.340 0.001 0.000 0.208 203 L C 2.499 179.380 176.870 0.018 0.000 1.077 203 L CA 1.350 56.208 54.840 0.031 0.000 0.747 203 L CB -0.885 41.201 42.059 0.045 0.000 0.896 203 L HN 0.332 nan 8.230 nan 0.000 0.432 204 T N -0.884 113.677 114.554 0.012 0.000 2.777 204 T HA -0.109 4.242 4.350 0.001 0.000 0.266 204 T C 1.704 176.398 174.700 -0.011 0.000 1.040 204 T CA 1.193 63.296 62.100 0.005 0.000 1.141 204 T CB -0.226 68.644 68.868 0.004 0.000 0.868 204 T HN 0.261 nan 8.240 nan 0.000 0.444 205 N N 1.292 119.973 118.700 -0.031 0.000 2.149 205 N HA 0.016 4.757 4.740 0.001 0.000 0.188 205 N C 1.803 177.284 175.510 -0.048 0.000 1.019 205 N CA 0.800 53.806 53.050 -0.073 0.000 0.857 205 N CB -0.482 37.950 38.487 -0.093 0.000 0.997 205 N HN 0.354 nan 8.380 nan 0.000 0.426 206 L N 0.315 121.506 121.223 -0.054 0.000 2.044 206 L HA -0.034 4.307 4.340 0.001 0.000 0.205 206 L C 2.119 179.072 176.870 0.138 0.000 1.075 206 L CA 0.700 55.498 54.840 -0.071 0.000 0.747 206 L CB -0.319 41.578 42.059 -0.270 0.000 0.903 206 L HN 0.075 nan 8.230 nan 0.000 0.435 207 I N 0.253 120.874 120.570 0.085 0.000 2.163 207 I HA -0.312 3.859 4.170 0.001 0.000 0.243 207 I C 1.860 178.021 176.117 0.074 0.000 1.085 207 I CA 1.232 62.588 61.300 0.094 0.000 1.347 207 I CB -0.394 37.639 38.000 0.056 0.000 1.044 207 I HN 0.350 nan 8.210 nan 0.000 0.408 208 N N 0.202 118.925 118.700 0.038 0.000 2.550 208 N HA -0.064 4.677 4.740 0.001 0.000 0.186 208 N C 1.243 176.765 175.510 0.020 0.000 1.110 208 N CA 0.698 53.755 53.050 0.011 0.000 0.912 208 N CB -0.032 38.441 38.487 -0.024 0.000 0.968 208 N HN 0.188 nan 8.380 nan 0.000 0.448 209 S N -0.970 114.780 115.700 0.083 0.000 2.575 209 S HA 0.319 4.790 4.470 0.001 0.000 0.237 209 S C 1.253 175.888 174.600 0.060 0.000 0.975 209 S CA 0.160 58.421 58.200 0.103 0.000 0.960 209 S CB 0.530 63.862 63.200 0.220 0.000 0.822 209 S HN 0.502 nan 8.310 nan 0.000 0.472 210 G N 1.250 110.077 108.800 0.045 0.000 2.159 210 G HA2 -0.260 3.701 3.960 0.001 0.000 0.256 210 G HA3 -0.260 3.701 3.960 0.001 0.000 0.256 210 G C -0.023 174.826 174.900 -0.086 0.000 0.977 210 G CA -0.437 44.635 45.100 -0.047 0.000 0.652 210 G HN 0.451 nan 8.290 nan 0.000 0.531 211 F N 0.440 120.362 119.950 -0.047 0.000 2.471 211 F HA 0.532 5.059 4.527 0.001 0.000 0.353 211 F C 1.313 177.116 175.800 0.004 0.000 1.113 211 F CA -0.261 57.717 58.000 -0.037 0.000 1.262 211 F CB 0.665 39.636 39.000 -0.049 0.000 1.146 211 F HN -0.024 nan 8.300 nan 0.000 0.578 212 I N 5.036 125.719 120.570 0.189 0.000 2.297 212 I HA 0.125 4.296 4.170 0.001 0.000 0.291 212 I C -0.558 175.671 176.117 0.186 0.000 1.033 212 I CA -0.370 61.005 61.300 0.124 0.000 1.253 212 I CB 0.442 38.458 38.000 0.027 0.000 1.396 212 I HN 0.214 nan 8.210 nan 0.000 0.476 213 L N 6.869 128.186 121.223 0.156 0.000 2.357 213 L HA 0.346 4.686 4.340 0.001 0.000 0.273 213 L C 0.964 177.901 176.870 0.111 0.000 1.080 213 L CA 0.373 55.311 54.840 0.163 0.000 0.803 213 L CB 1.433 43.571 42.059 0.133 0.000 1.174 213 L HN 0.701 nan 8.230 nan 0.000 0.443 214 E N 1.389 121.656 120.200 0.111 0.000 2.378 214 E HA 0.105 4.455 4.350 0.001 0.000 0.200 214 E C -0.402 176.244 176.600 0.077 0.000 0.882 214 E CA 0.119 56.565 56.400 0.077 0.000 1.061 214 E CB 1.091 30.829 29.700 0.063 0.000 1.049 214 E HN 0.588 nan 8.360 nan 0.000 0.494 215 K N -0.642 119.815 120.400 0.096 0.000 2.578 215 K HA 0.658 4.979 4.320 0.001 0.000 0.287 215 K C -0.956 175.711 176.600 0.112 0.000 1.010 215 K CA -1.093 55.256 56.287 0.103 0.000 0.889 215 K CB 1.889 34.463 32.500 0.124 0.000 1.514 215 K HN 0.064 nan 8.250 nan 0.000 0.424 216 G N 0.761 109.620 108.800 0.097 0.000 2.682 216 G HA2 0.699 4.660 3.960 0.001 0.000 0.300 216 G HA3 0.699 4.660 3.960 0.001 0.000 0.300 216 G C -1.837 173.099 174.900 0.060 0.000 1.391 216 G CA -0.579 44.545 45.100 0.040 0.000 0.990 216 G HN 1.016 nan 8.290 nan 0.000 0.501 217 H N -1.034 118.022 119.070 -0.023 0.000 3.003 217 H HA 0.526 5.083 4.556 0.001 0.000 0.327 217 H C -1.236 174.087 175.328 -0.008 0.000 1.353 217 H CA -1.045 54.977 56.048 -0.043 0.000 1.142 217 H CB 0.967 30.674 29.762 -0.092 0.000 1.864 217 H HN 0.516 nan 8.280 nan 0.000 0.529 218 H N 1.289 120.421 119.070 0.103 0.000 2.732 218 H HA 0.193 4.750 4.556 0.001 0.000 0.351 218 H C -0.251 175.197 175.328 0.200 0.000 1.090 218 H CA 0.405 56.489 56.048 0.059 0.000 1.431 218 H CB 0.953 30.786 29.762 0.118 0.000 1.447 218 H HN 0.682 nan 8.280 nan 0.000 0.582 219 E N 2.507 122.827 120.200 0.201 0.000 2.446 219 E HA 0.091 4.442 4.350 0.001 0.000 0.251 219 E C 1.473 178.295 176.600 0.369 0.000 1.087 219 E CA -0.754 55.827 56.400 0.301 0.000 0.937 219 E CB 1.614 31.305 29.700 -0.015 0.000 1.254 219 E HN 0.409 nan 8.360 nan 0.000 0.479 220 V N 0.419 120.500 119.914 0.278 0.000 2.392 220 V HA -0.153 3.968 4.120 0.001 0.000 0.249 220 V C 1.299 177.529 176.094 0.227 0.000 1.059 220 V CA 1.858 64.289 62.300 0.217 0.000 1.051 220 V CB -0.714 31.179 31.823 0.117 0.000 0.658 220 V HN 0.636 nan 8.190 nan 0.000 0.455 221 G N 0.041 108.971 108.800 0.216 0.000 2.398 221 G HA2 0.273 4.234 3.960 0.001 0.000 0.246 221 G HA3 0.273 4.234 3.960 0.001 0.000 0.246 221 G C 0.152 175.313 174.900 0.436 0.000 1.289 221 G CA 0.335 45.653 45.100 0.364 0.000 0.869 221 G HN 0.321 nan 8.290 nan 0.000 0.543 222 S N 0.664 116.627 115.700 0.439 0.000 2.584 222 S HA 0.438 4.908 4.470 0.001 0.000 0.270 222 S C 1.521 176.418 174.600 0.495 0.000 1.346 222 S CA 1.020 59.424 58.200 0.339 0.000 1.018 222 S CB 0.261 63.510 63.200 0.082 0.000 0.899 222 S HN 2.268 nan 8.310 nan 0.000 0.542 223 G N 1.357 110.359 108.800 0.336 0.000 2.198 223 G HA2 0.096 4.057 3.960 0.001 0.000 0.257 223 G HA3 0.096 4.057 3.960 0.001 0.000 0.257 223 G C 1.039 176.231 174.900 0.485 0.000 1.042 223 G CA 0.488 45.862 45.100 0.456 0.000 0.791 223 G HN 2.158 nan 8.290 nan 0.000 0.502 224 G N -1.479 107.458 108.800 0.227 0.000 2.165 224 G HA2 -0.164 3.797 3.960 0.001 0.000 0.226 224 G HA3 -0.164 3.797 3.960 0.001 0.000 0.226 224 G C 0.212 174.680 174.900 -0.720 0.000 1.035 224 G CA 1.000 45.799 45.100 -0.500 0.000 0.744 224 G HN 1.328 nan 8.290 nan 0.000 0.501 225 Q N -0.233 119.180 119.800 -0.644 0.000 2.392 225 Q HA 0.579 4.920 4.340 0.001 0.000 0.262 225 Q C 0.395 175.779 176.000 -1.027 0.000 1.003 225 Q CA 0.771 55.929 55.803 -1.075 0.000 0.888 225 Q CB 0.707 28.827 28.738 -1.031 0.000 1.260 225 Q HN 1.252 nan 8.270 nan 0.000 0.435 226 A N 3.300 125.448 122.820 -1.120 0.000 2.593 226 A HA 0.675 4.996 4.320 0.001 0.000 0.290 226 A C -1.604 175.321 177.584 -1.097 0.000 1.126 226 A CA -0.604 50.776 52.037 -1.094 0.000 0.695 226 A CB 2.114 20.377 19.000 -1.229 0.000 1.290 226 A HN 0.771 nan 8.150 nan 0.000 0.414 227 E N 0.214 119.946 120.200 -0.781 0.000 2.335 227 E HA 0.619 4.970 4.350 0.001 0.000 0.280 227 E C -2.073 174.380 176.600 -0.246 0.000 0.918 227 E CA -0.413 55.705 56.400 -0.469 0.000 0.765 227 E CB 1.616 31.043 29.700 -0.454 0.000 1.218 227 E HN 0.579 nan 8.360 nan 0.000 0.425 228 I N 3.196 123.853 120.570 0.145 0.000 2.545 228 I HA 0.368 4.539 4.170 0.001 0.000 0.292 228 I C -0.699 175.527 176.117 0.182 0.000 1.040 228 I CA -0.728 60.705 61.300 0.222 0.000 1.068 228 I CB 2.139 40.378 38.000 0.399 0.000 1.251 228 I HN 0.452 nan 8.210 nan 0.000 0.424 229 N N 5.365 124.132 118.700 0.112 0.000 2.372 229 N HA 0.550 5.291 4.740 0.001 0.000 0.291 229 N C -1.570 173.992 175.510 0.087 0.000 1.024 229 N CA -0.697 52.352 53.050 -0.003 0.000 0.873 229 N CB 1.727 40.220 38.487 0.009 0.000 1.206 229 N HN 0.426 nan 8.380 nan 0.000 0.486 230 Y N -0.880 119.451 120.300 0.053 0.000 2.598 230 Y HA 0.380 4.930 4.550 0.001 0.000 0.340 230 Y C 0.091 176.044 175.900 0.087 0.000 1.038 230 Y CA -1.405 56.761 58.100 0.111 0.000 1.100 230 Y CB 0.597 39.205 38.460 0.246 0.000 1.281 230 Y HN 0.375 nan 8.280 nan 0.000 0.488 231 Q N 2.203 122.117 119.800 0.190 0.000 2.315 231 Q HA 0.144 4.485 4.340 0.001 0.000 0.289 231 Q C -0.452 175.541 176.000 -0.012 0.000 1.044 231 Q CA -0.341 55.451 55.803 -0.019 0.000 0.920 231 Q CB 0.270 28.910 28.738 -0.163 0.000 1.214 231 Q HN 0.639 nan 8.270 nan 0.000 0.392 232 F N 2.130 122.084 119.950 0.007 0.000 2.587 232 F HA 0.325 4.853 4.527 0.001 0.000 0.327 232 F C 0.121 176.008 175.800 0.145 0.000 1.232 232 F CA -0.500 57.533 58.000 0.054 0.000 1.353 232 F CB 0.345 39.339 39.000 -0.010 0.000 1.156 232 F HN 0.504 nan 8.300 nan 0.000 0.599 233 N N -1.326 117.641 118.700 0.444 0.000 3.106 233 N HA 0.254 4.995 4.740 0.001 0.000 0.253 233 N C -1.613 174.236 175.510 0.564 0.000 1.506 233 N CA -0.177 53.135 53.050 0.437 0.000 0.876 233 N CB 1.992 40.654 38.487 0.292 0.000 1.452 233 N HN 0.872 nan 8.380 nan 0.000 0.542 234 S N 0.152 116.083 115.700 0.386 0.000 2.579 234 S HA 0.157 4.628 4.470 0.001 0.000 0.275 234 S C 1.882 176.587 174.600 0.175 0.000 1.345 234 S CA -0.477 57.796 58.200 0.122 0.000 1.031 234 S CB 0.622 63.779 63.200 -0.070 0.000 0.892 234 S HN 0.605 nan 8.310 nan 0.000 0.529 235 L N 1.072 122.394 121.223 0.164 0.000 1.987 235 L HA -0.230 4.111 4.340 0.001 0.000 0.230 235 L C 2.495 179.432 176.870 0.111 0.000 1.089 235 L CA 2.264 57.164 54.840 0.101 0.000 0.802 235 L CB -0.553 41.527 42.059 0.036 0.000 0.905 235 L HN 0.823 nan 8.230 nan 0.000 0.441 236 L N -0.750 120.498 121.223 0.042 0.000 2.012 236 L HA -0.280 4.060 4.340 0.001 0.000 0.210 236 L C 2.579 179.538 176.870 0.149 0.000 1.073 236 L CA 1.931 56.821 54.840 0.084 0.000 0.748 236 L CB -1.008 41.072 42.059 0.035 0.000 0.891 236 L HN 0.373 nan 8.230 nan 0.000 0.431 237 H N -0.084 119.067 119.070 0.136 0.000 2.352 237 H HA -0.064 4.493 4.556 0.001 0.000 0.299 237 H C 2.200 177.606 175.328 0.130 0.000 1.097 237 H CA 1.401 57.512 56.048 0.104 0.000 1.311 237 H CB -0.838 28.975 29.762 0.085 0.000 1.377 237 H HN 0.536 nan 8.280 nan 0.000 0.504 238 A N 0.913 123.935 122.820 0.337 0.000 1.930 238 A HA -0.038 4.283 4.320 0.001 0.000 0.217 238 A C 2.677 180.491 177.584 0.384 0.000 1.175 238 A CA 1.700 53.982 52.037 0.409 0.000 0.627 238 A CB -0.750 18.530 19.000 0.467 0.000 0.815 238 A HN 0.444 nan 8.150 nan 0.000 0.443 239 A N -0.293 122.629 122.820 0.170 0.000 1.930 239 A HA -0.132 4.189 4.320 0.001 0.000 0.217 239 A C 1.809 179.146 177.584 -0.412 0.000 1.175 239 A CA 1.674 53.470 52.037 -0.400 0.000 0.627 239 A CB -0.450 18.069 19.000 -0.802 0.000 0.815 239 A HN 0.445 nan 8.150 nan 0.000 0.443 240 D N 0.247 120.607 120.400 -0.067 0.000 2.117 240 D HA -0.124 4.517 4.640 0.001 0.000 0.198 240 D C 1.252 177.568 176.300 0.027 0.000 0.982 240 D CA 1.320 55.353 54.000 0.054 0.000 0.828 240 D CB -0.325 40.556 40.800 0.135 0.000 0.967 240 D HN 0.336 nan 8.370 nan 0.000 0.464 241 D N 0.166 120.597 120.400 0.051 0.000 2.123 241 D HA -0.157 4.483 4.640 0.001 0.000 0.196 241 D C 1.969 178.394 176.300 0.208 0.000 0.992 241 D CA 0.648 54.683 54.000 0.057 0.000 0.833 241 D CB -0.258 40.603 40.800 0.102 0.000 0.954 241 D HN 0.124 nan 8.370 nan 0.000 0.455 242 M N 0.848 120.567 119.600 0.198 0.000 2.065 242 M HA -0.178 4.303 4.480 0.001 0.000 0.259 242 M C 1.807 178.175 176.300 0.113 0.000 1.069 242 M CA 1.565 56.981 55.300 0.193 0.000 1.110 242 M CB -0.522 32.114 32.600 0.060 0.000 1.328 242 M HN -0.165 nan 8.290 nan 0.000 0.405 243 Q N -0.218 119.575 119.800 -0.011 0.000 2.061 243 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 243 Q C 2.229 178.265 176.000 0.060 0.000 0.984 243 Q CA 1.786 57.580 55.803 -0.015 0.000 0.846 243 Q CB -1.178 27.553 28.738 -0.011 0.000 0.902 243 Q HN 0.557 nan 8.270 nan 0.000 0.421 244 L N -0.083 121.220 121.223 0.133 0.000 2.056 244 L HA -0.158 4.183 4.340 0.001 0.000 0.207 244 L C 2.306 179.334 176.870 0.263 0.000 1.078 244 L CA 1.602 56.572 54.840 0.217 0.000 0.749 244 L CB -0.908 41.300 42.059 0.248 0.000 0.901 244 L HN 0.210 nan 8.230 nan 0.000 0.433 245 Y N 0.579 120.934 120.300 0.093 0.000 2.128 245 Y HA -0.314 4.237 4.550 0.001 0.000 0.284 245 Y C 2.399 178.231 175.900 -0.114 0.000 1.154 245 Y CA 2.319 60.317 58.100 -0.170 0.000 1.149 245 Y CB -0.223 38.120 38.460 -0.195 0.000 0.976 245 Y HN 0.165 nan 8.280 nan 0.000 0.505 246 K N -0.941 119.386 120.400 -0.121 0.000 2.063 246 K HA -0.259 4.062 4.320 0.001 0.000 0.208 246 K C 2.011 178.488 176.600 -0.205 0.000 1.048 246 K CA 1.833 57.895 56.287 -0.375 0.000 0.928 246 K CB -0.660 31.539 32.500 -0.502 0.000 0.713 246 K HN 0.480 nan 8.250 nan 0.000 0.442 247 Y N 1.648 121.835 120.300 -0.188 0.000 2.145 247 Y HA -0.190 4.360 4.550 0.001 0.000 0.286 247 Y C 1.842 177.673 175.900 -0.115 0.000 1.145 247 Y CA 1.373 59.386 58.100 -0.146 0.000 1.148 247 Y CB -0.145 38.265 38.460 -0.083 0.000 0.981 247 Y HN -0.061 nan 8.280 nan 0.000 0.507 248 I N -0.500 120.027 120.570 -0.071 0.000 2.315 248 I HA -0.293 3.878 4.170 0.001 0.000 0.248 248 I C 2.021 178.024 176.117 -0.190 0.000 1.117 248 I CA 0.663 61.961 61.300 -0.003 0.000 1.404 248 I CB -0.346 37.663 38.000 0.014 0.000 1.071 248 I HN 0.253 nan 8.210 nan 0.000 0.419 249 I N 1.128 121.457 120.570 -0.401 0.000 2.142 249 I HA -0.271 3.900 4.170 0.001 0.000 0.240 249 I C 2.438 178.322 176.117 -0.388 0.000 1.078 249 I CA 1.720 62.711 61.300 -0.515 0.000 1.343 249 I CB -1.227 36.241 38.000 -0.887 0.000 1.046 249 I HN 0.215 nan 8.210 nan 0.000 0.405 250 K N 0.483 120.693 120.400 -0.317 0.000 2.103 250 K HA -0.153 4.168 4.320 0.001 0.000 0.207 250 K C 1.784 178.208 176.600 -0.293 0.000 1.048 250 K CA 1.320 57.467 56.287 -0.233 0.000 0.930 250 K CB -0.091 32.300 32.500 -0.181 0.000 0.716 250 K HN 0.395 nan 8.250 nan 0.000 0.444 251 N N -0.346 118.001 118.700 -0.587 0.000 2.395 251 N HA -0.028 4.712 4.740 0.001 0.000 0.175 251 N C 1.505 176.623 175.510 -0.654 0.000 1.029 251 N CA 0.863 53.390 53.050 -0.871 0.000 0.897 251 N CB 0.224 37.599 38.487 -1.853 0.000 0.991 251 N HN 0.116 nan 8.380 nan 0.000 0.441 252 T N 1.478 115.839 114.554 -0.321 0.000 2.708 252 T HA -0.077 4.274 4.350 0.001 0.000 0.266 252 T C 2.105 176.798 174.700 -0.011 0.000 1.037 252 T CA 1.351 63.469 62.100 0.029 0.000 1.146 252 T CB -0.223 68.698 68.868 0.088 0.000 0.865 252 T HN 0.275 nan 8.240 nan 0.000 0.435 253 A N 1.375 124.166 122.820 -0.050 0.000 1.883 253 A HA -0.149 4.171 4.320 0.001 0.000 0.217 253 A C 2.178 179.782 177.584 0.033 0.000 1.186 253 A CA 1.454 53.492 52.037 0.001 0.000 0.624 253 A CB -1.155 17.838 19.000 -0.011 0.000 0.822 253 A HN 0.717 nan 8.150 nan 0.000 0.444 254 W N 0.651 121.855 121.300 -0.159 0.000 2.335 254 W HA -0.197 4.463 4.660 0.001 0.000 0.311 254 W C 2.132 178.592 176.519 -0.099 0.000 1.213 254 W CA 2.057 59.322 57.345 -0.135 0.000 1.274 254 W CB -0.403 28.934 29.460 -0.204 0.000 1.148 254 W HN 0.507 nan 8.180 nan 0.000 0.498 255 Q N -0.598 119.254 119.800 0.086 0.000 2.364 255 Q HA -0.143 4.197 4.340 0.001 0.000 0.209 255 Q C 0.851 176.851 176.000 -0.001 0.000 0.977 255 Q CA 0.866 56.700 55.803 0.052 0.000 0.885 255 Q CB -0.248 28.550 28.738 0.099 0.000 0.941 255 Q HN 0.301 nan 8.270 nan 0.000 0.464 256 N N -1.004 117.685 118.700 -0.019 0.000 2.275 256 N HA 0.105 4.846 4.740 0.001 0.000 0.236 256 N C 0.328 175.806 175.510 -0.052 0.000 1.154 256 N CA 0.653 53.693 53.050 -0.017 0.000 0.866 256 N CB 1.625 40.124 38.487 0.020 0.000 1.093 256 N HN 0.294 nan 8.380 nan 0.000 0.515 257 G N 0.791 109.509 108.800 -0.136 0.000 2.159 257 G HA2 -0.243 3.718 3.960 0.001 0.000 0.256 257 G HA3 -0.243 3.718 3.960 0.001 0.000 0.256 257 G C 0.252 175.060 174.900 -0.152 0.000 0.977 257 G CA 0.285 45.282 45.100 -0.173 0.000 0.652 257 G HN 0.165 nan 8.290 nan 0.000 0.531 258 K N -0.471 119.861 120.400 -0.113 0.000 2.303 258 K HA 0.841 5.161 4.320 0.001 0.000 0.233 258 K C -0.406 176.182 176.600 -0.020 0.000 1.046 258 K CA -0.165 56.112 56.287 -0.017 0.000 0.895 258 K CB 1.490 34.034 32.500 0.072 0.000 1.220 258 K HN 0.240 nan 8.250 nan 0.000 0.470 259 T N -0.170 114.444 114.554 0.101 0.000 2.991 259 T HA 0.419 4.770 4.350 0.001 0.000 0.303 259 T C -1.469 173.337 174.700 0.177 0.000 1.015 259 T CA -0.554 61.666 62.100 0.201 0.000 1.007 259 T CB 0.890 69.905 68.868 0.246 0.000 1.034 259 T HN 0.119 nan 8.240 nan 0.000 0.446 260 V N 4.184 124.171 119.914 0.122 0.000 2.547 260 V HA 0.760 4.881 4.120 0.001 0.000 0.299 260 V C 0.472 176.588 176.094 0.037 0.000 1.040 260 V CA -0.532 61.764 62.300 -0.008 0.000 0.913 260 V CB 1.936 33.665 31.823 -0.157 0.000 0.992 260 V HN 0.986 nan 8.190 nan 0.000 0.449 261 T N 3.550 118.085 114.554 -0.030 0.000 2.861 261 T HA 0.549 4.899 4.350 0.001 0.000 0.287 261 T C -0.198 174.475 174.700 -0.044 0.000 1.003 261 T CA -0.249 61.890 62.100 0.066 0.000 0.977 261 T CB 0.737 69.709 68.868 0.174 0.000 0.996 261 T HN 0.383 nan 8.240 nan 0.000 0.448 262 F N 3.635 123.646 119.950 0.102 0.000 2.641 262 F HA 0.341 4.869 4.527 0.001 0.000 0.302 262 F C 1.289 177.156 175.800 0.113 0.000 1.098 262 F CA -0.687 57.389 58.000 0.126 0.000 1.318 262 F CB 0.140 39.201 39.000 0.101 0.000 1.035 262 F HN 0.512 nan 8.300 nan 0.000 0.551 263 M N -0.037 119.694 119.600 0.219 0.000 2.249 263 M HA 0.206 4.687 4.480 0.001 0.000 0.340 263 M C -1.988 174.394 176.300 0.137 0.000 1.166 263 M CA -1.296 54.091 55.300 0.145 0.000 1.115 263 M CB 0.326 32.971 32.600 0.075 0.000 1.606 263 M HN -0.222 nan 8.290 nan 0.000 0.448 264 P HA -0.105 nan 4.420 nan 0.000 0.215 264 P C -0.209 177.135 177.300 0.073 0.000 1.153 264 P CA 1.709 64.855 63.100 0.077 0.000 0.853 264 P CB 0.129 31.844 31.700 0.025 0.000 0.788 265 K N -1.361 119.064 120.400 0.042 0.000 2.895 265 K HA 0.217 4.537 4.320 0.001 0.000 0.191 265 K C -2.279 174.313 176.600 -0.013 0.000 1.117 265 K CA -1.560 54.740 56.287 0.021 0.000 0.988 265 K CB 0.473 32.968 32.500 -0.008 0.000 1.181 265 K HN -0.106 nan 8.250 nan 0.000 0.598 266 P HA 0.007 nan 4.420 nan 0.000 0.227 266 P C -0.325 176.947 177.300 -0.047 0.000 1.161 266 P CA 0.381 63.460 63.100 -0.035 0.000 0.788 266 P CB 0.559 32.309 31.700 0.083 0.000 0.822 267 L N -0.183 121.012 121.223 -0.046 0.000 2.322 267 L HA 0.431 4.771 4.340 0.001 0.000 0.281 267 L C -0.179 176.722 176.870 0.051 0.000 1.014 267 L CA -1.333 53.507 54.840 0.001 0.000 0.815 267 L CB 1.476 43.552 42.059 0.028 0.000 1.247 267 L HN -0.175 nan 8.230 nan 0.000 0.421 268 F N 2.429 122.332 119.950 -0.079 0.000 2.420 268 F HA 0.559 5.086 4.527 0.001 0.000 0.352 268 F C 1.027 176.747 175.800 -0.132 0.000 1.108 268 F CA -0.109 57.828 58.000 -0.105 0.000 1.162 268 F CB 1.109 40.075 39.000 -0.057 0.000 1.118 268 F HN 0.694 nan 8.300 nan 0.000 0.510 269 G N 3.445 111.825 108.800 -0.701 0.000 2.136 269 G HA2 -0.210 3.751 3.960 0.001 0.000 0.242 269 G HA3 -0.210 3.751 3.960 0.001 0.000 0.242 269 G C -0.481 174.275 174.900 -0.240 0.000 0.989 269 G CA 0.225 44.977 45.100 -0.579 0.000 0.682 269 G HN 0.832 nan 8.290 nan 0.000 0.522 270 D N -0.932 119.328 120.400 -0.232 0.000 2.596 270 D HA 0.402 5.043 4.640 0.001 0.000 0.262 270 D C -0.098 176.142 176.300 -0.099 0.000 1.210 270 D CA -0.759 53.271 54.000 0.050 0.000 0.873 270 D CB 0.794 41.770 40.800 0.294 0.000 1.408 270 D HN -0.050 nan 8.370 nan 0.000 0.441 271 N N -0.436 118.371 118.700 0.179 0.000 2.407 271 N HA 0.328 5.068 4.740 0.001 0.000 0.250 271 N C 0.321 175.915 175.510 0.140 0.000 1.236 271 N CA 0.458 53.604 53.050 0.160 0.000 0.879 271 N CB 0.611 39.227 38.487 0.216 0.000 1.088 271 N HN 0.369 nan 8.380 nan 0.000 0.450 272 G N -0.136 108.705 108.800 0.069 0.000 2.588 272 G HA2 0.332 4.293 3.960 0.001 0.000 0.281 272 G HA3 0.332 4.293 3.960 0.001 0.000 0.281 272 G C -0.689 174.289 174.900 0.130 0.000 1.236 272 G CA -0.477 44.690 45.100 0.110 0.000 0.969 272 G HN 0.452 nan 8.290 nan 0.000 0.504 273 S N -0.667 115.110 115.700 0.127 0.000 2.438 273 S HA 0.628 5.098 4.470 0.001 0.000 0.316 273 S C 0.544 175.180 174.600 0.060 0.000 1.084 273 S CA -0.359 57.878 58.200 0.062 0.000 1.107 273 S CB 1.337 64.584 63.200 0.077 0.000 0.981 273 S HN 0.930 nan 8.310 nan 0.000 0.466 274 G N 1.467 110.264 108.800 -0.006 0.000 2.521 274 G HA2 0.647 4.608 3.960 0.001 0.000 0.323 274 G HA3 0.647 4.608 3.960 0.001 0.000 0.323 274 G C -0.719 174.147 174.900 -0.058 0.000 1.211 274 G CA -0.730 44.349 45.100 -0.034 0.000 0.979 274 G HN 0.624 nan 8.290 nan 0.000 0.490 275 M N 1.699 121.298 119.600 -0.002 0.000 2.126 275 M HA 0.274 4.754 4.480 0.001 0.000 0.217 275 M C -0.775 175.606 176.300 0.134 0.000 0.873 275 M CA -0.491 54.852 55.300 0.072 0.000 0.707 275 M CB -0.045 32.661 32.600 0.176 0.000 1.515 275 M HN 0.708 nan 8.290 nan 0.000 0.369 276 H N 0.849 119.996 119.070 0.128 0.000 2.964 276 H HA 0.091 4.648 4.556 0.001 0.000 0.328 276 H C -0.444 174.988 175.328 0.172 0.000 1.030 276 H CA -0.244 55.868 56.048 0.107 0.000 1.445 276 H CB 0.536 30.364 29.762 0.111 0.000 1.449 276 H HN 0.534 nan 8.280 nan 0.000 0.581 277 C N 5.073 124.541 119.300 0.280 0.000 2.294 277 C HA 0.154 4.615 4.460 0.001 0.000 0.319 277 C C 0.284 175.349 174.990 0.125 0.000 1.164 277 C CA -0.827 58.337 59.018 0.242 0.000 1.497 277 C CB -0.824 27.098 27.740 0.303 0.000 2.061 277 C HN 0.831 nan 8.230 nan 0.000 0.438 278 H N 2.527 121.606 119.070 0.015 0.000 2.803 278 H HA 0.250 4.807 4.556 0.001 0.000 0.330 278 H C -0.202 174.983 175.328 -0.238 0.000 1.057 278 H CA 0.540 56.543 56.048 -0.075 0.000 1.458 278 H CB 0.959 30.679 29.762 -0.069 0.000 1.470 278 H HN 0.650 nan 8.280 nan 0.000 0.560 279 Q N 1.523 121.188 119.800 -0.224 0.000 2.359 279 Q HA 0.410 4.751 4.340 0.001 0.000 0.274 279 Q C -1.100 174.680 176.000 -0.367 0.000 1.074 279 Q CA -0.877 54.640 55.803 -0.476 0.000 0.810 279 Q CB 2.823 31.177 28.738 -0.640 0.000 1.342 279 Q HN 0.763 nan 8.270 nan 0.000 0.427 280 S N 1.426 116.957 115.700 -0.283 0.000 2.537 280 S HA 0.691 5.162 4.470 0.001 0.000 0.270 280 S C -1.388 173.258 174.600 0.078 0.000 1.142 280 S CA -0.822 57.325 58.200 -0.090 0.000 0.870 280 S CB 0.966 64.240 63.200 0.124 0.000 1.112 280 S HN 0.506 nan 8.310 nan 0.000 0.466 281 L N 1.795 123.074 121.223 0.093 0.000 2.317 281 L HA 0.688 5.029 4.340 0.001 0.000 0.281 281 L C -1.216 175.844 176.870 0.317 0.000 1.024 281 L CA -0.504 54.452 54.840 0.193 0.000 0.810 281 L CB 1.229 43.340 42.059 0.087 0.000 1.240 281 L HN 0.720 nan 8.230 nan 0.000 0.427 282 W N 2.251 123.591 121.300 0.066 0.000 2.864 282 W HA 0.648 5.309 4.660 0.001 0.000 0.343 282 W C -0.387 176.168 176.519 0.060 0.000 1.109 282 W CA -0.729 56.676 57.345 0.101 0.000 1.192 282 W CB 1.749 31.351 29.460 0.237 0.000 1.426 282 W HN 0.205 nan 8.180 nan 0.000 0.529 283 K N 1.804 122.343 120.400 0.233 0.000 2.535 283 K HA 0.184 4.505 4.320 0.001 0.000 0.251 283 K C -0.773 175.912 176.600 0.140 0.000 0.942 283 K CA -0.378 55.999 56.287 0.150 0.000 0.798 283 K CB 1.276 33.821 32.500 0.075 0.000 1.267 283 K HN 0.593 nan 8.250 nan 0.000 0.434 284 D N 2.904 123.385 120.400 0.135 0.000 2.811 284 D HA -0.197 4.444 4.640 0.001 0.000 0.231 284 D C 0.545 176.941 176.300 0.159 0.000 1.157 284 D CA 1.808 55.879 54.000 0.117 0.000 0.716 284 D CB -1.123 39.722 40.800 0.074 0.000 1.077 284 D HN 1.111 nan 8.370 nan 0.000 0.428 285 G N -1.399 107.557 108.800 0.260 0.000 2.143 285 G HA2 -0.046 3.915 3.960 0.001 0.000 0.248 285 G HA3 -0.046 3.915 3.960 0.001 0.000 0.248 285 G C 0.279 175.427 174.900 0.413 0.000 0.991 285 G CA 0.689 46.005 45.100 0.360 0.000 0.689 285 G HN 1.235 nan 8.290 nan 0.000 0.522 286 A N 0.259 123.222 122.820 0.239 0.000 2.365 286 A HA 0.930 5.251 4.320 0.001 0.000 0.318 286 A C -2.372 174.866 177.584 -0.577 0.000 1.091 286 A CA -1.542 50.428 52.037 -0.111 0.000 0.763 286 A CB 2.264 21.216 19.000 -0.081 0.000 1.248 286 A HN 0.145 nan 8.150 nan 0.000 0.442 287 P HA 0.347 nan 4.420 nan 0.000 0.278 287 P C -0.158 176.770 177.300 -0.619 0.000 1.238 287 P CA -0.127 62.075 63.100 -1.496 0.000 0.794 287 P CB 1.036 31.943 31.700 -1.321 0.000 0.955 288 L N 1.102 122.055 121.223 -0.450 0.000 2.858 288 L HA 0.204 4.545 4.340 0.001 0.000 0.251 288 L C 1.820 178.608 176.870 -0.136 0.000 1.149 288 L CA 0.137 54.854 54.840 -0.205 0.000 0.955 288 L CB -0.167 41.821 42.059 -0.117 0.000 1.289 288 L HN 0.200 nan 8.230 nan 0.000 0.542 289 M N -0.726 118.788 119.600 -0.143 0.000 2.541 289 M HA 0.098 4.578 4.480 0.001 0.000 0.252 289 M C 0.226 176.509 176.300 -0.029 0.000 1.125 289 M CA 0.570 55.818 55.300 -0.086 0.000 1.091 289 M CB -0.530 32.019 32.600 -0.085 0.000 1.420 289 M HN 0.038 nan 8.290 nan 0.000 0.486 290 Y N 1.617 121.828 120.300 -0.148 0.000 2.330 290 Y HA 0.388 4.939 4.550 0.001 0.000 0.336 290 Y C -0.817 175.024 175.900 -0.097 0.000 1.036 290 Y CA -0.842 57.188 58.100 -0.117 0.000 1.125 290 Y CB 0.725 39.111 38.460 -0.123 0.000 1.194 290 Y HN -0.007 nan 8.280 nan 0.000 0.469 291 D N 5.274 125.254 120.400 -0.699 0.000 2.602 291 D HA 0.075 4.716 4.640 0.001 0.000 0.245 291 D C 0.437 176.272 176.300 -0.775 0.000 1.325 291 D CA -0.297 53.357 54.000 -0.576 0.000 0.952 291 D CB 1.469 42.103 40.800 -0.276 0.000 1.317 291 D HN 0.894 nan 8.370 nan 0.000 0.577 292 E N 1.522 121.290 120.200 -0.720 0.000 2.233 292 E HA -0.226 4.125 4.350 0.001 0.000 0.199 292 E C 1.220 177.684 176.600 -0.226 0.000 1.004 292 E CA 1.890 58.053 56.400 -0.395 0.000 0.819 292 E CB 0.395 30.046 29.700 -0.082 0.000 0.738 292 E HN 0.547 nan 8.360 nan 0.000 0.478 293 T N -3.202 111.237 114.554 -0.191 0.000 3.044 293 T HA 0.224 4.575 4.350 0.001 0.000 0.250 293 T C 0.827 175.471 174.700 -0.095 0.000 1.081 293 T CA 0.090 62.123 62.100 -0.111 0.000 1.040 293 T CB 0.597 69.419 68.868 -0.076 0.000 0.962 293 T HN 0.128 nan 8.240 nan 0.000 0.506 294 G N 0.420 109.141 108.800 -0.132 0.000 2.572 294 G HA2 0.418 4.379 3.960 0.001 0.000 0.261 294 G HA3 0.418 4.379 3.960 0.001 0.000 0.261 294 G C -0.788 174.099 174.900 -0.023 0.000 1.197 294 G CA -0.938 44.123 45.100 -0.065 0.000 0.870 294 G HN 0.458 nan 8.290 nan 0.000 0.548 295 Y N 1.215 121.488 120.300 -0.045 0.000 2.712 295 Y HA 0.230 4.781 4.550 0.001 0.000 0.333 295 Y C 1.170 177.063 175.900 -0.011 0.000 1.225 295 Y CA 0.735 58.821 58.100 -0.024 0.000 1.499 295 Y CB 0.471 38.930 38.460 -0.002 0.000 1.288 295 Y HN 1.352 nan 8.280 nan 0.000 0.575 296 A N 3.802 126.120 122.820 -0.838 0.000 2.790 296 A HA -0.182 4.139 4.320 0.001 0.000 0.277 296 A C 1.555 178.992 177.584 -0.244 0.000 1.435 296 A CA 1.542 53.231 52.037 -0.581 0.000 0.877 296 A CB -2.419 16.222 19.000 -0.598 0.000 1.007 296 A HN 2.622 nan 8.150 nan 0.000 0.613 297 G N -2.701 105.964 108.800 -0.225 0.000 2.221 297 G HA2 -0.179 3.782 3.960 0.001 0.000 0.265 297 G HA3 -0.179 3.782 3.960 0.001 0.000 0.265 297 G C -0.067 174.656 174.900 -0.295 0.000 1.041 297 G CA 0.537 45.469 45.100 -0.280 0.000 0.807 297 G HN 1.442 nan 8.290 nan 0.000 0.502 298 L N 1.267 122.387 121.223 -0.173 0.000 2.307 298 L HA 0.584 4.925 4.340 0.001 0.000 0.282 298 L C 1.335 178.113 176.870 -0.154 0.000 1.051 298 L CA -0.309 54.458 54.840 -0.122 0.000 0.804 298 L CB 1.621 43.666 42.059 -0.025 0.000 1.197 298 L HN 0.412 nan 8.230 nan 0.000 0.431 299 S N 0.454 116.061 115.700 -0.154 0.000 2.617 299 S HA 0.108 4.579 4.470 0.001 0.000 0.259 299 S C 0.607 175.110 174.600 -0.160 0.000 1.301 299 S CA -0.621 57.492 58.200 -0.146 0.000 0.984 299 S CB 0.962 64.093 63.200 -0.115 0.000 0.954 299 S HN 0.607 nan 8.310 nan 0.000 0.572 300 D N 1.092 121.389 120.400 -0.172 0.000 2.097 300 D HA -0.054 4.587 4.640 0.001 0.000 0.195 300 D C 2.059 178.169 176.300 -0.317 0.000 0.989 300 D CA 1.771 55.589 54.000 -0.303 0.000 0.827 300 D CB -1.079 39.610 40.800 -0.186 0.000 0.966 300 D HN 0.691 nan 8.370 nan 0.000 0.456 301 T N 0.946 115.442 114.554 -0.096 0.000 2.665 301 T HA -0.192 4.158 4.350 0.001 0.000 0.268 301 T C 1.987 176.694 174.700 0.012 0.000 1.035 301 T CA 1.849 63.958 62.100 0.015 0.000 1.151 301 T CB -0.344 68.537 68.868 0.021 0.000 0.862 301 T HN 0.219 nan 8.240 nan 0.000 0.438 302 A N 1.315 124.097 122.820 -0.063 0.000 1.877 302 A HA -0.097 4.224 4.320 0.001 0.000 0.216 302 A C 2.306 179.838 177.584 -0.086 0.000 1.186 302 A CA 1.792 53.782 52.037 -0.078 0.000 0.620 302 A CB -0.592 18.343 19.000 -0.108 0.000 0.822 302 A HN 0.413 nan 8.150 nan 0.000 0.443 303 R N -1.214 119.182 120.500 -0.173 0.000 2.096 303 R HA -0.159 4.182 4.340 0.001 0.000 0.235 303 R C 1.951 178.149 176.300 -0.170 0.000 1.127 303 R CA 1.779 57.734 56.100 -0.242 0.000 0.968 303 R CB -0.367 29.775 30.300 -0.264 0.000 0.861 303 R HN 0.804 nan 8.270 nan 0.000 0.440 304 H N -2.123 116.918 119.070 -0.048 0.000 2.428 304 H HA -0.131 4.426 4.556 0.001 0.000 0.296 304 H C 1.571 176.890 175.328 -0.016 0.000 1.062 304 H CA 1.253 57.276 56.048 -0.042 0.000 1.350 304 H CB 0.012 29.760 29.762 -0.023 0.000 1.403 304 H HN 0.272 nan 8.280 nan 0.000 0.533 305 Y N 1.191 121.497 120.300 0.011 0.000 2.181 305 Y HA -0.229 4.321 4.550 0.001 0.000 0.288 305 Y C 2.153 177.993 175.900 -0.101 0.000 1.146 305 Y CA 1.362 59.443 58.100 -0.031 0.000 1.164 305 Y CB -0.112 38.320 38.460 -0.046 0.000 0.982 305 Y HN 0.079 nan 8.280 nan 0.000 0.515 306 I N -0.375 120.240 120.570 0.076 0.000 2.226 306 I HA -0.282 3.888 4.170 0.001 0.000 0.245 306 I C 2.687 178.725 176.117 -0.132 0.000 1.100 306 I CA 1.348 62.586 61.300 -0.102 0.000 1.374 306 I CB -1.026 36.769 38.000 -0.342 0.000 1.057 306 I HN 0.363 nan 8.210 nan 0.000 0.413 307 G N 0.678 109.414 108.800 -0.106 0.000 2.476 307 G HA2 -0.243 3.718 3.960 0.001 0.000 0.218 307 G HA3 -0.243 3.718 3.960 0.001 0.000 0.218 307 G C 1.721 176.576 174.900 -0.076 0.000 1.164 307 G CA 0.975 46.032 45.100 -0.071 0.000 0.768 307 G HN 0.506 nan 8.290 nan 0.000 0.560 308 G N 0.716 109.463 108.800 -0.088 0.000 2.418 308 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 308 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 308 G C 1.831 176.678 174.900 -0.088 0.000 1.158 308 G CA 0.787 45.837 45.100 -0.084 0.000 0.771 308 G HN 0.429 nan 8.290 nan 0.000 0.545 309 L N -0.180 120.942 121.223 -0.167 0.000 2.017 309 L HA -0.009 4.331 4.340 0.001 0.000 0.208 309 L C 2.889 179.675 176.870 -0.139 0.000 1.073 309 L CA 0.762 55.454 54.840 -0.248 0.000 0.745 309 L CB -0.359 41.412 42.059 -0.479 0.000 0.894 309 L HN 0.186 nan 8.230 nan 0.000 0.432 310 L N -1.429 119.746 121.223 -0.080 0.000 2.179 310 L HA -0.178 4.162 4.340 0.001 0.000 0.208 310 L C 2.587 179.453 176.870 -0.006 0.000 1.096 310 L CA 0.737 55.581 54.840 0.006 0.000 0.779 310 L CB -0.629 41.454 42.059 0.039 0.000 0.922 310 L HN 0.320 nan 8.230 nan 0.000 0.443 311 H N -0.664 118.310 119.070 -0.160 0.000 2.357 311 H HA -0.125 4.432 4.556 0.001 0.000 0.301 311 H C 2.107 177.245 175.328 -0.316 0.000 1.082 311 H CA 1.622 57.513 56.048 -0.262 0.000 1.342 311 H CB 0.156 29.679 29.762 -0.397 0.000 1.389 311 H HN 0.233 nan 8.280 nan 0.000 0.511 312 H N -0.391 118.496 119.070 -0.306 0.000 2.548 312 H HA 0.267 4.823 4.556 0.001 0.000 0.265 312 H C 2.191 177.423 175.328 -0.159 0.000 0.969 312 H CA 0.634 56.429 56.048 -0.422 0.000 1.155 312 H CB -0.153 29.184 29.762 -0.708 0.000 1.394 312 H HN 0.542 nan 8.280 nan 0.000 0.570 313 A N 2.266 125.113 122.820 0.044 0.000 1.929 313 A HA -0.193 4.128 4.320 0.001 0.000 0.221 313 A C -0.127 177.553 177.584 0.159 0.000 1.211 313 A CA 1.841 53.975 52.037 0.161 0.000 0.657 313 A CB -1.462 17.647 19.000 0.183 0.000 0.827 313 A HN 0.306 nan 8.150 nan 0.000 0.462 314 P HA -0.147 nan 4.420 nan 0.000 0.218 314 P C 1.695 179.069 177.300 0.124 0.000 1.146 314 P CA 2.041 65.196 63.100 0.091 0.000 0.813 314 P CB -0.080 31.638 31.700 0.029 0.000 0.778 315 S N -2.145 113.650 115.700 0.157 0.000 2.527 315 S HA 0.045 4.515 4.470 0.001 0.000 0.227 315 S C 1.728 176.487 174.600 0.264 0.000 1.059 315 S CA -0.069 58.256 58.200 0.208 0.000 0.919 315 S CB -1.351 62.008 63.200 0.267 0.000 0.805 315 S HN -0.023 nan 8.310 nan 0.000 0.500 316 L N 2.275 123.690 121.223 0.320 0.000 2.081 316 L HA 0.107 4.448 4.340 0.001 0.000 0.212 316 L C 2.078 179.161 176.870 0.355 0.000 1.080 316 L CA 1.644 56.708 54.840 0.374 0.000 0.754 316 L CB -0.788 41.480 42.059 0.348 0.000 0.893 316 L HN 0.390 nan 8.230 nan 0.000 0.433 317 L N -0.661 120.752 121.223 0.317 0.000 2.353 317 L HA -0.153 4.187 4.340 0.001 0.000 0.220 317 L C 2.585 179.634 176.870 0.298 0.000 1.133 317 L CA 0.877 55.906 54.840 0.315 0.000 0.798 317 L CB -1.118 41.139 42.059 0.329 0.000 0.922 317 L HN 0.429 nan 8.230 nan 0.000 0.445 318 A N -0.112 122.840 122.820 0.219 0.000 2.024 318 A HA -0.184 4.137 4.320 0.001 0.000 0.220 318 A C 1.898 179.539 177.584 0.094 0.000 1.164 318 A CA 1.567 53.680 52.037 0.126 0.000 0.643 318 A CB -0.486 18.488 19.000 -0.043 0.000 0.806 318 A HN 0.409 nan 8.150 nan 0.000 0.451 319 F N -0.982 119.120 119.950 0.254 0.000 2.678 319 F HA 0.034 4.562 4.527 0.001 0.000 0.291 319 F C 2.588 178.516 175.800 0.213 0.000 1.123 319 F CA 1.024 59.109 58.000 0.142 0.000 1.395 319 F CB 0.303 39.252 39.000 -0.084 0.000 1.121 319 F HN 0.300 nan 8.300 nan 0.000 0.592 320 T N -3.460 111.328 114.554 0.390 0.000 3.040 320 T HA 0.129 4.480 4.350 0.001 0.000 0.252 320 T C 0.477 175.303 174.700 0.210 0.000 1.064 320 T CA 0.342 62.631 62.100 0.315 0.000 1.110 320 T CB -0.276 68.797 68.868 0.341 0.000 0.921 320 T HN -0.042 nan 8.240 nan 0.000 0.480 321 N N 2.435 121.252 118.700 0.195 0.000 2.791 321 N HA 0.351 5.092 4.740 0.001 0.000 0.265 321 N C -2.610 173.000 175.510 0.167 0.000 1.580 321 N CA -1.358 51.731 53.050 0.066 0.000 0.809 321 N CB 1.964 40.367 38.487 -0.140 0.000 1.178 321 N HN 0.255 nan 8.380 nan 0.000 0.499 322 P HA 0.050 nan 4.420 nan 0.000 0.262 322 P C -0.298 177.115 177.300 0.188 0.000 1.304 322 P CA 0.359 63.635 63.100 0.293 0.000 0.859 322 P CB 0.196 32.173 31.700 0.460 0.000 1.310 323 T N -4.705 109.952 114.554 0.173 0.000 2.930 323 T HA 0.367 4.718 4.350 0.001 0.000 0.290 323 T C 1.161 175.978 174.700 0.195 0.000 1.052 323 T CA -0.664 61.511 62.100 0.125 0.000 1.017 323 T CB 1.292 70.204 68.868 0.073 0.000 1.137 323 T HN -0.295 nan 8.240 nan 0.000 0.511 324 V N 1.558 121.545 119.914 0.122 0.000 2.343 324 V HA -0.164 3.957 4.120 0.001 0.000 0.247 324 V C 2.849 179.037 176.094 0.157 0.000 1.051 324 V CA 2.163 64.548 62.300 0.141 0.000 1.036 324 V CB -0.992 30.855 31.823 0.041 0.000 0.654 324 V HN 1.008 nan 8.190 nan 0.000 0.451 325 N N -0.037 118.703 118.700 0.066 0.000 2.289 325 N HA -0.158 4.583 4.740 0.001 0.000 0.184 325 N C 1.912 177.431 175.510 0.015 0.000 1.016 325 N CA 1.357 54.420 53.050 0.023 0.000 0.872 325 N CB 0.054 38.526 38.487 -0.026 0.000 0.973 325 N HN 0.445 nan 8.380 nan 0.000 0.433 326 S N -0.099 115.592 115.700 -0.015 0.000 2.387 326 S HA -0.154 4.317 4.470 0.001 0.000 0.230 326 S C 1.150 175.535 174.600 -0.359 0.000 1.035 326 S CA 1.184 59.251 58.200 -0.222 0.000 1.014 326 S CB -0.326 62.631 63.200 -0.404 0.000 0.836 326 S HN 0.499 nan 8.310 nan 0.000 0.466 327 Y N 0.636 120.962 120.300 0.044 0.000 2.511 327 Y HA 0.207 4.758 4.550 0.001 0.000 0.279 327 Y C 1.992 177.915 175.900 0.040 0.000 1.157 327 Y CA 0.249 58.377 58.100 0.046 0.000 1.300 327 Y CB 0.009 38.494 38.460 0.042 0.000 1.052 327 Y HN 0.019 nan 8.280 nan 0.000 0.529 328 K N 0.227 120.686 120.400 0.098 0.000 2.296 328 K HA -0.028 4.293 4.320 0.001 0.000 0.200 328 K C 2.088 178.706 176.600 0.029 0.000 1.048 328 K CA 0.495 56.819 56.287 0.062 0.000 0.966 328 K CB 0.046 32.565 32.500 0.032 0.000 0.754 328 K HN 0.160 nan 8.250 nan 0.000 0.466 329 R N 0.293 120.795 120.500 0.003 0.000 2.127 329 R HA 0.092 4.433 4.340 0.001 0.000 0.217 329 R C 0.256 176.579 176.300 0.039 0.000 1.074 329 R CA 0.528 56.627 56.100 -0.001 0.000 0.991 329 R CB 0.092 30.387 30.300 -0.007 0.000 0.895 329 R HN 0.079 nan 8.270 nan 0.000 0.450 330 L N 3.569 124.814 121.223 0.037 0.000 2.650 330 L HA 0.158 4.498 4.340 0.001 0.000 0.239 330 L C -0.451 176.491 176.870 0.120 0.000 1.412 330 L CA -0.483 54.407 54.840 0.084 0.000 1.219 330 L CB 0.117 42.227 42.059 0.084 0.000 1.534 330 L HN 0.067 nan 8.230 nan 0.000 0.430 331 V N -1.726 118.259 119.914 0.117 0.000 2.914 331 V HA 0.705 4.826 4.120 0.001 0.000 0.314 331 V C -2.535 173.590 176.094 0.051 0.000 1.084 331 V CA -2.335 60.034 62.300 0.114 0.000 0.963 331 V CB 1.839 33.746 31.823 0.140 0.000 1.025 331 V HN 0.058 nan 8.190 nan 0.000 0.432 332 P HA 0.459 nan 4.420 nan 0.000 0.275 332 P C 0.682 177.540 177.300 -0.735 0.000 1.227 332 P CA 1.172 63.960 63.100 -0.520 0.000 0.781 332 P CB 1.229 32.762 31.700 -0.278 0.000 0.906 333 G N 1.359 109.314 108.800 -1.407 0.000 2.175 333 G HA2 -0.206 3.755 3.960 0.001 0.000 0.182 333 G HA3 -0.206 3.755 3.960 0.001 0.000 0.182 333 G C -0.164 174.137 174.900 -0.998 0.000 1.003 333 G CA -0.369 44.071 45.100 -1.099 0.000 0.666 333 G HN 0.485 nan 8.290 nan 0.000 0.506 334 Y N 0.164 120.320 120.300 -0.240 0.000 2.768 334 Y HA 0.446 4.997 4.550 0.001 0.000 0.249 334 Y C 1.040 176.969 175.900 0.050 0.000 1.146 334 Y CA -0.206 57.864 58.100 -0.050 0.000 1.171 334 Y CB 0.240 38.680 38.460 -0.034 0.000 1.249 334 Y HN 0.380 nan 8.280 nan 0.000 0.567 335 E N -0.584 119.750 120.200 0.223 0.000 2.971 335 E HA -0.209 4.141 4.350 0.001 0.000 0.278 335 E C 0.138 176.883 176.600 0.242 0.000 1.009 335 E CA 0.506 57.047 56.400 0.236 0.000 0.862 335 E CB -1.249 28.532 29.700 0.136 0.000 1.436 335 E HN 0.398 nan 8.360 nan 0.000 0.434 336 A N 0.495 123.478 122.820 0.271 0.000 2.337 336 A HA 0.697 5.018 4.320 0.001 0.000 0.331 336 A C -2.550 175.184 177.584 0.250 0.000 1.137 336 A CA -1.547 50.622 52.037 0.221 0.000 0.807 336 A CB 0.965 20.070 19.000 0.175 0.000 1.250 336 A HN -0.137 nan 8.150 nan 0.000 0.468 337 P HA 0.298 nan 4.420 nan 0.000 0.271 337 P C 0.197 177.620 177.300 0.204 0.000 1.218 337 P CA 0.088 63.293 63.100 0.175 0.000 0.780 337 P CB 0.356 32.126 31.700 0.116 0.000 0.901 338 I N -1.425 119.282 120.570 0.227 0.000 4.338 338 I HA 0.385 4.556 4.170 0.001 0.000 0.329 338 I C -0.249 175.962 176.117 0.155 0.000 1.378 338 I CA -0.275 61.146 61.300 0.201 0.000 1.170 338 I CB -0.017 38.131 38.000 0.247 0.000 1.206 338 I HN 0.195 nan 8.210 nan 0.000 0.432 339 N N 0.761 119.543 118.700 0.137 0.000 3.020 339 N HA 0.390 5.130 4.740 0.001 0.000 0.248 339 N C -1.194 174.385 175.510 0.116 0.000 1.480 339 N CA -0.924 52.193 53.050 0.112 0.000 0.874 339 N CB 0.799 39.337 38.487 0.085 0.000 1.433 339 N HN 0.074 nan 8.380 nan 0.000 0.530 340 L N 0.579 121.867 121.223 0.108 0.000 2.657 340 L HA 0.501 4.842 4.340 0.001 0.000 0.239 340 L C -0.070 176.872 176.870 0.121 0.000 1.215 340 L CA -0.829 54.088 54.840 0.128 0.000 1.161 340 L CB -0.101 42.026 42.059 0.115 0.000 1.436 340 L HN 0.529 nan 8.230 nan 0.000 0.414 341 V N -0.679 119.307 119.914 0.120 0.000 2.864 341 V HA 0.603 4.724 4.120 0.001 0.000 0.314 341 V C -0.784 175.421 176.094 0.184 0.000 1.073 341 V CA -0.699 61.670 62.300 0.115 0.000 0.956 341 V CB 1.877 33.713 31.823 0.020 0.000 1.023 341 V HN 0.431 nan 8.190 nan 0.000 0.435 342 Y N 2.439 122.753 120.300 0.023 0.000 2.420 342 Y HA 0.885 5.436 4.550 0.001 0.000 0.334 342 Y C -0.113 175.812 175.900 0.042 0.000 1.094 342 Y CA -0.235 57.890 58.100 0.042 0.000 1.126 342 Y CB 1.943 40.435 38.460 0.054 0.000 1.217 342 Y HN 1.015 nan 8.280 nan 0.000 0.462 343 S N 2.813 118.508 115.700 -0.009 0.000 2.548 343 S HA 0.217 4.688 4.470 0.001 0.000 0.278 343 S C -1.561 173.082 174.600 0.071 0.000 1.150 343 S CA -0.990 57.187 58.200 -0.038 0.000 0.907 343 S CB 1.117 64.275 63.200 -0.069 0.000 1.108 343 S HN 1.020 nan 8.310 nan 0.000 0.459 344 Q N 3.317 123.180 119.800 0.105 0.000 2.340 344 Q HA 0.542 4.882 4.340 0.001 0.000 0.249 344 Q C 0.538 176.531 176.000 -0.011 0.000 0.957 344 Q CA -0.391 55.415 55.803 0.005 0.000 0.882 344 Q CB 0.465 29.121 28.738 -0.137 0.000 1.235 344 Q HN 0.845 nan 8.270 nan 0.000 0.439 345 R N 0.349 120.838 120.500 -0.019 0.000 3.994 345 R HA -0.211 4.130 4.340 0.001 0.000 0.403 345 R C -0.873 175.408 176.300 -0.031 0.000 1.126 345 R CA 1.062 57.149 56.100 -0.022 0.000 1.143 345 R CB -1.020 29.264 30.300 -0.027 0.000 1.695 345 R HN 0.884 nan 8.270 nan 0.000 0.555 346 N N 0.628 119.307 118.700 -0.034 0.000 2.501 346 N HA 0.175 4.916 4.740 0.001 0.000 0.245 346 N C 0.324 175.794 175.510 -0.067 0.000 0.974 346 N CA -0.252 52.764 53.050 -0.056 0.000 0.941 346 N CB 0.785 39.236 38.487 -0.060 0.000 1.122 346 N HN 0.199 nan 8.380 nan 0.000 0.507 347 R N 0.578 121.034 120.500 -0.072 0.000 2.313 347 R HA 0.020 4.360 4.340 0.001 0.000 0.199 347 R C 1.226 177.497 176.300 -0.048 0.000 0.958 347 R CA 0.515 56.577 56.100 -0.063 0.000 1.047 347 R CB 0.226 30.498 30.300 -0.047 0.000 0.955 347 R HN 0.524 nan 8.270 nan 0.000 0.481 348 S N -1.089 114.532 115.700 -0.132 0.000 2.556 348 S HA 0.266 4.737 4.470 0.001 0.000 0.216 348 S C 0.689 175.186 174.600 -0.171 0.000 0.970 348 S CA -0.414 57.621 58.200 -0.274 0.000 0.912 348 S CB 0.604 63.345 63.200 -0.765 0.000 0.790 348 S HN 0.187 nan 8.310 nan 0.000 0.504 349 A N 0.142 122.912 122.820 -0.084 0.000 2.264 349 A HA 0.620 4.941 4.320 0.001 0.000 0.304 349 A C 1.360 178.969 177.584 0.041 0.000 1.100 349 A CA -0.382 51.642 52.037 -0.022 0.000 0.839 349 A CB 0.493 19.485 19.000 -0.013 0.000 1.121 349 A HN 0.410 nan 8.150 nan 0.000 0.496 350 C N -0.026 119.335 119.300 0.101 0.000 2.486 350 C HA 0.265 4.726 4.460 0.001 0.000 0.279 350 C C 0.646 175.780 174.990 0.241 0.000 1.302 350 C CA 0.858 59.978 59.018 0.170 0.000 1.720 350 C CB -0.695 27.182 27.740 0.228 0.000 2.030 350 C HN 0.507 nan 8.230 nan 0.000 0.490 351 V N 2.546 122.601 119.914 0.234 0.000 2.407 351 V HA 0.392 4.513 4.120 0.001 0.000 0.291 351 V C -0.180 176.004 176.094 0.151 0.000 1.018 351 V CA -0.414 62.022 62.300 0.226 0.000 0.842 351 V CB 1.215 33.181 31.823 0.238 0.000 0.996 351 V HN 0.423 nan 8.190 nan 0.000 0.426 352 R N 5.529 126.061 120.500 0.054 0.000 2.407 352 R HA 0.574 4.915 4.340 0.001 0.000 0.303 352 R C -1.053 175.260 176.300 0.023 0.000 0.981 352 R CA -0.709 55.403 56.100 0.020 0.000 0.905 352 R CB 1.123 31.391 30.300 -0.052 0.000 1.099 352 R HN 0.545 nan 8.270 nan 0.000 0.459 353 I N 6.601 127.202 120.570 0.052 0.000 2.291 353 I HA 0.291 4.462 4.170 0.001 0.000 0.290 353 I C -2.024 174.096 176.117 0.006 0.000 1.050 353 I CA -3.037 58.282 61.300 0.033 0.000 1.245 353 I CB 0.784 38.816 38.000 0.054 0.000 1.405 353 I HN 0.549 nan 8.210 nan 0.000 0.478 354 P HA 0.119 nan 4.420 nan 0.000 0.269 354 P C -0.322 176.992 177.300 0.024 0.000 1.209 354 P CA -0.288 62.837 63.100 0.041 0.000 0.776 354 P CB 1.051 32.816 31.700 0.108 0.000 0.876 355 I N 3.410 123.992 120.570 0.019 0.000 2.347 355 I HA 0.055 4.225 4.170 0.001 0.000 0.294 355 I C 1.594 177.722 176.117 0.018 0.000 1.090 355 I CA 0.510 61.814 61.300 0.006 0.000 1.314 355 I CB -0.541 37.458 38.000 -0.001 0.000 1.423 355 I HN 0.460 nan 8.210 nan 0.000 0.503 356 T N 1.201 115.766 114.554 0.018 0.000 3.004 356 T HA 0.477 4.828 4.350 0.001 0.000 0.266 356 T C 0.905 175.608 174.700 0.006 0.000 0.986 356 T CA 0.189 62.299 62.100 0.016 0.000 0.902 356 T CB 0.663 69.542 68.868 0.019 0.000 1.118 356 T HN 0.874 nan 8.240 nan 0.000 0.522 357 G N 2.039 110.847 108.800 0.014 0.000 2.499 357 G HA2 -0.238 3.723 3.960 0.001 0.000 0.232 357 G HA3 -0.238 3.723 3.960 0.001 0.000 0.232 357 G C 0.809 175.725 174.900 0.026 0.000 1.251 357 G CA 0.463 45.571 45.100 0.012 0.000 0.917 357 G HN 1.126 nan 8.290 nan 0.000 0.580 358 S N -0.255 115.437 115.700 -0.013 0.000 2.535 358 S HA 0.212 4.683 4.470 0.001 0.000 0.214 358 S C 0.788 175.210 174.600 -0.298 0.000 0.980 358 S CA 0.965 59.139 58.200 -0.044 0.000 0.907 358 S CB 0.137 63.341 63.200 0.007 0.000 0.790 358 S HN 1.037 nan 8.310 nan 0.000 0.510 359 N N 3.844 122.404 118.700 -0.233 0.000 2.427 359 N HA 0.196 4.937 4.740 0.001 0.000 0.269 359 N C -1.951 173.287 175.510 -0.453 0.000 1.235 359 N CA -1.776 51.109 53.050 -0.274 0.000 0.934 359 N CB 1.070 39.479 38.487 -0.130 0.000 1.121 359 N HN 0.050 nan 8.380 nan 0.000 0.480 360 P HA -0.074 nan 4.420 nan 0.000 0.221 360 P C 0.651 177.771 177.300 -0.300 0.000 1.150 360 P CA 1.225 63.887 63.100 -0.731 0.000 0.800 360 P CB 0.323 31.687 31.700 -0.561 0.000 0.787 361 K N -0.295 120.003 120.400 -0.171 0.000 2.148 361 K HA 0.029 4.350 4.320 0.001 0.000 0.204 361 K C 1.953 178.616 176.600 0.105 0.000 1.050 361 K CA 1.297 57.613 56.287 0.047 0.000 0.942 361 K CB -0.402 32.212 32.500 0.190 0.000 0.724 361 K HN 0.061 nan 8.250 nan 0.000 0.446 362 A N 1.355 124.172 122.820 -0.004 0.000 2.208 362 A HA -0.012 4.308 4.320 0.001 0.000 0.209 362 A C 0.709 178.291 177.584 -0.002 0.000 1.161 362 A CA 0.183 52.216 52.037 -0.007 0.000 0.782 362 A CB -0.025 18.965 19.000 -0.017 0.000 0.816 362 A HN -0.001 nan 8.150 nan 0.000 0.477 363 K N 1.620 122.024 120.400 0.006 0.000 2.416 363 K HA 0.256 4.577 4.320 0.001 0.000 0.283 363 K C 0.307 176.911 176.600 0.008 0.000 1.037 363 K CA 0.270 56.583 56.287 0.043 0.000 0.995 363 K CB 0.093 32.674 32.500 0.136 0.000 0.938 363 K HN 0.653 nan 8.250 nan 0.000 0.475 364 R N 2.542 123.040 120.500 -0.005 0.000 2.728 364 R HA 0.393 4.733 4.340 0.001 0.000 0.274 364 R C -1.532 174.737 176.300 -0.051 0.000 1.032 364 R CA -1.143 54.929 56.100 -0.046 0.000 0.866 364 R CB 0.120 30.398 30.300 -0.036 0.000 1.263 364 R HN 0.348 nan 8.270 nan 0.000 0.475 365 L N -1.599 119.561 121.223 -0.106 0.000 2.334 365 L HA 0.643 4.983 4.340 0.001 0.000 0.275 365 L C -0.304 176.476 176.870 -0.150 0.000 1.036 365 L CA -0.494 54.291 54.840 -0.090 0.000 0.807 365 L CB 1.665 43.670 42.059 -0.090 0.000 1.231 365 L HN 0.774 nan 8.230 nan 0.000 0.438 366 E N 2.120 122.215 120.200 -0.176 0.000 2.102 366 E HA 0.246 4.597 4.350 0.001 0.000 0.263 366 E C -1.674 174.918 176.600 -0.014 0.000 0.894 366 E CA -0.761 55.446 56.400 -0.322 0.000 0.746 366 E CB 0.898 30.263 29.700 -0.558 0.000 1.129 366 E HN 0.618 nan 8.360 nan 0.000 0.416 367 F N 5.020 124.915 119.950 -0.091 0.000 2.434 367 F HA 0.263 4.791 4.527 0.001 0.000 0.358 367 F C 0.737 176.575 175.800 0.063 0.000 1.136 367 F CA -0.605 57.410 58.000 0.026 0.000 1.157 367 F CB 0.437 39.500 39.000 0.104 0.000 1.167 367 F HN 0.548 nan 8.300 nan 0.000 0.539 368 R N 2.035 122.488 120.500 -0.077 0.000 2.276 368 R HA -0.029 4.312 4.340 0.001 0.000 0.196 368 R C 2.285 178.515 176.300 -0.117 0.000 0.961 368 R CA 0.692 56.719 56.100 -0.123 0.000 1.024 368 R CB 0.108 30.283 30.300 -0.208 0.000 0.940 368 R HN 0.623 nan 8.270 nan 0.000 0.480 369 S N 1.157 116.569 115.700 -0.481 0.000 2.368 369 S HA 0.011 4.482 4.470 0.001 0.000 0.224 369 S C -1.617 172.829 174.600 -0.258 0.000 1.029 369 S CA 0.440 58.406 58.200 -0.392 0.000 0.988 369 S CB -0.518 62.385 63.200 -0.496 0.000 0.838 369 S HN 0.076 nan 8.310 nan 0.000 0.462 370 P HA 0.232 nan 4.420 nan 0.000 0.270 370 P C -0.869 176.454 177.300 0.038 0.000 1.223 370 P CA -0.068 63.003 63.100 -0.047 0.000 0.785 370 P CB 0.474 32.218 31.700 0.073 0.000 0.923 371 D N -1.845 118.599 120.400 0.073 0.000 2.687 371 D HA 0.319 4.960 4.640 0.001 0.000 0.264 371 D C -0.213 176.169 176.300 0.137 0.000 1.091 371 D CA -0.707 53.350 54.000 0.094 0.000 1.123 371 D CB 0.150 40.986 40.800 0.060 0.000 1.407 371 D HN -0.010 nan 8.370 nan 0.000 0.591 372 S N -1.142 114.658 115.700 0.165 0.000 2.660 372 S HA 0.070 4.541 4.470 0.001 0.000 0.227 372 S C 1.077 175.755 174.600 0.131 0.000 0.948 372 S CA 0.025 58.321 58.200 0.161 0.000 0.948 372 S CB -0.482 62.873 63.200 0.258 0.000 0.779 372 S HN 0.527 nan 8.310 nan 0.000 0.487 373 S N 0.446 116.225 115.700 0.132 0.000 2.631 373 S HA 0.383 4.854 4.470 0.001 0.000 0.217 373 S C 0.960 175.637 174.600 0.129 0.000 0.958 373 S CA 0.066 58.338 58.200 0.120 0.000 0.920 373 S CB 0.332 63.593 63.200 0.101 0.000 0.776 373 S HN 0.471 nan 8.310 nan 0.000 0.517 374 G N 1.160 110.049 108.800 0.148 0.000 3.382 374 G HA2 0.380 4.340 3.960 0.001 0.000 0.183 374 G HA3 0.380 4.340 3.960 0.001 0.000 0.183 374 G C -1.242 173.756 174.900 0.164 0.000 1.246 374 G CA -0.538 44.691 45.100 0.215 0.000 0.828 374 G HN 0.302 nan 8.290 nan 0.000 0.728 375 N N 1.235 120.052 118.700 0.196 0.000 2.483 375 N HA 0.361 5.102 4.740 0.001 0.000 0.267 375 N C -1.822 173.641 175.510 -0.078 0.000 0.998 375 N CA -1.852 51.260 53.050 0.104 0.000 0.918 375 N CB 2.891 41.504 38.487 0.210 0.000 1.215 375 N HN -0.017 nan 8.380 nan 0.000 0.500 376 P HA -0.078 nan 4.420 nan 0.000 0.219 376 P C 0.843 177.579 177.300 -0.939 0.000 1.150 376 P CA 1.057 63.666 63.100 -0.819 0.000 0.814 376 P CB 0.232 31.341 31.700 -0.986 0.000 0.787 377 Y N 0.319 120.374 120.300 -0.408 0.000 2.128 377 Y HA -0.137 4.413 4.550 0.001 0.000 0.284 377 Y C 2.724 178.477 175.900 -0.245 0.000 1.154 377 Y CA 1.114 59.040 58.100 -0.289 0.000 1.149 377 Y CB -1.537 36.812 38.460 -0.184 0.000 0.976 377 Y HN -0.188 nan 8.280 nan 0.000 0.505 378 L N -1.067 120.122 121.223 -0.056 0.000 2.072 378 L HA -0.114 4.227 4.340 0.001 0.000 0.205 378 L C 2.671 179.526 176.870 -0.025 0.000 1.079 378 L CA 0.894 55.654 54.840 -0.135 0.000 0.752 378 L CB -0.897 41.033 42.059 -0.214 0.000 0.906 378 L HN 0.225 nan 8.230 nan 0.000 0.436 379 A N 0.394 123.234 122.820 0.033 0.000 1.855 379 A HA -0.187 4.133 4.320 0.001 0.000 0.215 379 A C 2.055 179.849 177.584 0.351 0.000 1.191 379 A CA 1.354 53.518 52.037 0.212 0.000 0.613 379 A CB -0.694 18.440 19.000 0.225 0.000 0.829 379 A HN 0.257 nan 8.150 nan 0.000 0.442 380 F N 1.057 120.992 119.950 -0.024 0.000 2.126 380 F HA -0.123 4.405 4.527 0.001 0.000 0.299 380 F C 2.858 178.587 175.800 -0.119 0.000 1.096 380 F CA 0.983 58.825 58.000 -0.262 0.000 1.255 380 F CB -1.407 37.108 39.000 -0.808 0.000 0.997 380 F HN 0.163 nan 8.300 nan 0.000 0.479 381 S N 0.206 115.985 115.700 0.133 0.000 2.356 381 S HA -0.144 4.327 4.470 0.001 0.000 0.223 381 S C 2.391 177.147 174.600 0.260 0.000 1.032 381 S CA 1.137 59.428 58.200 0.152 0.000 1.005 381 S CB -0.700 62.510 63.200 0.017 0.000 0.867 381 S HN 0.351 nan 8.310 nan 0.000 0.449 382 A N 1.475 124.431 122.820 0.225 0.000 1.902 382 A HA -0.072 4.249 4.320 0.001 0.000 0.217 382 A C 2.148 179.855 177.584 0.205 0.000 1.181 382 A CA 1.490 53.561 52.037 0.058 0.000 0.623 382 A CB -0.643 18.304 19.000 -0.088 0.000 0.818 382 A HN 0.476 nan 8.150 nan 0.000 0.443 383 M N -1.299 118.494 119.600 0.322 0.000 2.108 383 M HA -0.151 4.330 4.480 0.001 0.000 0.261 383 M C 2.203 178.662 176.300 0.266 0.000 1.066 383 M CA 1.621 57.129 55.300 0.347 0.000 1.107 383 M CB -0.450 32.487 32.600 0.562 0.000 1.356 383 M HN 0.472 nan 8.290 nan 0.000 0.406 384 L N 0.434 121.889 121.223 0.387 0.000 2.017 384 L HA -0.175 4.165 4.340 0.001 0.000 0.208 384 L C 2.304 179.264 176.870 0.151 0.000 1.073 384 L CA 1.838 56.886 54.840 0.347 0.000 0.745 384 L CB -0.481 41.842 42.059 0.439 0.000 0.894 384 L HN 0.247 nan 8.230 nan 0.000 0.432 385 M N -0.541 119.160 119.600 0.167 0.000 2.202 385 M HA -0.130 4.351 4.480 0.001 0.000 0.262 385 M C 2.382 178.770 176.300 0.147 0.000 1.063 385 M CA 1.716 57.097 55.300 0.135 0.000 1.097 385 M CB -1.844 30.784 32.600 0.047 0.000 1.382 385 M HN 0.456 nan 8.290 nan 0.000 0.413 386 A N 0.078 122.969 122.820 0.120 0.000 1.897 386 A HA 0.080 4.400 4.320 0.001 0.000 0.215 386 A C 2.465 179.959 177.584 -0.151 0.000 1.181 386 A CA 1.753 53.785 52.037 -0.007 0.000 0.620 386 A CB -1.347 17.646 19.000 -0.012 0.000 0.821 386 A HN 0.489 nan 8.150 nan 0.000 0.443 387 G N -0.242 108.276 108.800 -0.470 0.000 2.408 387 G HA2 -0.127 3.834 3.960 0.001 0.000 0.217 387 G HA3 -0.127 3.834 3.960 0.001 0.000 0.217 387 G C 1.534 176.124 174.900 -0.517 0.000 1.150 387 G CA 0.970 45.408 45.100 -1.102 0.000 0.776 387 G HN 0.411 nan 8.290 nan 0.000 0.542 388 L N 0.149 121.244 121.223 -0.212 0.000 2.109 388 L HA -0.017 4.323 4.340 0.001 0.000 0.207 388 L C 2.484 179.384 176.870 0.051 0.000 1.086 388 L CA 1.301 56.152 54.840 0.017 0.000 0.760 388 L CB -0.321 41.836 42.059 0.162 0.000 0.910 388 L HN 0.196 nan 8.230 nan 0.000 0.437 389 D N 0.091 120.530 120.400 0.064 0.000 2.144 389 D HA -0.143 4.497 4.640 0.001 0.000 0.199 389 D C 2.130 178.450 176.300 0.033 0.000 0.984 389 D CA 1.315 55.374 54.000 0.098 0.000 0.834 389 D CB 0.038 40.950 40.800 0.185 0.000 0.955 389 D HN 0.209 nan 8.370 nan 0.000 0.465 390 G N 0.194 108.986 108.800 -0.014 0.000 2.418 390 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 390 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 390 G C 1.746 176.614 174.900 -0.053 0.000 1.158 390 G CA 0.685 45.749 45.100 -0.060 0.000 0.771 390 G HN 0.342 nan 8.290 nan 0.000 0.545 391 I N 0.147 120.720 120.570 0.005 0.000 2.202 391 I HA -0.093 4.077 4.170 0.001 0.000 0.242 391 I C 2.698 178.795 176.117 -0.034 0.000 1.091 391 I CA 1.309 62.636 61.300 0.045 0.000 1.368 391 I CB -0.160 37.903 38.000 0.105 0.000 1.058 391 I HN 0.099 nan 8.210 nan 0.000 0.410 392 K N 0.802 121.194 120.400 -0.014 0.000 2.057 392 K HA -0.137 4.184 4.320 0.001 0.000 0.207 392 K C 1.403 177.965 176.600 -0.063 0.000 1.049 392 K CA 1.402 57.679 56.287 -0.017 0.000 0.931 392 K CB 0.046 32.562 32.500 0.027 0.000 0.714 392 K HN 0.277 nan 8.250 nan 0.000 0.440 393 N N 1.117 119.763 118.700 -0.090 0.000 2.314 393 N HA 0.004 4.745 4.740 0.001 0.000 0.200 393 N C -0.830 174.540 175.510 -0.233 0.000 1.135 393 N CA 0.237 53.209 53.050 -0.129 0.000 0.835 393 N CB 0.575 38.997 38.487 -0.109 0.000 0.989 393 N HN 0.120 nan 8.380 nan 0.000 0.478 394 K N 0.968 121.150 120.400 -0.363 0.000 3.356 394 K HA -0.177 4.143 4.320 0.001 0.000 0.270 394 K C -0.413 175.859 176.600 -0.547 0.000 0.901 394 K CA 0.417 56.224 56.287 -0.799 0.000 0.688 394 K CB -1.508 30.608 32.500 -0.640 0.000 1.460 394 K HN 0.359 nan 8.250 nan 0.000 0.458 395 I N 1.917 122.287 120.570 -0.333 0.000 2.517 395 I HA -0.027 4.144 4.170 0.001 0.000 0.285 395 I C 1.006 177.105 176.117 -0.030 0.000 1.106 395 I CA 0.125 61.305 61.300 -0.201 0.000 1.402 395 I CB 0.391 38.240 38.000 -0.251 0.000 1.399 395 I HN 0.086 nan 8.210 nan 0.000 0.535 396 E N 8.656 128.848 120.200 -0.014 0.000 2.229 396 E HA 0.296 4.646 4.350 0.001 0.000 0.283 396 E C -2.073 174.534 176.600 0.011 0.000 1.030 396 E CA -1.718 54.717 56.400 0.057 0.000 0.836 396 E CB 0.795 30.523 29.700 0.046 0.000 1.068 396 E HN 0.353 nan 8.360 nan 0.000 0.401 397 P HA 0.034 nan 4.420 nan 0.000 0.274 397 P C -0.310 177.041 177.300 0.085 0.000 1.231 397 P CA -0.351 62.764 63.100 0.024 0.000 0.790 397 P CB 0.658 32.318 31.700 -0.067 0.000 0.951 398 Q N 1.308 121.160 119.800 0.086 0.000 2.421 398 Q HA 0.414 4.755 4.340 0.001 0.000 0.255 398 Q C -0.087 175.958 176.000 0.075 0.000 1.013 398 Q CA -0.821 55.019 55.803 0.061 0.000 0.895 398 Q CB 0.122 28.882 28.738 0.037 0.000 1.271 398 Q HN 0.499 nan 8.270 nan 0.000 0.460 399 A N 3.223 126.036 122.820 -0.011 0.000 2.565 399 A HA 0.187 4.508 4.320 0.001 0.000 0.237 399 A C -1.859 175.579 177.584 -0.243 0.000 1.053 399 A CA -0.918 51.050 52.037 -0.114 0.000 0.755 399 A CB -0.725 18.198 19.000 -0.128 0.000 0.980 399 A HN 0.707 nan 8.150 nan 0.000 0.506 400 P HA 0.177 nan 4.420 nan 0.000 0.266 400 P C -0.760 176.287 177.300 -0.423 0.000 1.195 400 P CA 0.094 62.728 63.100 -0.776 0.000 0.768 400 P CB 0.520 31.390 31.700 -1.383 0.000 0.838 401 V N 3.454 123.195 119.914 -0.287 0.000 2.326 401 V HA 0.135 4.256 4.120 0.001 0.000 0.281 401 V C 0.065 176.077 176.094 -0.136 0.000 1.015 401 V CA -0.283 61.913 62.300 -0.173 0.000 0.823 401 V CB 1.116 32.869 31.823 -0.117 0.000 1.009 401 V HN 0.396 nan 8.190 nan 0.000 0.436 402 D N 5.120 125.456 120.400 -0.107 0.000 2.896 402 D HA 0.344 4.984 4.640 0.001 0.000 0.240 402 D C 0.143 176.404 176.300 -0.064 0.000 1.193 402 D CA 0.174 54.136 54.000 -0.064 0.000 0.983 402 D CB 0.362 41.150 40.800 -0.019 0.000 1.074 402 D HN 0.575 nan 8.370 nan 0.000 0.496 403 K N -0.305 120.045 120.400 -0.083 0.000 2.495 403 K HA 0.249 4.570 4.320 0.001 0.000 0.268 403 K C -0.770 175.757 176.600 -0.123 0.000 1.008 403 K CA -1.024 55.212 56.287 -0.085 0.000 0.882 403 K CB 1.693 34.149 32.500 -0.073 0.000 1.443 403 K HN -0.205 nan 8.250 nan 0.000 0.447 404 D N 1.917 122.243 120.400 -0.123 0.000 2.349 404 D HA 0.032 4.673 4.640 0.001 0.000 0.266 404 D C 0.485 176.651 176.300 -0.223 0.000 1.293 404 D CA 0.147 54.035 54.000 -0.186 0.000 0.926 404 D CB 0.507 41.240 40.800 -0.112 0.000 1.090 404 D HN 0.454 nan 8.370 nan 0.000 0.502 405 L N 3.851 124.850 121.223 -0.374 0.000 2.552 405 L HA -0.113 4.227 4.340 0.001 0.000 0.227 405 L C 1.070 177.834 176.870 -0.177 0.000 1.146 405 L CA 0.335 55.009 54.840 -0.276 0.000 0.858 405 L CB -0.287 41.618 42.059 -0.257 0.000 0.969 405 L HN 0.472 nan 8.230 nan 0.000 0.451 406 Y N -1.060 119.231 120.300 -0.015 0.000 2.517 406 Y HA 0.042 4.593 4.550 0.001 0.000 0.281 406 Y C 1.947 177.835 175.900 -0.019 0.000 1.125 406 Y CA -0.134 57.956 58.100 -0.017 0.000 1.283 406 Y CB -0.119 38.319 38.460 -0.037 0.000 1.042 406 Y HN 0.104 nan 8.280 nan 0.000 0.547 407 E N 0.338 120.579 120.200 0.067 0.000 2.501 407 E HA 0.196 4.546 4.350 0.001 0.000 0.200 407 E C -0.029 176.578 176.600 0.011 0.000 1.016 407 E CA -0.015 56.407 56.400 0.036 0.000 0.921 407 E CB 0.170 29.878 29.700 0.014 0.000 1.034 407 E HN 0.371 nan 8.360 nan 0.000 0.468 408 L N 3.728 124.956 121.223 0.007 0.000 2.453 408 L HA 0.116 4.457 4.340 0.001 0.000 0.272 408 L C -1.741 175.134 176.870 0.008 0.000 1.182 408 L CA -1.437 53.402 54.840 -0.002 0.000 0.858 408 L CB -0.255 41.800 42.059 -0.006 0.000 1.120 408 L HN -0.181 nan 8.230 nan 0.000 0.474 409 P HA 0.061 nan 4.420 nan 0.000 0.266 409 P C -2.131 175.174 177.300 0.009 0.000 1.195 409 P CA -1.147 61.956 63.100 0.005 0.000 0.768 409 P CB 0.116 31.816 31.700 -0.000 0.000 0.838 410 P HA -0.243 nan 4.420 nan 0.000 0.225 410 P C 1.116 178.424 177.300 0.013 0.000 1.154 410 P CA 1.918 65.027 63.100 0.015 0.000 0.933 410 P CB -0.039 31.669 31.700 0.013 0.000 0.790 411 E N -1.686 118.519 120.200 0.009 0.000 2.385 411 E HA -0.059 4.292 4.350 0.001 0.000 0.194 411 E C 2.017 178.619 176.600 0.004 0.000 1.013 411 E CA 0.154 56.558 56.400 0.007 0.000 0.866 411 E CB -0.150 29.552 29.700 0.004 0.000 0.832 411 E HN 0.404 nan 8.360 nan 0.000 0.500 412 E N 0.731 120.932 120.200 0.002 0.000 2.051 412 E HA -0.098 4.253 4.350 0.001 0.000 0.189 412 E C 2.043 178.644 176.600 0.001 0.000 0.979 412 E CA 0.763 57.161 56.400 -0.003 0.000 0.803 412 E CB 0.010 29.705 29.700 -0.009 0.000 0.761 412 E HN 0.215 nan 8.360 nan 0.000 0.451 413 A N 1.163 123.988 122.820 0.008 0.000 1.978 413 A HA -0.122 4.199 4.320 0.001 0.000 0.220 413 A C 2.264 179.861 177.584 0.022 0.000 1.170 413 A CA 1.711 53.758 52.037 0.017 0.000 0.636 413 A CB -0.527 18.490 19.000 0.028 0.000 0.810 413 A HN 0.353 nan 8.150 nan 0.000 0.448 414 A N 0.069 122.900 122.820 0.018 0.000 2.119 414 A HA 0.066 4.387 4.320 0.001 0.000 0.217 414 A C 2.156 179.750 177.584 0.017 0.000 1.153 414 A CA 1.613 53.662 52.037 0.020 0.000 0.692 414 A CB -0.611 18.399 19.000 0.017 0.000 0.799 414 A HN 0.926 nan 8.150 nan 0.000 0.458 415 S N -0.894 114.813 115.700 0.012 0.000 2.575 415 S HA 0.365 4.835 4.470 0.001 0.000 0.215 415 S C 0.299 174.907 174.600 0.012 0.000 0.966 415 S CA -0.278 57.928 58.200 0.009 0.000 0.911 415 S CB -0.431 62.770 63.200 0.002 0.000 0.780 415 S HN 0.362 nan 8.310 nan 0.000 0.514 416 I N 2.482 123.062 120.570 0.017 0.000 2.378 416 I HA 0.408 4.579 4.170 0.001 0.000 0.291 416 I C -2.726 173.413 176.117 0.035 0.000 0.992 416 I CA -2.876 58.438 61.300 0.024 0.000 1.154 416 I CB 1.780 39.792 38.000 0.021 0.000 1.315 416 I HN -0.111 nan 8.210 nan 0.000 0.448 417 P HA 0.044 nan 4.420 nan 0.000 0.267 417 P C -0.860 176.478 177.300 0.063 0.000 1.205 417 P CA -0.208 62.920 63.100 0.048 0.000 0.765 417 P CB 0.354 32.082 31.700 0.047 0.000 0.828 418 Q N 1.216 121.055 119.800 0.066 0.000 2.317 418 Q HA 0.227 4.568 4.340 0.001 0.000 0.229 418 Q C 0.461 176.522 176.000 0.101 0.000 0.984 418 Q CA -0.107 55.747 55.803 0.084 0.000 0.911 418 Q CB 0.191 28.976 28.738 0.079 0.000 1.217 418 Q HN 0.477 nan 8.270 nan 0.000 0.501 419 T N -1.020 113.610 114.554 0.127 0.000 2.900 419 T HA 0.316 4.667 4.350 0.001 0.000 0.307 419 T C -2.203 172.591 174.700 0.157 0.000 1.065 419 T CA -1.361 60.833 62.100 0.158 0.000 1.105 419 T CB -0.149 68.827 68.868 0.180 0.000 0.979 419 T HN 0.237 nan 8.240 nan 0.000 0.544 420 P HA 0.161 nan 4.420 nan 0.000 0.267 420 P C 0.857 178.234 177.300 0.128 0.000 1.200 420 P CA -0.245 62.927 63.100 0.120 0.000 0.772 420 P CB 0.268 32.035 31.700 0.111 0.000 0.855 421 T N 0.115 114.679 114.554 0.016 0.000 2.896 421 T HA -0.049 4.302 4.350 0.001 0.000 0.263 421 T C 0.618 175.268 174.700 -0.084 0.000 1.050 421 T CA 1.012 63.125 62.100 0.023 0.000 1.140 421 T CB -0.106 68.763 68.868 0.003 0.000 0.877 421 T HN 0.635 nan 8.240 nan 0.000 0.457 422 Q N -0.725 118.846 119.800 -0.383 0.000 2.482 422 Q HA 0.468 4.809 4.340 0.001 0.000 0.286 422 Q C 0.240 175.716 176.000 -0.873 0.000 1.007 422 Q CA -0.794 54.673 55.803 -0.560 0.000 0.801 422 Q CB 1.099 29.709 28.738 -0.212 0.000 1.455 422 Q HN -0.019 nan 8.270 nan 0.000 0.398 423 L N 2.033 122.818 121.223 -0.730 0.000 2.079 423 L HA -0.200 4.141 4.340 0.001 0.000 0.210 423 L C 2.301 179.046 176.870 -0.208 0.000 1.081 423 L CA 3.056 57.661 54.840 -0.391 0.000 0.752 423 L CB -0.593 41.438 42.059 -0.048 0.000 0.896 423 L HN 0.927 nan 8.230 nan 0.000 0.433 424 S N -1.711 113.889 115.700 -0.167 0.000 2.399 424 S HA -0.193 4.278 4.470 0.001 0.000 0.231 424 S C 1.715 176.264 174.600 -0.085 0.000 1.022 424 S CA 1.213 59.354 58.200 -0.099 0.000 0.983 424 S CB -0.713 62.441 63.200 -0.077 0.000 0.803 424 S HN 0.524 nan 8.310 nan 0.000 0.480 425 D N 1.741 122.069 120.400 -0.121 0.000 2.117 425 D HA -0.062 4.579 4.640 0.001 0.000 0.198 425 D C 2.323 178.597 176.300 -0.044 0.000 0.982 425 D CA 1.651 55.603 54.000 -0.079 0.000 0.828 425 D CB -0.600 40.144 40.800 -0.093 0.000 0.967 425 D HN 0.546 nan 8.370 nan 0.000 0.464 426 V N -0.882 118.996 119.914 -0.060 0.000 2.667 426 V HA -0.109 4.011 4.120 0.001 0.000 0.252 426 V C 2.171 178.291 176.094 0.042 0.000 1.065 426 V CA 0.776 63.093 62.300 0.028 0.000 1.083 426 V CB -0.421 31.463 31.823 0.102 0.000 0.692 426 V HN 0.012 nan 8.190 nan 0.000 0.468 427 I N 1.217 121.795 120.570 0.013 0.000 2.233 427 I HA -0.107 4.064 4.170 0.001 0.000 0.243 427 I C 2.408 178.546 176.117 0.034 0.000 1.093 427 I CA 1.725 63.039 61.300 0.023 0.000 1.380 427 I CB -1.311 36.685 38.000 -0.007 0.000 1.067 427 I HN 0.315 nan 8.210 nan 0.000 0.413 428 D N 0.596 121.008 120.400 0.019 0.000 2.116 428 D HA -0.227 4.414 4.640 0.001 0.000 0.193 428 D C 2.292 178.625 176.300 0.054 0.000 0.998 428 D CA 1.252 55.270 54.000 0.030 0.000 0.836 428 D CB -0.197 40.610 40.800 0.012 0.000 0.951 428 D HN 0.077 nan 8.370 nan 0.000 0.449 429 R N 0.324 120.857 120.500 0.056 0.000 2.090 429 R HA -0.020 4.321 4.340 0.001 0.000 0.228 429 R C 2.087 178.459 176.300 0.121 0.000 1.110 429 R CA 0.526 56.672 56.100 0.077 0.000 0.973 429 R CB -0.834 29.507 30.300 0.068 0.000 0.869 429 R HN 0.183 nan 8.270 nan 0.000 0.440 430 L N 0.988 122.285 121.223 0.123 0.000 2.046 430 L HA -0.106 4.235 4.340 0.001 0.000 0.208 430 L C 2.077 179.086 176.870 0.233 0.000 1.077 430 L CA 2.153 57.087 54.840 0.156 0.000 0.747 430 L CB -0.662 41.440 42.059 0.073 0.000 0.896 430 L HN 0.391 nan 8.230 nan 0.000 0.432 431 E N -0.758 119.543 120.200 0.169 0.000 2.110 431 E HA -0.229 4.122 4.350 0.001 0.000 0.193 431 E C 2.021 178.771 176.600 0.249 0.000 0.988 431 E CA 1.143 57.659 56.400 0.193 0.000 0.804 431 E CB -0.138 29.627 29.700 0.108 0.000 0.745 431 E HN 0.635 nan 8.360 nan 0.000 0.458 432 A N 0.249 123.165 122.820 0.159 0.000 1.930 432 A HA -0.066 4.255 4.320 0.001 0.000 0.215 432 A C 0.671 178.286 177.584 0.052 0.000 1.176 432 A CA 1.199 53.292 52.037 0.095 0.000 0.632 432 A CB 0.206 19.247 19.000 0.067 0.000 0.819 432 A HN 0.293 nan 8.150 nan 0.000 0.445 433 D N -1.302 119.156 120.400 0.096 0.000 2.375 433 D HA 0.264 4.904 4.640 0.001 0.000 0.241 433 D C -0.277 176.107 176.300 0.139 0.000 1.361 433 D CA -0.447 53.582 54.000 0.048 0.000 0.995 433 D CB 0.347 41.208 40.800 0.102 0.000 1.312 433 D HN 0.434 nan 8.370 nan 0.000 0.576 434 H N 2.000 121.114 119.070 0.072 0.000 3.007 434 H HA 0.265 4.821 4.556 0.001 0.000 0.251 434 H C 0.140 175.357 175.328 -0.185 0.000 1.188 434 H CA -0.346 55.650 56.048 -0.087 0.000 1.017 434 H CB 0.358 30.055 29.762 -0.109 0.000 1.805 434 H HN 0.197 nan 8.280 nan 0.000 0.659 435 E N 1.669 121.801 120.200 -0.113 0.000 2.110 435 E HA -0.162 4.188 4.350 0.001 0.000 0.193 435 E C 1.732 178.304 176.600 -0.047 0.000 0.988 435 E CA 1.365 57.726 56.400 -0.065 0.000 0.804 435 E CB -0.458 29.230 29.700 -0.020 0.000 0.745 435 E HN 0.789 nan 8.360 nan 0.000 0.458 436 Y N -0.160 120.063 120.300 -0.129 0.000 2.333 436 Y HA -0.065 4.486 4.550 0.001 0.000 0.290 436 Y C 2.098 177.878 175.900 -0.198 0.000 1.144 436 Y CA 0.742 58.728 58.100 -0.190 0.000 1.228 436 Y CB -0.740 37.461 38.460 -0.431 0.000 0.985 436 Y HN -0.097 nan 8.280 nan 0.000 0.542 437 L N 0.693 121.411 121.223 -0.842 0.000 2.179 437 L HA -0.069 4.272 4.340 0.001 0.000 0.208 437 L C 2.426 179.143 176.870 -0.255 0.000 1.096 437 L CA 1.512 55.922 54.840 -0.717 0.000 0.779 437 L CB -0.652 40.748 42.059 -1.099 0.000 0.922 437 L HN 0.457 nan 8.230 nan 0.000 0.443 438 T N -3.865 110.587 114.554 -0.170 0.000 3.148 438 T HA 0.046 4.396 4.350 0.001 0.000 0.253 438 T C 0.713 175.344 174.700 -0.116 0.000 1.134 438 T CA -0.235 61.825 62.100 -0.066 0.000 1.051 438 T CB -0.239 68.636 68.868 0.011 0.000 0.959 438 T HN 0.060 nan 8.240 nan 0.000 0.525 439 E N 1.647 121.736 120.200 -0.186 0.000 2.465 439 E HA 0.277 4.627 4.350 0.001 0.000 0.260 439 E C 1.438 177.770 176.600 -0.448 0.000 0.980 439 E CA 0.921 57.175 56.400 -0.244 0.000 0.927 439 E CB 0.367 29.922 29.700 -0.240 0.000 0.934 439 E HN 0.565 nan 8.360 nan 0.000 0.459 440 G N 2.967 111.640 108.800 -0.211 0.000 2.175 440 G HA2 -0.342 3.619 3.960 0.001 0.000 0.265 440 G HA3 -0.342 3.619 3.960 0.001 0.000 0.265 440 G C 0.936 175.773 174.900 -0.104 0.000 0.979 440 G CA 0.652 45.693 45.100 -0.097 0.000 0.663 440 G HN 1.202 nan 8.290 nan 0.000 0.533 441 G N -2.254 106.473 108.800 -0.122 0.000 2.179 441 G HA2 -0.162 3.799 3.960 0.001 0.000 0.257 441 G HA3 -0.162 3.799 3.960 0.001 0.000 0.257 441 G C 1.338 176.159 174.900 -0.131 0.000 1.010 441 G CA 1.159 46.203 45.100 -0.095 0.000 0.736 441 G HN 1.466 nan 8.290 nan 0.000 0.513 442 V N -0.995 118.811 119.914 -0.179 0.000 2.233 442 V HA 0.062 4.183 4.120 0.001 0.000 0.247 442 V C 1.537 177.456 176.094 -0.292 0.000 1.050 442 V CA 1.912 64.088 62.300 -0.207 0.000 1.010 442 V CB -0.422 31.288 31.823 -0.188 0.000 0.637 442 V HN 0.361 nan 8.190 nan 0.000 0.444 443 F N 0.193 119.988 119.950 -0.258 0.000 2.422 443 F HA 0.489 5.017 4.527 0.001 0.000 0.333 443 F C 0.662 176.353 175.800 -0.182 0.000 1.095 443 F CA -0.579 57.270 58.000 -0.252 0.000 1.038 443 F CB 1.465 40.276 39.000 -0.314 0.000 1.156 443 F HN 0.023 nan 8.300 nan 0.000 0.483 444 T N -1.386 113.163 114.554 -0.009 0.000 2.952 444 T HA 0.287 4.638 4.350 0.001 0.000 0.286 444 T C 0.768 175.472 174.700 0.007 0.000 1.024 444 T CA -0.950 61.139 62.100 -0.017 0.000 1.029 444 T CB 1.309 70.138 68.868 -0.065 0.000 1.094 444 T HN 0.402 nan 8.240 nan 0.000 0.515 445 N N 1.518 120.224 118.700 0.010 0.000 2.166 445 N HA -0.136 4.605 4.740 0.001 0.000 0.186 445 N C 1.675 177.187 175.510 0.004 0.000 1.019 445 N CA 1.559 54.613 53.050 0.007 0.000 0.856 445 N CB -0.413 38.100 38.487 0.044 0.000 0.993 445 N HN 0.860 nan 8.380 nan 0.000 0.426 446 D N 0.843 121.244 120.400 0.001 0.000 2.178 446 D HA -0.163 4.478 4.640 0.001 0.000 0.201 446 D C 2.064 178.378 176.300 0.023 0.000 0.980 446 D CA 0.492 54.496 54.000 0.007 0.000 0.842 446 D CB -0.562 40.226 40.800 -0.019 0.000 0.948 446 D HN 0.272 nan 8.370 nan 0.000 0.472 447 L N 0.220 121.449 121.223 0.008 0.000 2.005 447 L HA -0.093 4.248 4.340 0.001 0.000 0.207 447 L C 2.754 179.737 176.870 0.188 0.000 1.072 447 L CA 0.872 55.749 54.840 0.063 0.000 0.744 447 L CB -0.185 41.872 42.059 -0.003 0.000 0.895 447 L HN -0.086 nan 8.230 nan 0.000 0.433 448 I N -0.096 120.559 120.570 0.141 0.000 2.179 448 I HA -0.328 3.843 4.170 0.001 0.000 0.242 448 I C 2.371 178.563 176.117 0.124 0.000 1.088 448 I CA 1.560 62.938 61.300 0.130 0.000 1.357 448 I CB -0.293 37.617 38.000 -0.149 0.000 1.051 448 I HN 0.334 nan 8.210 nan 0.000 0.409 449 E N 0.107 120.346 120.200 0.064 0.000 2.106 449 E HA -0.170 4.181 4.350 0.001 0.000 0.192 449 E C 2.121 178.804 176.600 0.137 0.000 0.984 449 E CA 1.742 58.189 56.400 0.079 0.000 0.806 449 E CB -0.063 29.670 29.700 0.054 0.000 0.750 449 E HN 0.451 nan 8.360 nan 0.000 0.458 450 T N 0.549 115.207 114.554 0.173 0.000 2.777 450 T HA -0.179 4.171 4.350 0.001 0.000 0.266 450 T C 1.237 176.112 174.700 0.291 0.000 1.040 450 T CA 0.837 63.064 62.100 0.212 0.000 1.141 450 T CB -0.297 68.691 68.868 0.201 0.000 0.868 450 T HN 0.407 nan 8.240 nan 0.000 0.444 451 W N 1.637 123.011 121.300 0.124 0.000 2.355 451 W HA -0.118 4.542 4.660 0.001 0.000 0.309 451 W C 1.888 178.466 176.519 0.099 0.000 1.206 451 W CA 0.980 58.400 57.345 0.125 0.000 1.284 451 W CB -0.513 29.022 29.460 0.125 0.000 1.145 451 W HN 0.230 nan 8.180 nan 0.000 0.502 452 I N 0.364 121.062 120.570 0.214 0.000 2.163 452 I HA -0.370 3.801 4.170 0.001 0.000 0.243 452 I C 2.843 178.978 176.117 0.030 0.000 1.085 452 I CA 1.847 63.194 61.300 0.079 0.000 1.347 452 I CB -0.940 37.110 38.000 0.083 0.000 1.044 452 I HN -0.116 nan 8.210 nan 0.000 0.408 453 S N 0.265 116.009 115.700 0.073 0.000 2.356 453 S HA -0.233 4.238 4.470 0.001 0.000 0.223 453 S C 2.042 176.662 174.600 0.033 0.000 1.032 453 S CA 1.451 59.684 58.200 0.055 0.000 1.005 453 S CB -0.438 62.814 63.200 0.087 0.000 0.867 453 S HN 0.421 nan 8.310 nan 0.000 0.449 454 F N 2.363 122.270 119.950 -0.072 0.000 2.095 454 F HA -0.084 4.444 4.527 0.001 0.000 0.298 454 F C 2.229 177.918 175.800 -0.185 0.000 1.104 454 F CA 1.623 59.552 58.000 -0.119 0.000 1.232 454 F CB -0.204 38.709 39.000 -0.145 0.000 0.987 454 F HN 0.082 nan 8.300 nan 0.000 0.475 455 K N 0.432 120.760 120.400 -0.120 0.000 2.057 455 K HA -0.120 4.201 4.320 0.001 0.000 0.206 455 K C 2.193 178.678 176.600 -0.192 0.000 1.050 455 K CA 1.370 57.535 56.287 -0.204 0.000 0.935 455 K CB -0.545 31.806 32.500 -0.248 0.000 0.715 455 K HN 0.347 nan 8.250 nan 0.000 0.439 456 R N 0.938 121.353 120.500 -0.141 0.000 2.070 456 R HA -0.107 4.234 4.340 0.001 0.000 0.233 456 R C 2.308 178.525 176.300 -0.139 0.000 1.137 456 R CA 1.529 57.563 56.100 -0.111 0.000 0.945 456 R CB -0.122 30.139 30.300 -0.066 0.000 0.845 456 R HN 0.319 nan 8.270 nan 0.000 0.430 457 E N -0.219 119.877 120.200 -0.173 0.000 2.112 457 E HA -0.031 4.320 4.350 0.001 0.000 0.190 457 E C 1.394 177.844 176.600 -0.250 0.000 0.979 457 E CA 0.670 56.964 56.400 -0.176 0.000 0.814 457 E CB 0.183 29.796 29.700 -0.146 0.000 0.762 457 E HN 0.317 nan 8.360 nan 0.000 0.460 458 N N -0.160 118.287 118.700 -0.422 0.000 2.322 458 N HA 0.030 4.771 4.740 0.001 0.000 0.181 458 N C 0.864 176.166 175.510 -0.347 0.000 1.088 458 N CA 0.504 53.254 53.050 -0.500 0.000 0.885 458 N CB 0.711 38.573 38.487 -1.042 0.000 1.013 458 N HN 0.211 nan 8.380 nan 0.000 0.472 459 E N 0.104 120.138 120.200 -0.277 0.000 2.905 459 E HA 0.246 4.597 4.350 0.001 0.000 0.197 459 E C 1.644 178.175 176.600 -0.115 0.000 1.016 459 E CA -0.204 56.094 56.400 -0.170 0.000 1.307 459 E CB 0.451 30.066 29.700 -0.141 0.000 1.255 459 E HN -0.024 nan 8.360 nan 0.000 0.527 460 I N 2.079 122.583 120.570 -0.110 0.000 2.142 460 I HA -0.253 3.918 4.170 0.001 0.000 0.240 460 I C 2.676 178.754 176.117 -0.065 0.000 1.078 460 I CA 1.499 62.753 61.300 -0.076 0.000 1.343 460 I CB -0.079 37.876 38.000 -0.075 0.000 1.046 460 I HN 0.168 nan 8.210 nan 0.000 0.405 461 E N 0.970 121.124 120.200 -0.076 0.000 2.047 461 E HA -0.182 4.169 4.350 0.001 0.000 0.191 461 E C -0.571 175.998 176.600 -0.052 0.000 0.987 461 E CA 1.190 57.555 56.400 -0.059 0.000 0.799 461 E CB -0.639 29.023 29.700 -0.063 0.000 0.752 461 E HN 0.271 nan 8.360 nan 0.000 0.449 462 P HA -0.159 nan 4.420 nan 0.000 0.216 462 P C 1.351 178.628 177.300 -0.039 0.000 1.150 462 P CA 1.080 64.146 63.100 -0.057 0.000 0.843 462 P CB 0.077 31.728 31.700 -0.080 0.000 0.787 463 V N -0.319 119.570 119.914 -0.041 0.000 2.379 463 V HA -0.169 3.951 4.120 0.001 0.000 0.245 463 V C 2.056 178.153 176.094 0.005 0.000 1.044 463 V CA 1.771 64.059 62.300 -0.021 0.000 1.036 463 V CB -1.227 30.582 31.823 -0.023 0.000 0.664 463 V HN 0.088 nan 8.190 nan 0.000 0.453 464 N N 0.781 119.478 118.700 -0.004 0.000 2.223 464 N HA -0.107 4.634 4.740 0.001 0.000 0.185 464 N C 1.714 177.233 175.510 0.015 0.000 1.016 464 N CA 1.819 54.873 53.050 0.006 0.000 0.863 464 N CB -0.334 38.147 38.487 -0.009 0.000 0.983 464 N HN 0.735 nan 8.380 nan 0.000 0.429 465 I N -2.509 118.066 120.570 0.009 0.000 3.226 465 I HA 0.122 4.293 4.170 0.001 0.000 0.277 465 I C 0.091 176.229 176.117 0.035 0.000 1.243 465 I CA 0.222 61.531 61.300 0.015 0.000 1.459 465 I CB 0.084 38.086 38.000 0.003 0.000 1.093 465 I HN -0.199 nan 8.210 nan 0.000 0.453 466 R N 2.844 123.369 120.500 0.042 0.000 2.202 466 R HA 0.413 4.753 4.340 0.001 0.000 0.334 466 R C -2.274 174.092 176.300 0.110 0.000 1.036 466 R CA -1.787 54.352 56.100 0.064 0.000 0.878 466 R CB 0.368 30.691 30.300 0.039 0.000 1.067 466 R HN 0.070 nan 8.270 nan 0.000 0.457 467 P HA -0.131 nan 4.420 nan 0.000 0.264 467 P C -0.753 176.726 177.300 0.298 0.000 1.183 467 P CA 0.385 63.633 63.100 0.247 0.000 0.763 467 P CB 0.413 32.324 31.700 0.352 0.000 0.807 468 H N 5.100 124.303 119.070 0.221 0.000 2.548 468 H HA 0.141 4.698 4.556 0.001 0.000 0.331 468 H C -1.579 173.942 175.328 0.322 0.000 1.093 468 H CA -2.007 54.166 56.048 0.208 0.000 1.367 468 H CB 1.065 30.922 29.762 0.159 0.000 1.455 468 H HN 0.235 nan 8.280 nan 0.000 0.519 469 P HA -0.202 nan 4.420 nan 0.000 0.217 469 P C 1.050 178.649 177.300 0.499 0.000 1.151 469 P CA 1.243 64.547 63.100 0.340 0.000 0.849 469 P CB -0.123 31.655 31.700 0.130 0.000 0.787 470 Y N 0.658 121.268 120.300 0.517 0.000 2.421 470 Y HA -0.112 4.439 4.550 0.001 0.000 0.292 470 Y C 1.969 177.906 175.900 0.062 0.000 1.136 470 Y CA 1.168 59.380 58.100 0.186 0.000 1.255 470 Y CB -0.499 37.946 38.460 -0.025 0.000 0.991 470 Y HN 0.054 nan 8.280 nan 0.000 0.552 471 E N -1.131 119.180 120.200 0.185 0.000 2.204 471 E HA -0.184 4.166 4.350 0.001 0.000 0.194 471 E C 1.604 178.140 176.600 -0.106 0.000 0.989 471 E CA 1.115 57.532 56.400 0.030 0.000 0.824 471 E CB -0.264 29.540 29.700 0.174 0.000 0.756 471 E HN 0.484 nan 8.360 nan 0.000 0.477 472 F N 0.549 120.517 119.950 0.030 0.000 2.234 472 F HA -0.008 4.519 4.527 0.001 0.000 0.296 472 F C 2.419 178.178 175.800 -0.068 0.000 1.089 472 F CA 0.657 58.687 58.000 0.050 0.000 1.343 472 F CB -0.254 38.785 39.000 0.066 0.000 1.040 472 F HN 0.000 nan 8.300 nan 0.000 0.498 473 A N 0.414 123.198 122.820 -0.059 0.000 1.908 473 A HA -0.151 4.170 4.320 0.001 0.000 0.218 473 A C 2.174 179.513 177.584 -0.408 0.000 1.181 473 A CA 1.572 53.441 52.037 -0.279 0.000 0.627 473 A CB -1.048 17.640 19.000 -0.520 0.000 0.818 473 A HN 0.394 nan 8.150 nan 0.000 0.445 474 L N -2.860 117.973 121.223 -0.651 0.000 2.131 474 L HA -0.087 4.253 4.340 0.001 0.000 0.206 474 L C 1.806 178.355 176.870 -0.534 0.000 1.087 474 L CA 1.075 55.446 54.840 -0.780 0.000 0.767 474 L CB -0.202 41.041 42.059 -1.361 0.000 0.917 474 L HN 0.529 nan 8.230 nan 0.000 0.441 475 Y N -4.067 116.167 120.300 -0.110 0.000 2.527 475 Y HA 0.074 4.624 4.550 0.001 0.000 0.247 475 Y C 1.748 177.602 175.900 -0.077 0.000 1.138 475 Y CA -1.263 56.773 58.100 -0.107 0.000 1.228 475 Y CB -0.604 37.758 38.460 -0.165 0.000 1.252 475 Y HN -0.031 nan 8.280 nan 0.000 0.531 476 Y N 2.686 122.986 120.300 -0.000 0.000 2.193 476 Y HA -0.247 4.304 4.550 0.001 0.000 0.285 476 Y C 1.571 177.486 175.900 0.025 0.000 1.166 476 Y CA 2.178 60.292 58.100 0.022 0.000 1.181 476 Y CB 0.022 38.537 38.460 0.092 0.000 0.976 476 Y HN 0.234 nan 8.280 nan 0.000 0.520 477 D N 0.104 120.561 120.400 0.096 0.000 2.395 477 D HA 0.050 4.691 4.640 0.001 0.000 0.226 477 D C 0.604 176.901 176.300 -0.006 0.000 1.146 477 D CA 0.417 54.437 54.000 0.034 0.000 0.830 477 D CB -1.363 39.501 40.800 0.105 0.000 0.958 477 D HN 0.220 nan 8.370 nan 0.000 0.501 478 V N 0.000 119.903 119.914 -0.019 0.000 2.409 478 V HA 0.000 4.121 4.120 0.001 0.000 0.244 478 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 478 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556