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 1adc_1_A DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.555 174.600 -0.074 0.000 1.055 1 S CA 0.000 58.224 58.200 0.040 0.000 1.107 1 S CB 0.000 63.213 63.200 0.022 0.000 0.593 2 T N 1.576 116.126 114.554 -0.006 0.000 2.856 2 T HA -0.132 nan 4.350 nan 0.000 0.327 2 T C -0.760 173.900 174.700 -0.066 0.000 1.061 2 T CA 1.524 63.609 62.100 -0.024 0.000 1.131 2 T CB 0.171 69.036 68.868 -0.005 0.000 1.083 2 T HN 0.249 8.508 8.240 0.033 0.000 0.518 3 A N 3.623 126.406 122.820 -0.062 0.000 2.526 3 A HA 0.185 nan 4.320 nan 0.000 0.306 3 A C -1.922 175.629 177.584 -0.054 0.000 1.088 3 A CA 0.339 52.334 52.037 -0.070 0.000 0.600 3 A CB 1.217 20.151 19.000 -0.111 0.000 1.423 3 A HN 0.247 8.378 8.150 -0.043 -0.007 0.582 4 G N -3.177 105.589 108.800 -0.056 0.000 4.802 4 G HA2 -0.002 nan 3.960 nan 0.000 0.238 4 G HA3 -0.002 nan 3.960 nan 0.000 0.238 4 G C -1.303 173.567 174.900 -0.050 0.000 0.974 4 G CA 0.492 45.564 45.100 -0.046 0.000 0.798 4 G HN 0.218 8.470 8.290 -0.063 0.000 0.301 5 K N -1.874 118.488 120.400 -0.064 0.000 2.580 5 K HA 0.194 nan 4.320 nan 0.000 0.288 5 K C -0.757 175.794 176.600 -0.082 0.000 1.041 5 K CA -1.097 55.153 56.287 -0.063 0.000 0.855 5 K CB 2.202 34.673 32.500 -0.048 0.000 1.543 5 K HN -0.670 7.534 8.250 -0.077 0.000 0.388 6 V N 1.071 120.941 119.914 -0.073 0.000 2.902 6 V HA -0.120 nan 4.120 nan 0.000 0.297 6 V C -0.415 175.617 176.094 -0.103 0.000 1.230 6 V CA 1.421 63.672 62.300 -0.081 0.000 1.344 6 V CB -0.477 31.314 31.823 -0.053 0.000 0.889 6 V HN 0.191 8.346 8.190 -0.058 0.000 0.515 7 I N 5.727 126.219 120.570 -0.129 0.000 2.533 7 I HA 0.219 nan 4.170 nan 0.000 0.290 7 I C -1.524 174.536 176.117 -0.096 0.000 1.056 7 I CA -1.030 60.169 61.300 -0.168 0.000 1.057 7 I CB 3.408 41.196 38.000 -0.353 0.000 1.240 7 I HN -0.216 7.920 8.210 -0.123 0.000 0.423 8 K N 6.367 126.735 120.400 -0.054 0.000 2.172 8 K HA 0.596 nan 4.320 nan 0.000 0.276 8 K C -1.270 175.352 176.600 0.036 0.000 1.013 8 K CA -0.516 55.775 56.287 0.006 0.000 0.913 8 K CB 0.660 33.171 32.500 0.017 0.000 1.055 8 K HN 0.086 8.297 8.250 -0.065 0.000 0.461 9 C N 0.859 120.210 119.300 0.085 0.000 3.276 9 C HA 0.510 nan 4.460 nan 0.000 0.370 9 C C -2.289 172.786 174.990 0.142 0.000 1.624 9 C CA -2.149 56.946 59.018 0.129 0.000 1.179 9 C CB 3.146 31.007 27.740 0.201 0.000 1.909 9 C HN 0.809 9.060 8.230 0.093 0.035 0.434 10 K N -0.831 119.661 120.400 0.152 0.000 2.098 10 K HA 0.598 nan 4.320 nan 0.000 0.261 10 K C -1.866 174.852 176.600 0.197 0.000 0.987 10 K CA -0.408 55.992 56.287 0.188 0.000 0.916 10 K CB 1.553 34.188 32.500 0.224 0.000 1.039 10 K HN 0.305 8.643 8.250 0.147 0.000 0.455 11 A N 1.927 124.925 122.820 0.297 0.000 2.599 11 A HA 0.570 nan 4.320 nan 0.000 0.294 11 A C -2.615 175.176 177.584 0.344 0.000 1.055 11 A CA -0.239 52.000 52.037 0.337 0.000 0.683 11 A CB 4.032 23.115 19.000 0.139 0.000 1.278 11 A HN 0.614 8.848 8.150 0.281 0.084 0.412 12 A N 1.433 124.479 122.820 0.377 0.000 2.391 12 A HA 0.646 nan 4.320 nan 0.000 0.316 12 A C -1.453 176.189 177.584 0.097 0.000 1.381 12 A CA -1.159 50.960 52.037 0.136 0.000 0.998 12 A CB 0.138 19.092 19.000 -0.076 0.000 1.147 12 A HN 0.230 8.689 8.150 0.515 0.000 0.545 13 V N 4.220 124.096 119.914 -0.064 0.000 2.461 13 V HA 0.253 nan 4.120 nan 0.000 0.275 13 V C -0.751 175.102 176.094 -0.401 0.000 1.047 13 V CA -0.092 61.975 62.300 -0.387 0.000 0.955 13 V CB 0.576 31.913 31.823 -0.810 0.000 0.988 13 V HN 0.857 8.941 8.190 -0.031 0.087 0.471 14 L N 5.565 126.553 121.223 -0.391 0.000 2.283 14 L HA 0.390 nan 4.340 nan 0.000 0.281 14 L C -0.355 176.330 176.870 -0.308 0.000 1.033 14 L CA -0.791 53.827 54.840 -0.370 0.000 0.848 14 L CB 0.750 42.602 42.059 -0.345 0.000 1.226 14 L HN 0.451 8.464 8.230 -0.361 0.000 0.429 15 W N 4.386 125.625 121.300 -0.100 0.000 2.481 15 W HA -0.209 nan 4.660 nan 0.000 0.293 15 W C -0.685 175.797 176.519 -0.062 0.000 1.201 15 W CA 0.915 58.224 57.345 -0.059 0.000 1.328 15 W CB 0.761 30.194 29.460 -0.046 0.000 1.112 15 W HN 0.586 8.731 8.180 -0.057 0.000 0.546 16 E N -4.786 115.488 120.200 0.124 0.000 2.429 16 E HA 0.227 nan 4.350 nan 0.000 0.276 16 E C -1.917 174.657 176.600 -0.042 0.000 0.953 16 E CA -1.963 54.465 56.400 0.046 0.000 0.787 16 E CB 2.536 32.267 29.700 0.053 0.000 1.307 16 E HN -0.730 7.677 8.360 0.079 0.000 0.458 17 E N -1.291 118.886 120.200 -0.039 0.000 2.373 17 E HA -0.149 nan 4.350 nan 0.000 0.263 17 E C 0.074 176.636 176.600 -0.063 0.000 1.073 17 E CA -0.065 56.296 56.400 -0.065 0.000 0.894 17 E CB 0.254 29.934 29.700 -0.033 0.000 1.008 17 E HN 0.034 8.388 8.360 -0.011 0.000 0.420 18 K N -1.919 118.434 120.400 -0.079 0.000 3.150 18 K HA -0.379 nan 4.320 nan 0.000 0.267 18 K C -1.106 175.451 176.600 -0.071 0.000 1.028 18 K CA 1.202 57.454 56.287 -0.059 0.000 0.753 18 K CB -1.609 30.876 32.500 -0.026 0.000 1.288 18 K HN 0.534 8.618 8.250 -0.096 0.109 0.473 19 K N -1.951 118.374 120.400 -0.124 0.000 2.532 19 K HA 0.399 nan 4.320 nan 0.000 0.265 19 K C -2.902 173.574 176.600 -0.206 0.000 0.948 19 K CA -2.860 53.358 56.287 -0.116 0.000 0.842 19 K CB 2.285 34.738 32.500 -0.078 0.000 1.392 19 K HN -0.325 7.816 8.250 -0.182 0.000 0.436 20 P HA 0.071 nan 4.420 nan 0.000 0.272 20 P C -1.432 175.747 177.300 -0.202 0.000 1.240 20 P CA -0.384 62.630 63.100 -0.143 0.000 0.791 20 P CB 0.595 32.272 31.700 -0.038 0.000 0.978 21 F N -1.374 118.463 119.950 -0.188 0.000 2.410 21 F HA -0.038 nan 4.527 nan 0.000 0.334 21 F C 0.080 175.807 175.800 -0.121 0.000 1.134 21 F CA 0.608 58.488 58.000 -0.200 0.000 1.227 21 F CB 1.050 39.868 39.000 -0.304 0.000 1.194 21 F HN -0.228 8.346 8.300 0.154 -0.181 0.571 22 S N 1.606 117.368 115.700 0.104 0.000 2.498 22 S HA 0.250 nan 4.470 nan 0.000 0.324 22 S C -1.467 173.179 174.600 0.076 0.000 1.071 22 S CA -2.126 56.142 58.200 0.113 0.000 1.113 22 S CB 0.496 63.848 63.200 0.253 0.000 0.976 22 S HN 0.539 8.892 8.310 0.071 0.000 0.462 23 I N 8.015 128.609 120.570 0.041 0.000 2.363 23 I HA 0.234 nan 4.170 nan 0.000 0.292 23 I C -0.452 175.732 176.117 0.112 0.000 1.075 23 I CA 0.042 61.369 61.300 0.044 0.000 1.333 23 I CB -1.682 36.299 38.000 -0.032 0.000 1.415 23 I HN 0.639 8.863 8.210 0.024 0.000 0.502 24 E N 6.045 126.332 120.200 0.146 0.000 2.408 24 E HA 0.380 nan 4.350 nan 0.000 0.266 24 E C -2.093 174.598 176.600 0.152 0.000 1.025 24 E CA -1.986 54.504 56.400 0.150 0.000 0.881 24 E CB 2.242 32.048 29.700 0.177 0.000 1.660 24 E HN 0.830 9.176 8.360 0.153 0.105 0.458 25 E N -0.647 119.637 120.200 0.140 0.000 2.283 25 E HA 0.466 nan 4.350 nan 0.000 0.278 25 E C -1.025 175.654 176.600 0.131 0.000 1.027 25 E CA -0.127 56.350 56.400 0.128 0.000 0.843 25 E CB 0.763 30.526 29.700 0.105 0.000 1.062 25 E HN 0.140 8.585 8.360 0.140 0.000 0.401 26 V N -2.018 117.976 119.914 0.133 0.000 2.925 26 V HA 0.723 nan 4.120 nan 0.000 0.311 26 V C -1.586 174.574 176.094 0.110 0.000 1.104 26 V CA -2.760 59.628 62.300 0.147 0.000 0.954 26 V CB 3.718 35.674 31.823 0.222 0.000 1.022 26 V HN 0.596 8.752 8.190 0.131 0.114 0.427 27 E N 3.398 123.647 120.200 0.082 0.000 2.046 27 E HA 0.326 nan 4.350 nan 0.000 0.279 27 E C -0.399 176.185 176.600 -0.027 0.000 0.989 27 E CA -1.088 55.325 56.400 0.022 0.000 0.798 27 E CB 0.793 30.503 29.700 0.015 0.000 1.086 27 E HN -0.238 8.183 8.360 0.102 0.000 0.399 28 V N 7.406 127.281 119.914 -0.066 0.000 2.339 28 V HA 0.080 nan 4.120 nan 0.000 0.261 28 V C -1.175 174.818 176.094 -0.168 0.000 1.058 28 V CA -1.027 61.170 62.300 -0.171 0.000 0.897 28 V CB -0.657 31.101 31.823 -0.109 0.000 1.052 28 V HN 1.033 9.092 8.190 -0.046 0.103 0.480 29 A N 9.131 131.847 122.820 -0.172 0.000 2.507 29 A HA 0.138 nan 4.320 nan 0.000 0.235 29 A C -1.942 175.574 177.584 -0.112 0.000 1.070 29 A CA -1.410 50.556 52.037 -0.118 0.000 0.768 29 A CB -0.452 18.492 19.000 -0.094 0.000 1.011 29 A HN -0.210 7.810 8.150 -0.217 0.000 0.502 30 P HA 0.157 nan 4.420 nan 0.000 0.272 30 P C -1.856 175.411 177.300 -0.055 0.000 1.223 30 P CA -1.523 61.535 63.100 -0.071 0.000 0.784 30 P CB -0.933 30.730 31.700 -0.061 0.000 0.923 31 P HA -0.042 nan 4.420 nan 0.000 0.266 31 P C -0.759 176.525 177.300 -0.026 0.000 1.215 31 P CA -0.540 62.545 63.100 -0.024 0.000 0.763 31 P CB -0.050 31.644 31.700 -0.010 0.000 0.806 32 K N 4.558 124.945 120.400 -0.021 0.000 2.284 32 K HA -0.120 nan 4.320 nan 0.000 0.243 32 K C 0.243 176.823 176.600 -0.034 0.000 1.075 32 K CA -0.178 56.094 56.287 -0.026 0.000 0.868 32 K CB 0.676 33.166 32.500 -0.017 0.000 1.157 32 K HN -0.470 7.981 8.250 -0.015 -0.210 0.512 33 A N -2.284 120.504 122.820 -0.052 0.000 2.555 33 A HA -0.162 nan 4.320 nan 0.000 0.233 33 A C 0.185 177.750 177.584 -0.031 0.000 1.060 33 A CA 0.951 52.916 52.037 -0.120 0.000 0.759 33 A CB -0.234 18.681 19.000 -0.141 0.000 0.995 33 A HN 0.230 8.354 8.150 -0.043 0.000 0.506 34 H N -1.296 117.768 119.070 -0.010 0.000 2.781 34 H HA -0.480 nan 4.556 nan 0.000 0.301 34 H C -0.752 174.571 175.328 -0.008 0.000 1.124 34 H CA 1.977 58.020 56.048 -0.009 0.000 1.154 34 H CB -2.049 27.707 29.762 -0.011 0.000 1.355 34 H HN 0.547 8.501 8.280 -0.349 0.116 0.385 35 E N -3.897 116.351 120.200 0.079 0.000 2.299 35 E HA 0.864 nan 4.350 nan 0.000 0.260 35 E C -1.902 174.720 176.600 0.037 0.000 0.944 35 E CA -1.517 54.914 56.400 0.051 0.000 0.815 35 E CB 4.419 34.137 29.700 0.030 0.000 1.252 35 E HN -0.639 7.702 8.360 0.038 0.042 0.418 36 V N -1.055 118.880 119.914 0.035 0.000 2.808 36 V HA 0.534 nan 4.120 nan 0.000 0.308 36 V C -1.889 174.226 176.094 0.034 0.000 1.099 36 V CA -1.103 61.215 62.300 0.031 0.000 0.920 36 V CB 3.166 35.010 31.823 0.035 0.000 1.014 36 V HN 0.592 8.806 8.190 0.040 0.000 0.425 37 R N 4.326 124.845 120.500 0.032 0.000 2.474 37 R HA 0.922 nan 4.340 nan 0.000 0.295 37 R C -1.368 174.979 176.300 0.078 0.000 0.980 37 R CA -1.321 54.809 56.100 0.050 0.000 0.934 37 R CB 2.583 32.902 30.300 0.031 0.000 1.101 37 R HN 0.474 8.760 8.270 0.027 0.000 0.469 38 I N 3.417 124.043 120.570 0.094 0.000 2.769 38 I HA 0.449 nan 4.170 nan 0.000 0.298 38 I C -2.203 173.883 176.117 -0.052 0.000 1.128 38 I CA -1.167 60.154 61.300 0.034 0.000 1.031 38 I CB 4.409 42.404 38.000 -0.008 0.000 1.235 38 I HN 0.915 9.093 8.210 0.110 0.098 0.423 39 K N 4.759 125.052 120.400 -0.178 0.000 2.253 39 K HA 0.344 nan 4.320 nan 0.000 0.277 39 K C -0.967 175.359 176.600 -0.457 0.000 1.053 39 K CA -1.740 54.224 56.287 -0.539 0.000 0.892 39 K CB 1.586 33.835 32.500 -0.419 0.000 1.102 39 K HN 0.824 8.912 8.250 -0.094 0.106 0.469 40 M N 6.944 126.141 119.600 -0.672 0.000 2.220 40 M HA -0.028 nan 4.480 nan 0.000 0.343 40 M C -0.020 175.912 176.300 -0.613 0.000 1.470 40 M CA 0.118 54.970 55.300 -0.747 0.000 1.161 40 M CB -1.645 30.156 32.600 -1.332 0.000 1.737 40 M HN 0.315 8.099 8.290 -0.843 0.000 0.464 41 V N 5.553 125.337 119.914 -0.217 0.000 2.331 41 V HA -0.030 nan 4.120 nan 0.000 0.242 41 V C -1.296 174.931 176.094 0.222 0.000 1.034 41 V CA 2.511 64.809 62.300 -0.003 0.000 1.027 41 V CB 0.654 32.475 31.823 -0.003 0.000 0.667 41 V HN 0.279 8.358 8.190 -0.185 0.000 0.457 42 A N -5.966 116.980 122.820 0.211 0.000 2.587 42 A HA 0.776 nan 4.320 nan 0.000 0.293 42 A C -2.977 174.776 177.584 0.280 0.000 1.087 42 A CA -0.820 51.380 52.037 0.271 0.000 0.692 42 A CB 3.046 22.120 19.000 0.124 0.000 1.291 42 A HN -0.495 7.715 8.150 0.101 0.000 0.407 43 T N -3.334 111.388 114.554 0.279 0.000 2.952 43 T HA 0.754 nan 4.350 nan 0.000 0.305 43 T C -1.227 173.564 174.700 0.153 0.000 1.064 43 T CA -1.584 60.680 62.100 0.273 0.000 1.008 43 T CB 3.163 72.341 68.868 0.517 0.000 1.078 43 T HN 0.467 8.828 8.240 0.202 0.000 0.459 44 G N 1.656 110.519 108.800 0.105 0.000 2.389 44 G HA2 0.807 nan 3.960 nan 0.000 0.317 44 G HA3 0.807 nan 3.960 nan 0.000 0.317 44 G C -1.145 173.773 174.900 0.031 0.000 1.137 44 G CA -2.137 42.978 45.100 0.025 0.000 0.870 44 G HN 0.767 8.993 8.290 0.090 0.119 0.496 45 I N 2.761 123.297 120.570 -0.058 0.000 2.281 45 I HA -0.041 nan 4.170 nan 0.000 0.293 45 I C -1.366 174.651 176.117 -0.167 0.000 1.085 45 I CA -0.395 60.823 61.300 -0.138 0.000 1.257 45 I CB -0.419 37.309 38.000 -0.454 0.000 1.430 45 I HN -0.425 7.728 8.210 -0.094 0.000 0.489 46 C N 7.847 127.081 119.300 -0.110 0.000 2.398 46 C HA 0.160 nan 4.460 nan 0.000 0.364 46 C C 1.500 176.467 174.990 -0.038 0.000 1.219 46 C CA -1.913 57.072 59.018 -0.056 0.000 2.312 46 C CB 2.158 29.887 27.740 -0.019 0.000 2.428 46 C HN -0.009 8.382 8.230 -0.077 -0.207 0.564 47 R N 4.968 125.429 120.500 -0.065 0.000 2.159 47 R HA -0.290 nan 4.340 nan 0.000 0.237 47 R C 1.506 177.642 176.300 -0.272 0.000 1.131 47 R CA 3.071 59.069 56.100 -0.170 0.000 0.982 47 R CB -0.073 30.118 30.300 -0.183 0.000 0.868 47 R HN 0.747 8.992 8.270 -0.042 0.000 0.453 48 S N -0.654 114.995 115.700 -0.084 0.000 2.370 48 S HA -0.354 nan 4.470 nan 0.000 0.226 48 S C 1.808 176.508 174.600 0.167 0.000 1.033 48 S CA 3.792 62.010 58.200 0.031 0.000 1.011 48 S CB -0.710 62.563 63.200 0.121 0.000 0.852 48 S HN -0.562 7.738 8.310 0.019 0.021 0.457 49 D N 0.335 120.897 120.400 0.270 0.000 2.149 49 D HA -0.249 nan 4.640 nan 0.000 0.198 49 D C 1.848 178.369 176.300 0.368 0.000 0.990 49 D CA 3.443 57.616 54.000 0.289 0.000 0.839 49 D CB -0.481 40.598 40.800 0.466 0.000 0.948 49 D HN -0.555 7.991 8.370 0.294 0.000 0.460 50 D N -2.506 118.118 120.400 0.373 0.000 2.224 50 D HA -0.197 nan 4.640 nan 0.000 0.205 50 D C 2.049 178.487 176.300 0.230 0.000 0.965 50 D CA 2.643 56.871 54.000 0.380 0.000 0.852 50 D CB 0.199 41.145 40.800 0.243 0.000 0.947 50 D HN -0.549 7.861 8.370 0.225 0.096 0.494 51 H N 0.076 119.244 119.070 0.164 0.000 2.321 51 H HA -0.240 nan 4.556 nan 0.000 0.300 51 H C 2.501 177.872 175.328 0.070 0.000 1.087 51 H CA 2.221 58.333 56.048 0.107 0.000 1.319 51 H CB -0.304 29.523 29.762 0.109 0.000 1.379 51 H HN -0.616 7.524 8.280 0.027 0.156 0.501 52 V N -1.313 118.711 119.914 0.183 0.000 2.233 52 V HA -0.451 nan 4.120 nan 0.000 0.252 52 V C 2.743 178.835 176.094 -0.003 0.000 1.063 52 V CA 4.415 66.737 62.300 0.037 0.000 1.032 52 V CB -0.981 30.748 31.823 -0.157 0.000 0.645 52 V HN -0.246 8.063 8.190 0.199 0.000 0.446 53 V N -3.950 115.950 119.914 -0.024 0.000 2.490 53 V HA -0.360 nan 4.120 nan 0.000 0.250 53 V C 1.362 177.438 176.094 -0.030 0.000 1.061 53 V CA 3.712 65.948 62.300 -0.106 0.000 1.064 53 V CB -0.975 30.708 31.823 -0.233 0.000 0.670 53 V HN -0.555 7.654 8.190 0.032 0.000 0.461 54 S N 0.457 116.187 115.700 0.050 0.000 2.461 54 S HA -0.056 nan 4.470 nan 0.000 0.228 54 S C 1.487 176.109 174.600 0.037 0.000 1.005 54 S CA 2.154 60.388 58.200 0.057 0.000 0.942 54 S CB 0.634 63.901 63.200 0.113 0.000 0.776 54 S HN -0.040 8.244 8.310 0.104 0.088 0.514 55 G N -0.736 108.087 108.800 0.039 0.000 2.159 55 G HA2 -0.320 nan 3.960 nan 0.000 0.227 55 G HA3 -0.320 nan 3.960 nan 0.000 0.227 55 G C 0.175 175.087 174.900 0.020 0.000 0.986 55 G CA 0.437 45.552 45.100 0.024 0.000 0.651 55 G HN -0.047 8.112 8.290 0.052 0.162 0.523 56 T N 1.155 115.723 114.554 0.023 0.000 2.857 56 T HA -0.109 nan 4.350 nan 0.000 0.266 56 T C -0.677 173.999 174.700 -0.039 0.000 1.048 56 T CA 2.898 64.961 62.100 -0.062 0.000 1.139 56 T CB 0.422 69.147 68.868 -0.239 0.000 0.874 56 T HN -0.392 7.836 8.240 0.068 0.052 0.455 57 L N 1.431 122.691 121.223 0.062 0.000 2.313 57 L HA 0.404 nan 4.340 nan 0.000 0.273 57 L C -1.591 175.344 176.870 0.108 0.000 1.028 57 L CA -1.219 53.687 54.840 0.110 0.000 0.871 57 L CB 0.463 42.662 42.059 0.233 0.000 1.242 57 L HN -0.731 7.467 8.230 0.113 0.099 0.434 58 V N 7.796 127.752 119.914 0.070 0.000 2.446 58 V HA -0.011 nan 4.120 nan 0.000 0.276 58 V C -0.451 175.691 176.094 0.080 0.000 1.030 58 V CA 0.937 63.272 62.300 0.059 0.000 1.033 58 V CB -0.388 31.455 31.823 0.033 0.000 0.993 58 V HN 0.134 8.354 8.190 0.051 0.000 0.477 59 T N 8.097 122.700 114.554 0.081 0.000 2.916 59 T HA 0.494 nan 4.350 nan 0.000 0.305 59 T C -2.750 171.970 174.700 0.033 0.000 1.119 59 T CA -2.913 59.244 62.100 0.096 0.000 1.008 59 T CB 1.760 70.770 68.868 0.237 0.000 1.129 59 T HN 0.100 8.377 8.240 0.061 0.000 0.480 60 P HA 0.113 nan 4.420 nan 0.000 0.271 60 P C -1.296 176.064 177.300 0.100 0.000 1.220 60 P CA -0.339 62.698 63.100 -0.104 0.000 0.768 60 P CB 0.581 31.975 31.700 -0.510 0.000 0.848 61 L N 2.735 124.062 121.223 0.173 0.000 2.344 61 L HA 0.439 nan 4.340 nan 0.000 0.272 61 L C -1.313 175.729 176.870 0.287 0.000 1.035 61 L CA -2.796 52.166 54.840 0.203 0.000 0.807 61 L CB 0.313 42.435 42.059 0.105 0.000 1.237 61 L HN 0.066 8.369 8.230 0.122 0.000 0.442 62 P HA 0.365 nan 4.420 nan 0.000 0.277 62 P C -2.653 174.642 177.300 -0.008 0.000 1.240 62 P CA -0.615 62.515 63.100 0.050 0.000 0.798 62 P CB 1.083 32.803 31.700 0.033 0.000 0.979 63 V N 0.733 120.579 119.914 -0.112 0.000 3.012 63 V HA 0.651 nan 4.120 nan 0.000 0.307 63 V C -1.847 174.128 176.094 -0.198 0.000 1.166 63 V CA -1.827 60.416 62.300 -0.094 0.000 0.974 63 V CB 4.310 36.140 31.823 0.012 0.000 1.040 63 V HN 0.245 8.323 8.190 -0.186 0.000 0.428 64 I N 7.821 128.236 120.570 -0.257 0.000 2.306 64 I HA 0.264 nan 4.170 nan 0.000 0.288 64 I C -1.591 174.430 176.117 -0.160 0.000 1.036 64 I CA -0.660 60.477 61.300 -0.271 0.000 1.221 64 I CB 0.189 37.813 38.000 -0.628 0.000 1.385 64 I HN -0.241 7.810 8.210 -0.264 0.000 0.472 65 A N 5.429 128.181 122.820 -0.112 0.000 2.523 65 A HA 0.207 nan 4.320 nan 0.000 0.251 65 A C -0.581 176.703 177.584 -0.501 0.000 1.706 65 A CA 0.128 51.977 52.037 -0.314 0.000 0.847 65 A CB 0.898 19.751 19.000 -0.245 0.000 1.571 65 A HN 0.191 8.354 8.150 0.021 0.000 0.625 66 G N -3.131 105.060 108.800 -1.015 0.000 2.862 66 G HA2 -0.236 nan 3.960 nan 0.000 0.686 66 G HA3 -0.236 nan 3.960 nan 0.000 0.686 66 G C -0.814 173.989 174.900 -0.162 0.000 1.134 66 G CA 0.235 44.534 45.100 -1.335 0.000 0.791 66 G HN -0.410 7.538 8.290 -0.804 -0.140 0.592 67 H N -2.143 116.827 119.070 -0.167 0.000 3.840 67 H HA 0.109 nan 4.556 nan 0.000 0.253 67 H C -1.385 173.927 175.328 -0.026 0.000 1.059 67 H CA -0.078 55.937 56.048 -0.056 0.000 1.141 67 H CB 1.733 31.408 29.762 -0.145 0.000 1.385 67 H HN 0.330 8.307 8.280 -0.505 0.000 0.744 68 E N 0.841 120.781 120.200 -0.433 0.000 2.081 68 E HA 0.244 nan 4.350 nan 0.000 0.276 68 E C -2.131 174.469 176.600 -0.000 0.000 0.950 68 E CA -1.180 55.130 56.400 -0.150 0.000 0.776 68 E CB 0.187 29.781 29.700 -0.177 0.000 1.094 68 E HN -0.263 7.688 8.360 -0.681 0.000 0.402 69 A N 3.626 126.480 122.820 0.057 0.000 2.566 69 A HA 0.727 nan 4.320 nan 0.000 0.290 69 A C -2.252 175.368 177.584 0.059 0.000 1.071 69 A CA 0.001 52.088 52.037 0.082 0.000 0.658 69 A CB 3.078 22.143 19.000 0.109 0.000 1.285 69 A HN -0.129 8.063 8.150 0.070 0.000 0.427 70 A N -2.361 120.485 122.820 0.043 0.000 2.498 70 A HA 0.917 nan 4.320 nan 0.000 0.298 70 A C -2.201 175.373 177.584 -0.018 0.000 1.075 70 A CA -1.588 50.461 52.037 0.019 0.000 0.714 70 A CB 2.898 21.911 19.000 0.022 0.000 1.299 70 A HN 0.456 8.640 8.150 0.057 0.000 0.407 71 G N -1.441 107.338 108.800 -0.036 0.000 2.706 71 G HA2 0.904 nan 3.960 nan 0.000 0.307 71 G HA3 0.904 nan 3.960 nan 0.000 0.307 71 G C -2.973 171.893 174.900 -0.057 0.000 1.307 71 G CA -0.251 44.798 45.100 -0.086 0.000 0.790 71 G HN 0.529 8.809 8.290 -0.017 0.000 0.503 72 I N -2.005 118.520 120.570 -0.074 0.000 2.689 72 I HA 0.626 nan 4.170 nan 0.000 0.299 72 I C -0.957 175.145 176.117 -0.025 0.000 1.059 72 I CA -1.687 59.590 61.300 -0.038 0.000 1.055 72 I CB 4.475 42.454 38.000 -0.034 0.000 1.243 72 I HN 0.729 8.756 8.210 -0.118 0.112 0.425 73 V N 4.392 124.306 119.914 0.000 0.000 2.439 73 V HA -0.022 nan 4.120 nan 0.000 0.271 73 V C 0.312 176.427 176.094 0.036 0.000 1.040 73 V CA 0.407 62.717 62.300 0.018 0.000 1.002 73 V CB -1.710 30.124 31.823 0.018 0.000 1.000 73 V HN 0.432 8.623 8.190 0.001 0.000 0.477 74 E N 8.750 128.991 120.200 0.067 0.000 2.060 74 E HA -0.103 nan 4.350 nan 0.000 0.189 74 E C -0.112 176.516 176.600 0.047 0.000 0.974 74 E CA 2.083 58.540 56.400 0.094 0.000 0.808 74 E CB 1.350 31.178 29.700 0.213 0.000 0.768 74 E HN 0.031 8.434 8.360 0.072 0.000 0.453 75 S N -2.742 112.978 115.700 0.035 0.000 2.570 75 S HA 0.208 nan 4.470 nan 0.000 0.270 75 S C -2.360 172.246 174.600 0.010 0.000 1.149 75 S CA -0.577 57.629 58.200 0.011 0.000 0.837 75 S CB 2.242 65.436 63.200 -0.009 0.000 1.124 75 S HN -0.683 7.655 8.310 0.046 0.000 0.465 76 I N -2.091 118.480 120.570 0.002 0.000 2.647 76 I HA 0.889 nan 4.170 nan 0.000 0.295 76 I C -1.107 175.002 176.117 -0.013 0.000 1.078 76 I CA -2.587 58.715 61.300 0.003 0.000 1.048 76 I CB 3.904 41.909 38.000 0.010 0.000 1.239 76 I HN 0.033 8.241 8.210 -0.004 0.000 0.421 77 G N 2.996 111.787 108.800 -0.015 0.000 2.599 77 G HA2 0.120 nan 3.960 nan 0.000 0.264 77 G HA3 0.120 nan 3.960 nan 0.000 0.264 77 G C -1.030 173.822 174.900 -0.079 0.000 1.200 77 G CA -1.470 43.605 45.100 -0.042 0.000 0.896 77 G HN 0.627 8.820 8.290 0.000 0.097 0.536 78 E N 0.881 121.010 120.200 -0.119 0.000 2.465 78 E HA -0.277 nan 4.350 nan 0.000 0.260 78 E C 0.862 177.260 176.600 -0.338 0.000 0.980 78 E CA 1.320 57.618 56.400 -0.169 0.000 0.927 78 E CB 0.525 30.134 29.700 -0.152 0.000 0.934 78 E HN 0.368 8.667 8.360 -0.101 0.000 0.459 79 G N 3.137 111.792 108.800 -0.243 0.000 2.241 79 G HA2 -0.430 nan 3.960 nan 0.000 0.244 79 G HA3 -0.430 nan 3.960 nan 0.000 0.244 79 G C -0.264 174.666 174.900 0.050 0.000 0.998 79 G CA 0.077 45.027 45.100 -0.250 0.000 0.621 79 G HN 0.443 8.652 8.290 -0.135 0.000 0.519 80 V N 1.791 121.742 119.914 0.062 0.000 2.681 80 V HA -0.271 nan 4.120 nan 0.000 0.306 80 V C 0.429 176.581 176.094 0.096 0.000 1.077 80 V CA 2.337 64.726 62.300 0.149 0.000 1.224 80 V CB -0.817 31.051 31.823 0.074 0.000 0.879 80 V HN -0.486 7.596 8.190 -0.050 0.078 0.494 81 T N 1.569 116.177 114.554 0.091 0.000 3.016 81 T HA 0.359 nan 4.350 nan 0.000 0.271 81 T C 0.971 175.692 174.700 0.035 0.000 0.968 81 T CA 0.742 62.875 62.100 0.054 0.000 0.891 81 T CB 1.168 70.067 68.868 0.052 0.000 1.149 81 T HN 0.235 8.778 8.240 0.102 -0.243 0.524 82 T N -0.631 113.943 114.554 0.034 0.000 3.033 82 T HA 0.183 nan 4.350 nan 0.000 0.248 82 T C 0.125 174.838 174.700 0.021 0.000 1.040 82 T CA 0.220 62.334 62.100 0.023 0.000 1.133 82 T CB 0.583 69.460 68.868 0.016 0.000 0.895 82 T HN -0.432 7.939 8.240 0.044 -0.104 0.465 83 V N -4.235 115.693 119.914 0.024 0.000 2.656 83 V HA 0.429 nan 4.120 nan 0.000 0.307 83 V C -1.867 174.239 176.094 0.020 0.000 1.051 83 V CA -2.154 60.159 62.300 0.021 0.000 0.893 83 V CB 2.186 34.022 31.823 0.021 0.000 0.999 83 V HN -0.669 7.538 8.190 0.030 0.000 0.426 84 R N 3.383 123.893 120.500 0.017 0.000 2.691 84 R HA 0.568 nan 4.340 nan 0.000 0.259 84 R C -2.319 173.989 176.300 0.014 0.000 1.048 84 R CA -3.281 52.827 56.100 0.014 0.000 1.086 84 R CB 1.359 31.666 30.300 0.012 0.000 1.166 84 R HN 0.126 8.704 8.270 0.016 -0.298 0.526 85 P HA -0.149 nan 4.420 nan 0.000 0.271 85 P C -0.597 176.712 177.300 0.014 0.000 1.220 85 P CA 0.800 63.909 63.100 0.015 0.000 0.768 85 P CB -0.172 31.536 31.700 0.013 0.000 0.848 86 G N 5.262 114.071 108.800 0.014 0.000 2.195 86 G HA2 -0.378 nan 3.960 nan 0.000 0.224 86 G HA3 -0.378 nan 3.960 nan 0.000 0.224 86 G C -0.620 174.286 174.900 0.009 0.000 0.990 86 G CA -0.344 44.763 45.100 0.011 0.000 0.639 86 G HN 0.516 8.696 8.290 0.016 0.120 0.514 87 D N 2.551 122.957 120.400 0.010 0.000 2.345 87 D HA 0.065 nan 4.640 nan 0.000 0.247 87 D C -0.606 175.698 176.300 0.008 0.000 1.108 87 D CA 0.387 54.393 54.000 0.010 0.000 0.894 87 D CB 0.656 41.464 40.800 0.013 0.000 1.203 87 D HN -0.588 7.724 8.370 0.012 0.065 0.430 88 K N 0.986 121.392 120.400 0.009 0.000 2.276 88 K HA 0.520 nan 4.320 nan 0.000 0.283 88 K C -1.013 175.594 176.600 0.012 0.000 1.044 88 K CA 0.552 56.844 56.287 0.008 0.000 0.944 88 K CB 0.529 33.036 32.500 0.013 0.000 1.012 88 K HN 0.372 8.629 8.250 0.011 0.000 0.472 89 V N -2.039 117.881 119.914 0.009 0.000 3.165 89 V HA 0.962 nan 4.120 nan 0.000 0.309 89 V C -1.950 174.156 176.094 0.019 0.000 1.267 89 V CA -2.754 59.556 62.300 0.016 0.000 1.067 89 V CB 4.266 36.097 31.823 0.014 0.000 1.082 89 V HN 0.795 8.986 8.190 0.001 0.000 0.451 90 I N -1.896 118.691 120.570 0.029 0.000 2.500 90 I HA 0.627 nan 4.170 nan 0.000 0.286 90 I C -2.302 173.839 176.117 0.041 0.000 1.063 90 I CA -3.026 58.299 61.300 0.041 0.000 1.062 90 I CB 3.186 41.223 38.000 0.062 0.000 1.223 90 I HN 0.413 8.640 8.210 0.028 0.000 0.435 91 P HA 0.315 nan 4.420 nan 0.000 0.273 91 P C -1.592 175.742 177.300 0.057 0.000 1.250 91 P CA -0.579 62.552 63.100 0.052 0.000 0.793 91 P CB 0.535 32.278 31.700 0.073 0.000 1.011 92 L N -0.592 120.647 121.223 0.027 0.000 2.441 92 L HA 0.213 nan 4.340 nan 0.000 0.270 92 L C -0.050 176.803 176.870 -0.028 0.000 0.973 92 L CA -0.670 54.144 54.840 -0.044 0.000 0.842 92 L CB 2.225 44.176 42.059 -0.181 0.000 1.239 92 L HN 0.161 8.338 8.230 0.022 0.065 0.406 93 F N -1.108 118.752 119.950 -0.151 0.000 2.451 93 F HA -0.099 nan 4.527 nan 0.000 0.299 93 F C -0.461 175.245 175.800 -0.157 0.000 1.101 93 F CA 0.186 58.094 58.000 -0.153 0.000 1.436 93 F CB -0.326 38.568 39.000 -0.175 0.000 1.074 93 F HN 0.203 8.864 8.300 0.601 0.000 0.553 94 T N 3.557 117.677 114.554 -0.725 0.000 2.821 94 T HA 0.427 nan 4.350 nan 0.000 0.307 94 T C -2.093 172.401 174.700 -0.343 0.000 1.034 94 T CA -2.064 59.710 62.100 -0.543 0.000 0.953 94 T CB 0.759 69.206 68.868 -0.702 0.000 0.968 94 T HN -0.155 7.513 8.240 -0.861 0.055 0.462 95 P HA -0.018 nan 4.420 nan 0.000 0.273 95 P C -1.545 175.675 177.300 -0.132 0.000 1.258 95 P CA 0.087 63.091 63.100 -0.161 0.000 0.802 95 P CB 0.694 32.303 31.700 -0.151 0.000 1.040 96 Q N -1.884 117.859 119.800 -0.096 0.000 2.601 96 Q HA 0.124 nan 4.340 nan 0.000 0.284 96 Q C 0.068 176.033 176.000 -0.058 0.000 0.736 96 Q CA -0.836 54.929 55.803 -0.065 0.000 1.048 96 Q CB 0.481 29.195 28.738 -0.041 0.000 1.438 96 Q HN -0.209 8.006 8.270 -0.092 0.000 0.370 97 C N -3.121 116.136 119.300 -0.071 0.000 2.397 97 C HA -0.176 nan 4.460 nan 0.000 0.279 97 C C 1.513 176.469 174.990 -0.056 0.000 1.206 97 C CA 0.739 59.715 59.018 -0.069 0.000 1.818 97 C CB -1.090 26.605 27.740 -0.075 0.000 2.087 97 C HN 0.325 8.504 8.230 -0.086 0.000 0.488 98 G N 1.697 110.473 108.800 -0.041 0.000 2.234 98 G HA2 -0.450 nan 3.960 nan 0.000 0.260 98 G HA3 -0.450 nan 3.960 nan 0.000 0.260 98 G C -0.007 174.878 174.900 -0.025 0.000 0.987 98 G CA 1.263 46.346 45.100 -0.028 0.000 0.625 98 G HN -0.314 7.896 8.290 -0.039 0.057 0.532 99 K N -0.069 120.311 120.400 -0.034 0.000 2.276 99 K HA 0.138 nan 4.320 nan 0.000 0.198 99 K C 0.556 177.141 176.600 -0.024 0.000 1.052 99 K CA -0.097 56.173 56.287 -0.029 0.000 0.984 99 K CB 0.824 33.302 32.500 -0.038 0.000 0.836 99 K HN -0.150 7.978 8.250 -0.044 0.095 0.490 100 C N -0.224 119.058 119.300 -0.031 0.000 2.649 100 C HA 0.244 nan 4.460 nan 0.000 0.377 100 C C 1.662 176.645 174.990 -0.011 0.000 1.321 100 C CA -1.764 57.236 59.018 -0.030 0.000 2.368 100 C CB 0.846 28.555 27.740 -0.050 0.000 2.597 100 C HN -0.485 7.721 8.230 -0.040 0.000 0.678 101 R N 0.720 121.214 120.500 -0.011 0.000 2.113 101 R HA -0.295 nan 4.340 nan 0.000 0.244 101 R C 2.024 178.345 176.300 0.035 0.000 1.142 101 R CA 2.394 58.496 56.100 0.005 0.000 0.953 101 R CB -0.991 29.299 30.300 -0.018 0.000 0.860 101 R HN 0.677 8.934 8.270 -0.022 0.000 0.438 102 V N -1.314 118.612 119.914 0.021 0.000 2.261 102 V HA -0.221 nan 4.120 nan 0.000 0.246 102 V C 2.333 178.482 176.094 0.091 0.000 1.047 102 V CA 3.870 66.208 62.300 0.062 0.000 1.015 102 V CB -0.512 31.331 31.823 0.032 0.000 0.642 102 V HN -0.142 8.043 8.190 -0.008 0.000 0.446 103 C N -1.739 117.585 119.300 0.041 0.000 2.419 103 C HA -0.247 nan 4.460 nan 0.000 0.281 103 C C 1.941 176.956 174.990 0.043 0.000 1.336 103 C CA 2.717 61.755 59.018 0.034 0.000 1.770 103 C CB -1.896 25.846 27.740 0.002 0.000 1.929 103 C HN -0.284 7.955 8.230 0.015 0.000 0.509 104 K N -4.120 116.312 120.400 0.053 0.000 2.243 104 K HA 0.005 nan 4.320 nan 0.000 0.201 104 K C -0.071 176.580 176.600 0.085 0.000 1.051 104 K CA 0.154 56.472 56.287 0.052 0.000 0.970 104 K CB 0.053 32.579 32.500 0.044 0.000 0.755 104 K HN -0.330 7.819 8.250 0.052 0.132 0.465 105 H N 4.284 123.359 119.070 0.009 0.000 2.848 105 H HA 0.057 nan 4.556 nan 0.000 0.317 105 H C -0.743 174.596 175.328 0.019 0.000 1.046 105 H CA -1.270 54.785 56.048 0.013 0.000 1.470 105 H CB 1.634 31.405 29.762 0.014 0.000 1.483 105 H HN -0.488 7.747 8.280 0.187 0.157 0.548 106 P HA -0.179 nan 4.420 nan 0.000 0.221 106 P C -0.018 177.132 177.300 -0.251 0.000 1.145 106 P CA 1.901 64.857 63.100 -0.240 0.000 0.795 106 P CB 0.152 31.720 31.700 -0.219 0.000 0.775 107 E N -1.271 118.638 120.200 -0.484 0.000 2.094 107 E HA 0.008 nan 4.350 nan 0.000 0.193 107 E C -0.028 176.619 176.600 0.079 0.000 0.950 107 E CA 0.144 56.446 56.400 -0.162 0.000 0.842 107 E CB 1.557 31.187 29.700 -0.117 0.000 0.816 107 E HN -0.482 7.138 8.360 -1.143 0.054 0.465 108 G N -0.632 108.374 108.800 0.344 0.000 2.554 108 G HA2 -0.195 nan 3.960 nan 0.000 0.238 108 G HA3 -0.195 nan 3.960 nan 0.000 0.238 108 G C -0.954 174.045 174.900 0.164 0.000 1.259 108 G CA 0.457 45.705 45.100 0.246 0.000 0.843 108 G HN -0.257 8.471 8.290 0.729 0.000 0.582 109 N N 0.055 118.846 118.700 0.153 0.000 2.239 109 N HA -0.055 nan 4.740 nan 0.000 0.208 109 N C -0.282 175.334 175.510 0.177 0.000 1.200 109 N CA -0.143 52.998 53.050 0.152 0.000 0.895 109 N CB 1.089 39.679 38.487 0.172 0.000 1.085 109 N HN 0.073 8.545 8.380 0.153 0.000 0.500 110 F N 3.216 123.167 119.950 0.002 0.000 2.604 110 F HA -0.105 nan 4.527 nan 0.000 0.337 110 F C -0.770 175.007 175.800 -0.038 0.000 1.294 110 F CA -0.825 57.156 58.000 -0.031 0.000 1.066 110 F CB -1.530 37.455 39.000 -0.026 0.000 1.391 110 F HN -0.602 7.877 8.300 0.298 0.000 0.652 111 C N 6.527 125.710 119.300 -0.196 0.000 2.611 111 C HA -0.103 nan 4.460 nan 0.000 0.416 111 C C 1.711 176.460 174.990 -0.402 0.000 1.366 111 C CA -0.257 58.614 59.018 -0.245 0.000 1.761 111 C CB 0.576 28.203 27.740 -0.189 0.000 2.619 111 C HN 0.036 8.183 8.230 -0.095 0.026 0.606 112 L N 5.625 126.694 121.223 -0.256 0.000 2.450 112 L HA -0.143 nan 4.340 nan 0.000 0.224 112 L C 0.655 177.391 176.870 -0.222 0.000 1.149 112 L CA 1.492 56.189 54.840 -0.238 0.000 0.816 112 L CB -1.033 40.943 42.059 -0.138 0.000 0.932 112 L HN 0.493 8.617 8.230 -0.176 0.000 0.449 113 K N -3.739 116.534 120.400 -0.213 0.000 2.410 113 K HA 0.088 nan 4.320 nan 0.000 0.200 113 K C -0.385 176.098 176.600 -0.195 0.000 1.023 113 K CA -1.220 54.966 56.287 -0.168 0.000 1.149 113 K CB -0.541 31.883 32.500 -0.128 0.000 0.859 113 K HN -0.700 7.337 8.250 -0.222 0.079 0.514 114 N N -0.074 118.448 118.700 -0.296 0.000 2.467 114 N HA -0.060 nan 4.740 nan 0.000 0.262 114 N C -0.774 174.625 175.510 -0.186 0.000 1.234 114 N CA 0.380 53.259 53.050 -0.285 0.000 0.952 114 N CB 1.099 39.288 38.487 -0.497 0.000 1.158 114 N HN -0.476 7.591 8.380 -0.394 0.077 0.463 115 D N 0.122 120.453 120.400 -0.115 0.000 2.538 115 D HA 0.189 nan 4.640 nan 0.000 0.231 115 D C 0.132 176.413 176.300 -0.032 0.000 1.229 115 D CA -0.014 53.945 54.000 -0.068 0.000 0.828 115 D CB 0.424 41.190 40.800 -0.057 0.000 1.035 115 D HN 0.256 8.560 8.370 -0.109 0.000 0.495 116 L N -2.396 118.836 121.223 0.014 0.000 2.130 116 L HA -0.165 nan 4.340 nan 0.000 0.200 116 L C 0.260 177.209 176.870 0.132 0.000 1.075 116 L CA 2.249 57.146 54.840 0.095 0.000 0.768 116 L CB 0.251 42.451 42.059 0.235 0.000 0.933 116 L HN -0.165 7.956 8.230 -0.020 0.097 0.451 117 S N -2.069 113.748 115.700 0.196 0.000 2.368 117 S HA -0.294 nan 4.470 nan 0.000 0.225 117 S C 0.425 175.065 174.600 0.066 0.000 1.030 117 S CA 2.109 60.403 58.200 0.157 0.000 0.999 117 S CB 0.015 63.338 63.200 0.204 0.000 0.844 117 S HN -0.291 8.153 8.310 0.224 0.000 0.459 118 M N 1.146 120.764 119.600 0.030 0.000 2.126 118 M HA 0.414 nan 4.480 nan 0.000 0.217 118 M C -2.636 173.662 176.300 -0.003 0.000 0.873 118 M CA -3.737 51.569 55.300 0.008 0.000 0.707 118 M CB 1.975 34.571 32.600 -0.006 0.000 1.515 118 M HN -0.553 7.746 8.290 0.015 0.000 0.369 119 P HA -0.049 nan 4.420 nan 0.000 0.259 119 P C -1.374 175.910 177.300 -0.027 0.000 1.211 119 P CA 0.266 63.368 63.100 0.003 0.000 0.810 119 P CB 0.252 31.975 31.700 0.038 0.000 0.815 120 R N 4.475 124.955 120.500 -0.033 0.000 2.066 120 R HA -0.073 nan 4.340 nan 0.000 0.224 120 R C 0.991 177.238 176.300 -0.088 0.000 1.122 120 R CA 0.385 56.456 56.100 -0.048 0.000 0.974 120 R CB 0.931 31.214 30.300 -0.028 0.000 0.871 120 R HN 0.481 9.156 8.270 -0.024 -0.420 0.435 121 G N -0.861 107.924 108.800 -0.025 0.000 2.165 121 G HA2 -0.292 nan 3.960 nan 0.000 0.226 121 G HA3 -0.292 nan 3.960 nan 0.000 0.226 121 G C -1.240 173.776 174.900 0.194 0.000 1.035 121 G CA -0.294 44.835 45.100 0.047 0.000 0.744 121 G HN -0.369 8.315 8.290 0.000 -0.394 0.501 122 T N -5.016 109.565 114.554 0.045 0.000 2.591 122 T HA 0.652 nan 4.350 nan 0.000 0.274 122 T C -2.051 172.484 174.700 -0.275 0.000 0.945 122 T CA -2.114 59.928 62.100 -0.097 0.000 1.087 122 T CB 3.204 72.057 68.868 -0.024 0.000 1.416 122 T HN -0.806 7.439 8.240 0.009 0.000 0.514 123 M N -0.673 118.750 119.600 -0.295 0.000 2.792 123 M HA 0.366 nan 4.480 nan 0.000 0.294 123 M C 1.920 178.159 176.300 -0.102 0.000 1.215 123 M CA -1.964 53.208 55.300 -0.214 0.000 0.883 123 M CB 2.790 35.271 32.600 -0.197 0.000 1.620 123 M HN -0.269 7.879 8.290 -0.237 0.000 0.511 124 Q N 0.482 120.243 119.800 -0.066 0.000 2.135 124 Q HA -0.330 nan 4.340 nan 0.000 0.204 124 Q C 1.841 177.819 176.000 -0.038 0.000 0.981 124 Q CA 3.570 59.345 55.803 -0.048 0.000 0.856 124 Q CB -0.450 28.266 28.738 -0.035 0.000 0.902 124 Q HN 0.394 8.819 8.270 -0.058 -0.190 0.425 125 D N -3.760 116.619 120.400 -0.034 0.000 2.363 125 D HA -0.128 nan 4.640 nan 0.000 0.226 125 D C 0.680 176.968 176.300 -0.021 0.000 1.020 125 D CA -0.287 53.700 54.000 -0.022 0.000 0.892 125 D CB -1.165 39.627 40.800 -0.014 0.000 0.900 125 D HN -0.413 7.918 8.370 -0.039 0.015 0.531 126 G N -0.551 108.230 108.800 -0.032 0.000 2.162 126 G HA2 -0.428 nan 3.960 nan 0.000 0.260 126 G HA3 -0.428 nan 3.960 nan 0.000 0.260 126 G C -0.954 173.943 174.900 -0.006 0.000 0.976 126 G CA 0.369 45.459 45.100 -0.017 0.000 0.655 126 G HN 0.185 8.233 8.290 -0.046 0.214 0.533 127 T N -4.068 110.472 114.554 -0.024 0.000 2.940 127 T HA 0.353 nan 4.350 nan 0.000 0.288 127 T C -0.560 174.124 174.700 -0.027 0.000 1.033 127 T CA -2.502 59.597 62.100 -0.002 0.000 1.033 127 T CB 2.844 71.714 68.868 0.004 0.000 1.079 127 T HN -0.387 8.083 8.240 -0.044 -0.256 0.496 128 S N 1.801 117.543 115.700 0.071 0.000 2.546 128 S HA 0.303 nan 4.470 nan 0.000 0.265 128 S C -0.095 174.662 174.600 0.262 0.000 1.190 128 S CA 0.360 58.714 58.200 0.256 0.000 1.014 128 S CB 0.784 64.175 63.200 0.317 0.000 1.087 128 S HN 0.259 8.618 8.310 0.081 0.000 0.525 129 R N -3.590 117.099 120.500 0.316 0.000 2.395 129 R HA 0.224 nan 4.340 nan 0.000 0.280 129 R C -1.638 174.366 176.300 -0.493 0.000 0.742 129 R CA -0.119 55.909 56.100 -0.121 0.000 0.969 129 R CB 2.175 32.392 30.300 -0.139 0.000 1.679 129 R HN -0.171 8.384 8.270 0.475 0.000 0.480 130 F N -0.968 119.001 119.950 0.032 0.000 2.540 130 F HA 0.471 nan 4.527 nan 0.000 0.317 130 F C -1.731 174.070 175.800 0.001 0.000 1.104 130 F CA -1.289 56.690 58.000 -0.035 0.000 0.913 130 F CB 3.770 42.694 39.000 -0.126 0.000 1.170 130 F HN -0.558 7.842 8.300 0.166 0.000 0.450 131 T N 3.169 117.829 114.554 0.177 0.000 2.937 131 T HA 0.481 nan 4.350 nan 0.000 0.297 131 T C -2.423 172.365 174.700 0.146 0.000 0.991 131 T CA -0.903 61.277 62.100 0.132 0.000 0.990 131 T CB 1.408 70.327 68.868 0.085 0.000 0.991 131 T HN 0.307 8.655 8.240 0.180 0.000 0.440 132 C N 6.102 125.507 119.300 0.174 0.000 2.563 132 C HA 0.738 nan 4.460 nan 0.000 0.314 132 C C -1.084 174.072 174.990 0.277 0.000 1.199 132 C CA -1.505 57.649 59.018 0.226 0.000 1.564 132 C CB 2.199 30.073 27.740 0.224 0.000 2.173 132 C HN 0.331 8.671 8.230 0.182 0.000 0.485 133 R N 3.191 123.823 120.500 0.221 0.000 3.992 133 R HA -0.394 nan 4.340 nan 0.000 0.330 133 R C 0.174 176.539 176.300 0.109 0.000 0.242 133 R CA 1.995 58.179 56.100 0.140 0.000 1.095 133 R CB -1.674 28.689 30.300 0.104 0.000 1.002 133 R HN 0.821 9.212 8.270 0.202 0.000 0.559 134 G N 1.877 110.732 108.800 0.091 0.000 2.748 134 G HA2 0.025 nan 3.960 nan 0.000 0.204 134 G HA3 0.025 nan 3.960 nan 0.000 0.204 134 G C -0.731 174.220 174.900 0.084 0.000 1.095 134 G CA 0.090 45.233 45.100 0.072 0.000 0.775 134 G HN 0.257 8.595 8.290 0.080 0.000 0.531 135 K N 2.193 122.658 120.400 0.108 0.000 2.218 135 K HA 0.365 nan 4.320 nan 0.000 0.276 135 K C -2.498 174.177 176.600 0.125 0.000 1.022 135 K CA -2.727 53.626 56.287 0.111 0.000 0.946 135 K CB -0.705 31.868 32.500 0.121 0.000 1.000 135 K HN -0.627 7.698 8.250 0.125 0.000 0.468 136 P HA 0.159 nan 4.420 nan 0.000 0.269 136 P C -1.137 176.171 177.300 0.014 0.000 1.215 136 P CA 0.099 63.239 63.100 0.067 0.000 0.780 136 P CB 0.448 32.175 31.700 0.046 0.000 0.898 137 I N -0.478 120.109 120.570 0.029 0.000 2.569 137 I HA 0.257 nan 4.170 nan 0.000 0.296 137 I C -0.590 175.523 176.117 -0.006 0.000 1.028 137 I CA -2.300 58.954 61.300 -0.077 0.000 1.082 137 I CB 2.598 40.540 38.000 -0.098 0.000 1.264 137 I HN 0.554 8.743 8.210 0.131 0.099 0.429 138 H N 4.255 123.416 119.070 0.153 0.000 2.603 138 H HA 0.184 nan 4.556 nan 0.000 0.370 138 H C -0.173 175.319 175.328 0.274 0.000 1.225 138 H CA -0.345 55.867 56.048 0.273 0.000 1.410 138 H CB 1.248 31.119 29.762 0.182 0.000 1.495 138 H HN 0.507 8.668 8.280 -0.198 0.000 0.602 139 H N -1.188 118.072 119.070 0.316 0.000 2.530 139 H HA 0.145 nan 4.556 nan 0.000 0.342 139 H C -0.994 174.503 175.328 0.282 0.000 1.312 139 H CA -1.933 54.272 56.048 0.261 0.000 1.376 139 H CB 2.065 32.015 29.762 0.314 0.000 1.692 139 H HN -0.189 8.419 8.280 0.744 0.118 0.622 140 F N 0.097 120.161 119.950 0.190 0.000 2.539 140 F HA 0.225 nan 4.527 nan 0.000 0.318 140 F C -0.939 174.926 175.800 0.108 0.000 1.135 140 F CA -1.629 56.432 58.000 0.101 0.000 0.915 140 F CB 2.538 41.558 39.000 0.033 0.000 1.176 140 F HN -0.362 8.191 8.300 0.421 0.000 0.440 141 L N 4.194 125.213 121.223 -0.340 0.000 4.269 141 L HA -0.430 nan 4.340 nan 0.000 0.431 141 L C 0.362 177.200 176.870 -0.053 0.000 1.139 141 L CA 0.858 55.523 54.840 -0.293 0.000 0.982 141 L CB -1.626 40.146 42.059 -0.478 0.000 1.915 141 L HN 1.040 9.089 8.230 -0.300 0.000 1.015 142 G N -6.300 102.532 108.800 0.053 0.000 2.153 142 G HA2 -0.430 nan 3.960 nan 0.000 0.252 142 G HA3 -0.430 nan 3.960 nan 0.000 0.252 142 G C -0.492 174.493 174.900 0.142 0.000 0.994 142 G CA 0.670 45.830 45.100 0.100 0.000 0.698 142 G HN 0.257 8.533 8.290 0.099 0.073 0.521 143 T N -4.867 109.785 114.554 0.163 0.000 3.330 143 T HA 0.297 nan 4.350 nan 0.000 0.240 143 T C -0.787 174.031 174.700 0.196 0.000 0.988 143 T CA 0.027 62.227 62.100 0.167 0.000 1.253 143 T CB 2.153 71.112 68.868 0.153 0.000 1.163 143 T HN 0.037 8.203 8.240 0.149 0.164 0.382 144 S N 1.682 117.504 115.700 0.202 0.000 3.310 144 S HA -0.361 nan 4.470 nan 0.000 0.431 144 S C 0.025 174.673 174.600 0.079 0.000 0.807 144 S CA 0.526 58.801 58.200 0.125 0.000 1.358 144 S CB -1.924 61.309 63.200 0.055 0.000 1.027 144 S HN -0.300 8.151 8.310 0.235 0.000 0.666 145 T N -2.200 112.380 114.554 0.045 0.000 3.069 145 T HA 0.211 nan 4.350 nan 0.000 0.252 145 T C 0.697 175.618 174.700 0.368 0.000 1.053 145 T CA -0.006 62.167 62.100 0.123 0.000 0.964 145 T CB 0.186 69.126 68.868 0.120 0.000 1.005 145 T HN -0.285 7.767 8.240 -0.053 0.156 0.532 146 F N 5.312 125.362 119.950 0.167 0.000 2.705 146 F HA 0.367 nan 4.527 nan 0.000 0.355 146 F C -1.852 174.092 175.800 0.240 0.000 1.172 146 F CA -3.472 54.715 58.000 0.312 0.000 1.332 146 F CB -2.882 36.231 39.000 0.187 0.000 1.621 146 F HN -0.284 8.060 8.300 0.152 0.047 0.605 147 S N -1.963 113.859 115.700 0.202 0.000 2.537 147 S HA 0.296 nan 4.470 nan 0.000 0.271 147 S C -0.455 173.972 174.600 -0.288 0.000 1.148 147 S CA -1.714 56.478 58.200 -0.013 0.000 0.868 147 S CB 1.741 64.988 63.200 0.077 0.000 1.115 147 S HN -0.295 8.046 8.310 0.182 0.078 0.461 148 Q N 1.810 121.444 119.800 -0.276 0.000 2.167 148 Q HA -0.168 nan 4.340 nan 0.000 0.202 148 Q C -0.016 175.645 176.000 -0.565 0.000 0.970 148 Q CA 3.180 58.697 55.803 -0.477 0.000 0.855 148 Q CB 1.243 29.885 28.738 -0.159 0.000 0.911 148 Q HN 0.055 8.249 8.270 -0.128 0.000 0.438 149 Y N -5.153 115.058 120.300 -0.148 0.000 2.492 149 Y HA 0.439 nan 4.550 nan 0.000 0.346 149 Y C -2.123 173.786 175.900 0.015 0.000 0.997 149 Y CA -1.124 56.924 58.100 -0.087 0.000 1.025 149 Y CB 3.730 42.156 38.460 -0.055 0.000 1.263 149 Y HN -0.834 7.482 8.280 0.093 0.020 0.454 150 T N 1.057 115.715 114.554 0.175 0.000 2.792 150 T HA 0.449 nan 4.350 nan 0.000 0.303 150 T C -2.608 172.152 174.700 0.100 0.000 1.310 150 T CA -1.560 60.656 62.100 0.193 0.000 1.007 150 T CB 3.364 72.360 68.868 0.214 0.000 1.335 150 T HN 0.026 8.353 8.240 0.145 0.000 0.504 151 V N 2.254 122.215 119.914 0.078 0.000 2.443 151 V HA 0.874 nan 4.120 nan 0.000 0.293 151 V C -1.451 174.713 176.094 0.116 0.000 1.021 151 V CA -1.749 60.586 62.300 0.059 0.000 0.848 151 V CB 1.136 32.955 31.823 -0.007 0.000 0.998 151 V HN 0.361 8.621 8.190 0.116 0.000 0.424 152 V N 0.669 120.637 119.914 0.090 0.000 2.881 152 V HA 0.758 nan 4.120 nan 0.000 0.316 152 V C -1.368 174.761 176.094 0.057 0.000 1.070 152 V CA -3.654 58.699 62.300 0.088 0.000 0.976 152 V CB 2.951 34.819 31.823 0.074 0.000 1.038 152 V HN 0.669 8.900 8.190 0.068 0.000 0.446 153 D N 2.311 122.737 120.400 0.042 0.000 2.362 153 D HA 0.023 nan 4.640 nan 0.000 0.242 153 D C 0.876 177.188 176.300 0.021 0.000 1.132 153 D CA 1.599 55.616 54.000 0.028 0.000 0.907 153 D CB 1.237 42.039 40.800 0.005 0.000 1.195 153 D HN 0.360 8.757 8.370 0.045 0.000 0.429 154 E N 4.557 124.773 120.200 0.026 0.000 2.209 154 E HA -0.394 nan 4.350 nan 0.000 0.196 154 E C 1.320 177.912 176.600 -0.013 0.000 0.993 154 E CA 3.444 59.854 56.400 0.016 0.000 0.819 154 E CB 0.046 29.761 29.700 0.026 0.000 0.745 154 E HN 0.160 8.547 8.360 0.046 0.000 0.477 155 I N -8.718 111.833 120.570 -0.031 0.000 2.928 155 I HA -0.072 nan 4.170 nan 0.000 0.266 155 I C 0.589 176.676 176.117 -0.049 0.000 1.234 155 I CA 1.550 62.821 61.300 -0.048 0.000 1.483 155 I CB -0.327 37.634 38.000 -0.065 0.000 1.097 155 I HN -0.131 8.029 8.210 -0.030 0.032 0.455 156 S N -0.091 115.589 115.700 -0.034 0.000 2.537 156 S HA 0.171 nan 4.470 nan 0.000 0.246 156 S C -2.040 172.552 174.600 -0.014 0.000 1.036 156 S CA 0.725 58.904 58.200 -0.036 0.000 1.041 156 S CB 0.011 63.200 63.200 -0.018 0.000 0.799 156 S HN -0.227 7.892 8.310 -0.019 0.180 0.456 157 V N -0.675 119.233 119.914 -0.011 0.000 2.851 157 V HA 0.481 nan 4.120 nan 0.000 0.307 157 V C -2.856 173.240 176.094 0.003 0.000 1.129 157 V CA -1.035 61.268 62.300 0.004 0.000 0.932 157 V CB 4.171 36.004 31.823 0.016 0.000 1.024 157 V HN -0.873 7.247 8.190 -0.016 0.061 0.426 158 A N 6.075 128.902 122.820 0.011 0.000 2.318 158 A HA 0.635 nan 4.320 nan 0.000 0.317 158 A C -2.079 175.519 177.584 0.023 0.000 1.159 158 A CA -1.892 50.156 52.037 0.018 0.000 0.799 158 A CB 2.412 21.427 19.000 0.025 0.000 1.194 158 A HN 0.661 8.713 8.150 0.016 0.107 0.479 159 K N 5.024 125.437 120.400 0.022 0.000 2.322 159 K HA 0.338 nan 4.320 nan 0.000 0.283 159 K C -0.763 175.854 176.600 0.027 0.000 1.042 159 K CA 0.223 56.523 56.287 0.022 0.000 0.958 159 K CB 0.513 33.025 32.500 0.020 0.000 0.984 159 K HN 0.277 8.538 8.250 0.020 0.000 0.473 160 I N 0.570 121.157 120.570 0.028 0.000 2.846 160 I HA 0.306 nan 4.170 nan 0.000 0.307 160 I C -1.667 174.469 176.117 0.031 0.000 1.053 160 I CA -2.085 59.235 61.300 0.034 0.000 1.050 160 I CB 3.318 41.343 38.000 0.041 0.000 1.239 160 I HN 0.423 8.648 8.210 0.025 0.000 0.439 161 D N 2.371 122.791 120.400 0.034 0.000 2.772 161 D HA -0.260 nan 4.640 nan 0.000 0.227 161 D C 0.952 177.267 176.300 0.025 0.000 1.114 161 D CA 0.980 54.997 54.000 0.028 0.000 0.832 161 D CB 1.201 42.020 40.800 0.032 0.000 1.154 161 D HN 0.156 8.550 8.370 0.040 0.000 0.514 162 A N 6.145 128.975 122.820 0.017 0.000 2.032 162 A HA -0.205 nan 4.320 nan 0.000 0.221 162 A C 0.060 177.652 177.584 0.013 0.000 1.165 162 A CA 2.248 54.294 52.037 0.014 0.000 0.645 162 A CB -0.227 18.779 19.000 0.009 0.000 0.807 162 A HN 0.403 8.562 8.150 0.015 0.000 0.453 163 A N -3.692 119.136 122.820 0.013 0.000 2.415 163 A HA 0.164 nan 4.320 nan 0.000 0.248 163 A C -0.395 177.202 177.584 0.022 0.000 1.299 163 A CA -0.306 51.737 52.037 0.010 0.000 0.899 163 A CB -0.022 18.977 19.000 -0.003 0.000 0.997 163 A HN -0.180 8.217 8.150 0.012 -0.239 0.506 164 S N 0.888 116.612 115.700 0.039 0.000 2.523 164 S HA 0.241 nan 4.470 nan 0.000 0.275 164 S C -1.654 172.991 174.600 0.075 0.000 1.281 164 S CA -2.525 55.720 58.200 0.074 0.000 1.050 164 S CB 0.007 63.256 63.200 0.081 0.000 0.937 164 S HN -0.208 7.964 8.310 0.034 0.159 0.492 165 P HA 0.194 nan 4.420 nan 0.000 0.256 165 P C -0.094 177.243 177.300 0.062 0.000 1.688 165 P CA -0.402 62.755 63.100 0.095 0.000 1.162 165 P CB -1.011 30.782 31.700 0.156 0.000 1.870 166 L N 1.962 123.208 121.223 0.038 0.000 2.369 166 L HA -0.415 nan 4.340 nan 0.000 0.220 166 L C 0.811 177.693 176.870 0.019 0.000 1.119 166 L CA 2.442 57.295 54.840 0.022 0.000 0.780 166 L CB -0.877 41.194 42.059 0.021 0.000 0.906 166 L HN -0.297 7.927 8.230 0.039 0.030 0.442 167 E N -4.448 115.766 120.200 0.022 0.000 2.463 167 E HA -0.023 nan 4.350 nan 0.000 0.193 167 E C -0.239 176.358 176.600 -0.005 0.000 1.041 167 E CA 0.626 57.038 56.400 0.020 0.000 0.879 167 E CB -0.563 29.153 29.700 0.027 0.000 0.997 167 E HN 0.141 8.453 8.360 0.030 0.066 0.478 168 K N -1.373 119.007 120.400 -0.034 0.000 2.418 168 K HA 0.151 nan 4.320 nan 0.000 0.208 168 K C 1.643 178.093 176.600 -0.250 0.000 1.261 168 K CA 1.065 57.283 56.287 -0.116 0.000 0.874 168 K CB 2.183 34.652 32.500 -0.052 0.000 1.451 168 K HN 0.013 8.068 8.250 -0.021 0.182 0.466 169 V N 0.406 120.167 119.914 -0.255 0.000 2.982 169 V HA -0.273 nan 4.120 nan 0.000 0.265 169 V C 2.083 178.120 176.094 -0.095 0.000 1.122 169 V CA 3.442 65.593 62.300 -0.249 0.000 1.143 169 V CB -1.423 30.332 31.823 -0.113 0.000 0.726 169 V HN -0.216 7.883 8.190 -0.150 0.000 0.507 170 C N -0.988 118.283 119.300 -0.049 0.000 2.432 170 C HA -0.155 nan 4.460 nan 0.000 0.280 170 C C 1.771 176.777 174.990 0.028 0.000 1.353 170 C CA 1.988 61.012 59.018 0.011 0.000 1.766 170 C CB -1.974 25.785 27.740 0.031 0.000 1.924 170 C HN -0.405 7.727 8.230 -0.057 0.064 0.509 171 L N 1.792 123.009 121.223 -0.010 0.000 2.187 171 L HA -0.284 nan 4.340 nan 0.000 0.213 171 L C 1.563 178.510 176.870 0.128 0.000 1.100 171 L CA 2.441 57.299 54.840 0.031 0.000 0.765 171 L CB -0.475 41.566 42.059 -0.029 0.000 0.904 171 L HN -0.273 7.897 8.230 -0.063 0.022 0.437 172 I N -1.930 118.705 120.570 0.109 0.000 2.916 172 I HA -0.392 nan 4.170 nan 0.000 0.267 172 I C 1.216 177.518 176.117 0.308 0.000 1.263 172 I CA 2.735 64.160 61.300 0.209 0.000 1.471 172 I CB -0.861 37.215 38.000 0.126 0.000 1.089 172 I HN -0.604 7.465 8.210 0.014 0.149 0.468 173 G N -3.024 105.944 108.800 0.279 0.000 2.920 173 G HA2 -0.137 nan 3.960 nan 0.000 0.208 173 G HA3 -0.137 nan 3.960 nan 0.000 0.208 173 G C -1.515 173.730 174.900 0.575 0.000 1.159 173 G CA 0.646 45.968 45.100 0.370 0.000 0.784 173 G HN 0.060 8.282 8.290 0.187 0.179 0.535 174 C N -2.282 117.312 119.300 0.490 0.000 3.510 174 C HA 0.258 nan 4.460 nan 0.000 0.107 174 C C 0.604 175.775 174.990 0.301 0.000 2.780 174 C CA 1.045 60.350 59.018 0.479 0.000 0.836 174 C CB -0.208 27.637 27.740 0.174 0.000 1.833 174 C HN -0.462 7.920 8.230 0.359 0.063 0.596 175 G N 2.059 110.967 108.800 0.179 0.000 2.759 175 G HA2 -0.479 nan 3.960 nan 0.000 0.224 175 G HA3 -0.479 nan 3.960 nan 0.000 0.224 175 G C 0.681 175.665 174.900 0.141 0.000 1.173 175 G CA 2.683 47.865 45.100 0.136 0.000 0.770 175 G HN -0.332 8.203 8.290 0.125 -0.169 0.626 176 F N 1.332 121.291 119.950 0.016 0.000 2.022 176 F HA -0.247 nan 4.527 nan 0.000 0.293 176 F C 1.359 177.145 175.800 -0.025 0.000 1.142 176 F CA 2.733 60.706 58.000 -0.046 0.000 1.177 176 F CB 0.248 39.161 39.000 -0.145 0.000 0.982 176 F HN -0.174 8.286 8.300 0.267 0.000 0.473 177 S N -1.085 114.509 115.700 -0.176 0.000 2.400 177 S HA -0.539 nan 4.470 nan 0.000 0.234 177 S C 2.369 176.865 174.600 -0.174 0.000 1.049 177 S CA 3.732 61.765 58.200 -0.279 0.000 1.039 177 S CB -0.099 62.893 63.200 -0.347 0.000 0.856 177 S HN 0.339 8.736 8.310 0.145 0.000 0.465 178 T N -1.064 113.404 114.554 -0.143 0.000 2.770 178 T HA -0.042 nan 4.350 nan 0.000 0.258 178 T C 2.027 176.651 174.700 -0.127 0.000 1.039 178 T CA 3.751 65.792 62.100 -0.097 0.000 1.143 178 T CB -0.317 68.607 68.868 0.093 0.000 0.866 178 T HN -0.070 8.131 8.240 -0.033 0.020 0.428 179 G N 2.107 110.836 108.800 -0.118 0.000 2.446 179 G HA2 -0.337 nan 3.960 nan 0.000 0.217 179 G HA3 -0.337 nan 3.960 nan 0.000 0.217 179 G C 0.591 175.341 174.900 -0.250 0.000 1.168 179 G CA 2.069 47.075 45.100 -0.156 0.000 0.771 179 G HN -0.415 7.831 8.290 -0.073 0.000 0.551 180 Y N 2.631 122.627 120.300 -0.507 0.000 2.224 180 Y HA -0.339 nan 4.550 nan 0.000 0.289 180 Y C 2.011 177.701 175.900 -0.351 0.000 1.146 180 Y CA 3.035 60.808 58.100 -0.545 0.000 1.182 180 Y CB 0.233 38.019 38.460 -1.125 0.000 0.983 180 Y HN 0.539 8.584 8.280 -0.392 0.000 0.524 181 G N -3.189 105.461 108.800 -0.251 0.000 2.421 181 G HA2 -0.327 nan 3.960 nan 0.000 0.217 181 G HA3 -0.327 nan 3.960 nan 0.000 0.217 181 G C 1.009 175.610 174.900 -0.498 0.000 1.143 181 G CA 1.622 46.319 45.100 -0.672 0.000 0.784 181 G HN 0.001 8.007 8.290 -0.159 0.189 0.541 182 S N 3.842 119.365 115.700 -0.295 0.000 2.351 182 S HA -0.450 nan 4.470 nan 0.000 0.220 182 S C 1.691 176.278 174.600 -0.022 0.000 1.035 182 S CA 3.855 61.995 58.200 -0.101 0.000 1.031 182 S CB -0.113 63.107 63.200 0.034 0.000 0.928 182 S HN 0.074 8.223 8.310 -0.269 0.000 0.433 183 A N -0.033 122.702 122.820 -0.142 0.000 1.898 183 A HA -0.129 nan 4.320 nan 0.000 0.216 183 A C 1.694 179.122 177.584 -0.260 0.000 1.181 183 A CA 3.273 55.224 52.037 -0.144 0.000 0.620 183 A CB -0.447 18.314 19.000 -0.397 0.000 0.819 183 A HN -0.572 7.408 8.150 -0.283 0.000 0.442 184 V N -3.168 116.520 119.914 -0.378 0.000 2.878 184 V HA -0.110 nan 4.120 nan 0.000 0.250 184 V C 1.321 177.263 176.094 -0.253 0.000 1.075 184 V CA 3.460 65.554 62.300 -0.344 0.000 1.096 184 V CB -0.535 31.010 31.823 -0.463 0.000 0.724 184 V HN -0.455 7.456 8.190 -0.465 0.000 0.467 185 K N -1.265 118.953 120.400 -0.304 0.000 2.218 185 K HA 0.069 nan 4.320 nan 0.000 0.214 185 K C 1.932 178.418 176.600 -0.189 0.000 1.033 185 K CA 1.884 58.004 56.287 -0.277 0.000 0.949 185 K CB 1.310 33.504 32.500 -0.509 0.000 0.993 185 K HN -0.373 7.545 8.250 -0.366 0.112 0.464 186 V N -0.489 119.310 119.914 -0.191 0.000 2.214 186 V HA -0.330 nan 4.120 nan 0.000 0.244 186 V C 2.354 178.421 176.094 -0.045 0.000 1.045 186 V CA 4.236 66.476 62.300 -0.099 0.000 0.993 186 V CB -0.145 31.631 31.823 -0.079 0.000 0.633 186 V HN -0.191 7.840 8.190 -0.265 0.000 0.449 187 A N -3.020 119.784 122.820 -0.027 0.000 2.119 187 A HA -0.161 nan 4.320 nan 0.000 0.217 187 A C -0.431 177.125 177.584 -0.046 0.000 1.153 187 A CA 1.080 53.116 52.037 -0.002 0.000 0.692 187 A CB 0.251 19.217 19.000 -0.056 0.000 0.799 187 A HN 0.267 8.416 8.150 -0.002 0.000 0.458 188 K N -5.362 114.951 120.400 -0.145 0.000 3.619 188 K HA -0.423 nan 4.320 nan 0.000 0.275 188 K C -0.602 175.792 176.600 -0.345 0.000 0.993 188 K CA 0.293 56.485 56.287 -0.159 0.000 0.787 188 K CB -1.932 30.553 32.500 -0.025 0.000 1.431 188 K HN -0.232 7.894 8.250 -0.140 0.040 0.451 189 V N -1.922 117.598 119.914 -0.657 0.000 2.901 189 V HA -0.081 nan 4.120 nan 0.000 0.307 189 V C -0.122 175.786 176.094 -0.311 0.000 1.084 189 V CA 1.809 63.518 62.300 -0.985 0.000 1.184 189 V CB 0.158 31.599 31.823 -0.637 0.000 0.941 189 V HN -0.270 7.631 8.190 -0.481 0.000 0.493 190 T N 2.600 117.134 114.554 -0.034 0.000 2.887 190 T HA 0.253 nan 4.350 nan 0.000 0.288 190 T C -1.228 173.516 174.700 0.073 0.000 1.021 190 T CA -2.371 59.775 62.100 0.075 0.000 1.000 190 T CB 2.610 71.576 68.868 0.162 0.000 1.034 190 T HN -0.196 8.126 8.240 0.137 0.000 0.467 191 Q N 3.827 123.651 119.800 0.040 0.000 2.262 191 Q HA -0.480 nan 4.340 nan 0.000 0.298 191 Q C 1.019 177.049 176.000 0.050 0.000 1.083 191 Q CA 1.629 57.454 55.803 0.037 0.000 0.962 191 Q CB 0.027 28.780 28.738 0.025 0.000 1.104 191 Q HN 0.393 8.680 8.270 0.029 0.000 0.376 192 G N 5.708 114.541 108.800 0.055 0.000 2.232 192 G HA2 -0.413 nan 3.960 nan 0.000 0.226 192 G HA3 -0.413 nan 3.960 nan 0.000 0.226 192 G C -0.388 174.561 174.900 0.081 0.000 0.996 192 G CA -0.330 44.803 45.100 0.056 0.000 0.626 192 G HN 1.024 9.227 8.290 0.050 0.117 0.509 193 S N 1.909 117.686 115.700 0.128 0.000 2.592 193 S HA -0.060 nan 4.470 nan 0.000 0.256 193 S C -0.470 174.228 174.600 0.164 0.000 1.369 193 S CA 1.092 59.408 58.200 0.193 0.000 0.984 193 S CB 0.796 64.239 63.200 0.404 0.000 0.919 193 S HN -0.064 8.241 8.310 0.127 0.082 0.576 194 T N 2.886 117.553 114.554 0.188 0.000 2.892 194 T HA 0.267 nan 4.350 nan 0.000 0.311 194 T C -0.918 173.905 174.700 0.205 0.000 1.033 194 T CA -0.195 61.992 62.100 0.144 0.000 0.991 194 T CB 1.141 70.063 68.868 0.091 0.000 0.981 194 T HN 0.095 8.586 8.240 0.217 -0.121 0.457 195 C N 6.686 126.118 119.300 0.219 0.000 2.365 195 C HA 1.044 nan 4.460 nan 0.000 0.349 195 C C -1.690 173.430 174.990 0.217 0.000 1.191 195 C CA -2.249 56.948 59.018 0.298 0.000 2.114 195 C CB 2.532 30.469 27.740 0.328 0.000 2.367 195 C HN 1.100 9.327 8.230 0.167 0.103 0.530 196 A N 1.849 124.835 122.820 0.277 0.000 2.393 196 A HA 0.820 nan 4.320 nan 0.000 0.306 196 A C -2.618 175.145 177.584 0.299 0.000 1.050 196 A CA -1.436 50.708 52.037 0.178 0.000 0.724 196 A CB 2.850 21.924 19.000 0.124 0.000 1.248 196 A HN 0.682 9.059 8.150 0.378 0.000 0.424 197 V N 2.067 122.054 119.914 0.122 0.000 2.376 197 V HA 0.531 nan 4.120 nan 0.000 0.287 197 V C -1.482 174.651 176.094 0.065 0.000 1.015 197 V CA -1.342 61.060 62.300 0.169 0.000 0.834 197 V CB 1.364 33.213 31.823 0.044 0.000 1.001 197 V HN 0.754 8.937 8.190 -0.012 0.000 0.428 198 F N 6.949 126.994 119.950 0.158 0.000 2.375 198 F HA 0.443 nan 4.527 nan 0.000 0.362 198 F C -0.502 175.370 175.800 0.120 0.000 1.129 198 F CA -1.296 56.783 58.000 0.131 0.000 1.154 198 F CB 0.375 39.450 39.000 0.125 0.000 1.205 198 F HN 0.325 8.985 8.300 0.600 0.000 0.513 199 G N 5.481 114.401 108.800 0.200 0.000 3.444 199 G HA2 -0.276 nan 3.960 nan 0.000 0.685 199 G HA3 -0.276 nan 3.960 nan 0.000 0.685 199 G C -2.047 172.920 174.900 0.112 0.000 1.145 199 G CA -0.355 44.839 45.100 0.157 0.000 0.973 199 G HN 0.417 8.786 8.290 0.132 0.000 0.525 200 L N 5.134 126.414 121.223 0.095 0.000 3.108 200 L HA 0.277 nan 4.340 nan 0.000 0.251 200 L C -1.154 175.751 176.870 0.059 0.000 1.315 200 L CA -1.116 53.774 54.840 0.083 0.000 1.048 200 L CB -0.174 41.955 42.059 0.118 0.000 1.432 200 L HN 0.445 9.039 8.230 0.092 -0.308 0.543 201 G N -2.235 106.598 108.800 0.054 0.000 2.641 201 G HA2 0.185 nan 3.960 nan 0.000 0.239 201 G HA3 0.185 nan 3.960 nan 0.000 0.239 201 G C 0.254 175.179 174.900 0.041 0.000 1.402 201 G CA -1.260 43.862 45.100 0.038 0.000 1.046 201 G HN -0.641 7.616 8.290 0.064 0.071 0.565 202 G N -1.071 107.748 108.800 0.032 0.000 2.476 202 G HA2 -0.320 nan 3.960 nan 0.000 0.218 202 G HA3 -0.320 nan 3.960 nan 0.000 0.218 202 G C 1.293 176.227 174.900 0.057 0.000 1.164 202 G CA 2.288 47.414 45.100 0.043 0.000 0.768 202 G HN 0.550 8.852 8.290 0.019 0.000 0.560 203 V N 1.653 121.598 119.914 0.051 0.000 2.379 203 V HA -0.316 nan 4.120 nan 0.000 0.245 203 V C 2.341 178.445 176.094 0.017 0.000 1.044 203 V CA 3.204 65.530 62.300 0.044 0.000 1.036 203 V CB -0.939 30.918 31.823 0.057 0.000 0.664 203 V HN -0.102 8.116 8.190 0.047 0.000 0.453 204 G N -0.053 108.766 108.800 0.030 0.000 2.421 204 G HA2 -0.344 nan 3.960 nan 0.000 0.216 204 G HA3 -0.344 nan 3.960 nan 0.000 0.216 204 G C 1.125 176.020 174.900 -0.008 0.000 1.171 204 G CA 2.103 47.210 45.100 0.012 0.000 0.775 204 G HN -0.283 8.036 8.290 0.047 0.000 0.543 205 L N -1.205 120.036 121.223 0.029 0.000 2.191 205 L HA -0.346 nan 4.340 nan 0.000 0.212 205 L C 2.157 179.058 176.870 0.052 0.000 1.103 205 L CA 2.753 57.618 54.840 0.043 0.000 0.769 205 L CB -0.337 41.760 42.059 0.064 0.000 0.908 205 L HN 0.439 8.694 8.230 0.042 0.000 0.438 206 S N -1.558 114.174 115.700 0.052 0.000 2.436 206 S HA -0.180 nan 4.470 nan 0.000 0.228 206 S C 1.438 176.011 174.600 -0.044 0.000 1.014 206 S CA 3.826 62.074 58.200 0.079 0.000 0.950 206 S CB -0.572 62.674 63.200 0.076 0.000 0.784 206 S HN -0.622 7.580 8.310 0.041 0.133 0.504 207 V N 3.584 123.408 119.914 -0.149 0.000 2.379 207 V HA -0.357 nan 4.120 nan 0.000 0.245 207 V C 1.145 177.055 176.094 -0.306 0.000 1.044 207 V CA 4.154 66.241 62.300 -0.355 0.000 1.036 207 V CB -0.590 30.892 31.823 -0.568 0.000 0.664 207 V HN -0.453 7.540 8.190 -0.111 0.131 0.453 208 I N -0.795 119.672 120.570 -0.170 0.000 2.264 208 I HA -0.652 nan 4.170 nan 0.000 0.248 208 I C 1.794 177.889 176.117 -0.036 0.000 1.111 208 I CA 4.611 65.856 61.300 -0.093 0.000 1.382 208 I CB -0.284 37.701 38.000 -0.025 0.000 1.060 208 I HN 0.053 8.183 8.210 -0.134 0.000 0.418 209 M N -1.860 117.758 119.600 0.030 0.000 2.175 209 M HA -0.333 nan 4.480 nan 0.000 0.264 209 M C 2.479 178.832 176.300 0.089 0.000 1.063 209 M CA 4.015 59.403 55.300 0.145 0.000 1.119 209 M CB -0.472 32.317 32.600 0.315 0.000 1.377 209 M HN -0.319 7.880 8.290 0.030 0.109 0.415 210 G N -0.593 108.140 108.800 -0.113 0.000 2.434 210 G HA2 -0.376 nan 3.960 nan 0.000 0.214 210 G HA3 -0.376 nan 3.960 nan 0.000 0.214 210 G C 0.762 175.491 174.900 -0.285 0.000 1.202 210 G CA 2.139 46.983 45.100 -0.427 0.000 0.788 210 G HN -0.318 7.791 8.290 -0.118 0.111 0.539 211 C N 2.743 121.898 119.300 -0.241 0.000 2.376 211 C HA -0.398 nan 4.460 nan 0.000 0.275 211 C C 2.352 177.292 174.990 -0.083 0.000 1.200 211 C CA 4.022 62.947 59.018 -0.155 0.000 1.756 211 C CB -1.789 25.888 27.740 -0.105 0.000 2.050 211 C HN 0.311 8.366 8.230 -0.293 0.000 0.460 212 K N -0.162 120.213 120.400 -0.042 0.000 2.147 212 K HA -0.279 nan 4.320 nan 0.000 0.205 212 K C 1.188 177.801 176.600 0.023 0.000 1.049 212 K CA 2.638 58.929 56.287 0.007 0.000 0.936 212 K CB -0.229 32.293 32.500 0.037 0.000 0.722 212 K HN -0.192 8.034 8.250 -0.049 -0.005 0.446 213 A N -1.136 121.695 122.820 0.018 0.000 1.929 213 A HA -0.113 nan 4.320 nan 0.000 0.216 213 A C 1.445 179.030 177.584 0.001 0.000 1.176 213 A CA 1.665 53.737 52.037 0.058 0.000 0.628 213 A CB -0.057 19.011 19.000 0.114 0.000 0.816 213 A HN -0.356 7.649 8.150 -0.018 0.134 0.444 214 A N -2.927 119.851 122.820 -0.070 0.000 2.066 214 A HA -0.071 nan 4.320 nan 0.000 0.218 214 A C 0.619 178.185 177.584 -0.031 0.000 1.157 214 A CA 0.526 52.517 52.037 -0.077 0.000 0.670 214 A CB 0.255 19.165 19.000 -0.151 0.000 0.804 214 A HN 0.044 8.024 8.150 -0.109 0.105 0.453 215 G N -3.323 105.470 108.800 -0.012 0.000 2.135 215 G HA2 -0.293 nan 3.960 nan 0.000 0.183 215 G HA3 -0.293 nan 3.960 nan 0.000 0.183 215 G C -0.925 173.988 174.900 0.022 0.000 1.004 215 G CA -0.418 44.689 45.100 0.011 0.000 0.677 215 G HN -0.453 7.666 8.290 -0.017 0.161 0.512 216 A N 0.530 123.361 122.820 0.018 0.000 2.540 216 A HA 0.110 nan 4.320 nan 0.000 0.239 216 A C -1.064 176.549 177.584 0.048 0.000 1.061 216 A CA 0.614 52.681 52.037 0.050 0.000 0.758 216 A CB -0.092 18.941 19.000 0.055 0.000 0.991 216 A HN -0.569 7.577 8.150 -0.006 0.000 0.502 217 A N 3.615 126.469 122.820 0.058 0.000 2.132 217 A HA 0.117 nan 4.320 nan 0.000 0.213 217 A C -0.520 177.088 177.584 0.041 0.000 1.154 217 A CA 0.849 52.912 52.037 0.044 0.000 0.753 217 A CB 1.093 20.118 19.000 0.042 0.000 0.826 217 A HN 0.617 8.685 8.150 0.074 0.126 0.469 218 R N -2.152 118.379 120.500 0.052 0.000 2.584 218 R HA 0.335 nan 4.340 nan 0.000 0.276 218 R C -2.802 173.530 176.300 0.053 0.000 1.046 218 R CA -0.330 55.795 56.100 0.041 0.000 0.906 218 R CB 3.541 33.863 30.300 0.037 0.000 1.215 218 R HN -0.383 7.904 8.270 0.070 0.025 0.449 219 I N 4.584 125.173 120.570 0.031 0.000 2.529 219 I HA 0.479 nan 4.170 nan 0.000 0.284 219 I C -1.524 174.592 176.117 -0.002 0.000 1.088 219 I CA -1.004 60.316 61.300 0.032 0.000 1.062 219 I CB 2.525 40.535 38.000 0.018 0.000 1.218 219 I HN 0.445 8.664 8.210 0.015 0.000 0.442 220 I N 6.947 127.512 120.570 -0.008 0.000 2.307 220 I HA 0.450 nan 4.170 nan 0.000 0.289 220 I C -0.549 175.511 176.117 -0.095 0.000 1.021 220 I CA -1.250 60.011 61.300 -0.066 0.000 1.224 220 I CB 0.693 38.650 38.000 -0.073 0.000 1.376 220 I HN 0.868 8.990 8.210 0.024 0.102 0.470 221 G N 7.092 115.826 108.800 -0.111 0.000 2.353 221 G HA2 0.475 nan 3.960 nan 0.000 0.284 221 G HA3 0.475 nan 3.960 nan 0.000 0.284 221 G C -2.190 172.631 174.900 -0.131 0.000 1.172 221 G CA -1.156 43.893 45.100 -0.085 0.000 0.854 221 G HN 0.165 8.379 8.290 -0.127 0.000 0.485 222 V N 4.023 123.835 119.914 -0.171 0.000 2.555 222 V HA 0.795 nan 4.120 nan 0.000 0.302 222 V C -1.816 174.300 176.094 0.037 0.000 1.038 222 V CA -1.706 60.487 62.300 -0.178 0.000 0.887 222 V CB 1.812 33.248 31.823 -0.646 0.000 0.991 222 V HN 0.955 8.938 8.190 -0.177 0.101 0.434 223 D N 5.591 126.118 120.400 0.213 0.000 2.745 223 D HA 0.227 nan 4.640 nan 0.000 0.221 223 D C -0.970 175.425 176.300 0.160 0.000 1.237 223 D CA -0.253 53.860 54.000 0.188 0.000 0.781 223 D CB 4.324 45.224 40.800 0.167 0.000 1.575 223 D HN -0.271 8.275 8.370 0.293 0.000 0.482 224 I N -4.736 115.889 120.570 0.092 0.000 3.291 224 I HA -0.023 nan 4.170 nan 0.000 0.279 224 I C -0.650 175.446 176.117 -0.035 0.000 1.294 224 I CA 0.506 61.843 61.300 0.061 0.000 1.428 224 I CB -0.009 38.033 38.000 0.069 0.000 1.070 224 I HN 0.128 8.394 8.210 0.095 0.000 0.478 225 N N 1.486 120.116 118.700 -0.115 0.000 2.678 225 N HA 0.091 nan 4.740 nan 0.000 0.231 225 N C 0.497 175.712 175.510 -0.491 0.000 1.038 225 N CA -0.947 51.981 53.050 -0.203 0.000 0.932 225 N CB 0.573 38.983 38.487 -0.129 0.000 1.176 225 N HN -0.424 8.122 8.380 -0.085 -0.218 0.511 226 K N 5.767 125.849 120.400 -0.529 0.000 2.107 226 K HA -0.421 nan 4.320 nan 0.000 0.211 226 K C 0.724 176.869 176.600 -0.758 0.000 1.049 226 K CA 3.895 59.680 56.287 -0.836 0.000 0.927 226 K CB -0.392 31.945 32.500 -0.270 0.000 0.714 226 K HN -0.325 7.747 8.250 -0.297 0.000 0.452 227 D N -1.301 118.875 120.400 -0.374 0.000 2.190 227 D HA -0.231 nan 4.640 nan 0.000 0.200 227 D C 2.179 178.369 176.300 -0.182 0.000 0.992 227 D CA 3.134 57.013 54.000 -0.202 0.000 0.854 227 D CB -0.892 39.837 40.800 -0.119 0.000 0.936 227 D HN 0.119 8.283 8.370 -0.301 0.026 0.462 228 K N -0.952 119.286 120.400 -0.271 0.000 2.362 228 K HA -0.171 nan 4.320 nan 0.000 0.200 228 K C 2.123 178.766 176.600 0.072 0.000 1.046 228 K CA 1.435 57.660 56.287 -0.103 0.000 0.952 228 K CB -0.666 31.786 32.500 -0.080 0.000 0.753 228 K HN 0.037 8.002 8.250 -0.382 0.056 0.466 229 F N -0.968 118.992 119.950 0.015 0.000 2.095 229 F HA -0.358 nan 4.527 nan 0.000 0.298 229 F C 1.594 177.402 175.800 0.014 0.000 1.104 229 F CA 1.824 59.832 58.000 0.013 0.000 1.232 229 F CB -1.629 37.378 39.000 0.013 0.000 0.987 229 F HN -0.073 7.816 8.300 -0.416 0.162 0.475 230 A N -1.738 121.202 122.820 0.200 0.000 1.883 230 A HA -0.410 nan 4.320 nan 0.000 0.217 230 A C 1.921 179.560 177.584 0.092 0.000 1.186 230 A CA 3.237 55.344 52.037 0.117 0.000 0.624 230 A CB -0.991 18.056 19.000 0.078 0.000 0.822 230 A HN -0.060 8.191 8.150 0.169 0.000 0.444 231 K N -1.020 119.431 120.400 0.084 0.000 2.057 231 K HA -0.333 nan 4.320 nan 0.000 0.207 231 K C 1.841 178.488 176.600 0.079 0.000 1.049 231 K CA 2.044 58.372 56.287 0.069 0.000 0.931 231 K CB -0.634 31.901 32.500 0.059 0.000 0.714 231 K HN -0.089 8.210 8.250 0.081 0.000 0.440 232 A N -1.242 121.641 122.820 0.105 0.000 1.851 232 A HA -0.309 nan 4.320 nan 0.000 0.216 232 A C 2.497 180.122 177.584 0.068 0.000 1.195 232 A CA 3.317 55.411 52.037 0.096 0.000 0.622 232 A CB -0.842 18.242 19.000 0.139 0.000 0.831 232 A HN -0.258 7.972 8.150 0.133 0.000 0.444 233 K N -2.084 118.356 120.400 0.068 0.000 2.103 233 K HA -0.352 nan 4.320 nan 0.000 0.207 233 K C 2.426 179.052 176.600 0.043 0.000 1.048 233 K CA 3.187 59.498 56.287 0.041 0.000 0.930 233 K CB -0.251 32.272 32.500 0.038 0.000 0.716 233 K HN 0.016 8.324 8.250 0.096 0.000 0.444 234 E N -0.849 119.383 120.200 0.052 0.000 2.058 234 E HA -0.259 nan 4.350 nan 0.000 0.194 234 E C 1.910 178.541 176.600 0.053 0.000 0.997 234 E CA 2.779 59.208 56.400 0.049 0.000 0.801 234 E CB 0.366 30.096 29.700 0.050 0.000 0.746 234 E HN -0.307 8.002 8.360 0.062 0.088 0.450 235 V N -9.966 109.984 119.914 0.060 0.000 3.041 235 V HA 0.136 nan 4.120 nan 0.000 0.260 235 V C 0.872 177.004 176.094 0.064 0.000 1.105 235 V CA 1.230 63.572 62.300 0.070 0.000 1.125 235 V CB -0.190 31.682 31.823 0.081 0.000 0.730 235 V HN -0.137 8.009 8.190 0.061 0.080 0.479 236 G N -1.939 106.890 108.800 0.048 0.000 3.987 236 G HA2 -0.153 nan 3.960 nan 0.000 0.220 236 G HA3 -0.153 nan 3.960 nan 0.000 0.220 236 G C -0.967 173.947 174.900 0.023 0.000 0.871 236 G CA 0.011 45.134 45.100 0.038 0.000 0.881 236 G HN -0.323 7.854 8.290 0.046 0.140 0.674 237 A N 0.580 123.411 122.820 0.019 0.000 2.520 237 A HA -0.025 nan 4.320 nan 0.000 0.235 237 A C -0.239 177.342 177.584 -0.005 0.000 1.065 237 A CA 1.331 53.368 52.037 0.001 0.000 0.764 237 A CB 0.439 19.435 19.000 -0.006 0.000 1.002 237 A HN -0.339 7.737 8.150 0.028 0.091 0.502 238 T N 2.314 116.859 114.554 -0.015 0.000 3.040 238 T HA 0.043 nan 4.350 nan 0.000 0.252 238 T C -0.433 174.245 174.700 -0.037 0.000 1.064 238 T CA 1.244 63.335 62.100 -0.015 0.000 1.110 238 T CB 0.420 69.285 68.868 -0.005 0.000 0.921 238 T HN 0.343 8.571 8.240 -0.020 0.000 0.480 239 E N -2.151 118.008 120.200 -0.068 0.000 2.416 239 E HA 0.232 nan 4.350 nan 0.000 0.280 239 E C -2.765 173.713 176.600 -0.205 0.000 1.055 239 E CA -1.166 55.164 56.400 -0.116 0.000 0.825 239 E CB 2.847 32.493 29.700 -0.091 0.000 1.312 239 E HN -0.585 7.735 8.360 -0.067 0.000 0.452 240 C N -0.165 118.920 119.300 -0.358 0.000 2.547 240 C HA 0.885 nan 4.460 nan 0.000 0.313 240 C C -1.053 173.529 174.990 -0.681 0.000 1.191 240 C CA -1.020 57.589 59.018 -0.683 0.000 1.474 240 C CB 1.518 28.474 27.740 -1.307 0.000 2.081 240 C HN 0.175 8.212 8.230 -0.322 0.000 0.476 241 V N 3.472 123.118 119.914 -0.446 0.000 2.769 241 V HA 0.509 nan 4.120 nan 0.000 0.312 241 V C -3.034 173.135 176.094 0.126 0.000 1.061 241 V CA -1.691 60.548 62.300 -0.101 0.000 0.931 241 V CB 3.977 35.780 31.823 -0.033 0.000 1.010 241 V HN 0.944 8.904 8.190 -0.384 0.000 0.433 242 N N 4.729 123.635 118.700 0.343 0.000 2.483 242 N HA 0.545 nan 4.740 nan 0.000 0.267 242 N C -1.042 174.675 175.510 0.345 0.000 0.998 242 N CA -3.306 49.972 53.050 0.381 0.000 0.918 242 N CB 1.983 40.707 38.487 0.395 0.000 1.215 242 N HN 0.253 8.860 8.380 0.378 0.000 0.500 243 P HA -0.395 nan 4.420 nan 0.000 0.222 243 P C 1.168 178.622 177.300 0.256 0.000 1.155 243 P CA 2.717 65.968 63.100 0.250 0.000 0.890 243 P CB 0.332 32.141 31.700 0.181 0.000 0.790 244 Q N -3.756 116.151 119.800 0.178 0.000 2.436 244 Q HA -0.245 nan 4.340 nan 0.000 0.209 244 Q C 1.465 177.501 176.000 0.060 0.000 0.965 244 Q CA 2.125 57.995 55.803 0.111 0.000 0.910 244 Q CB -0.455 28.328 28.738 0.076 0.000 0.980 244 Q HN -0.217 8.374 8.270 0.171 -0.219 0.491 245 D N -1.743 118.670 120.400 0.021 0.000 2.249 245 D HA -0.061 nan 4.640 nan 0.000 0.205 245 D C 0.042 176.137 176.300 -0.342 0.000 0.962 245 D CA 1.878 55.745 54.000 -0.222 0.000 0.860 245 D CB 0.733 41.278 40.800 -0.425 0.000 0.955 245 D HN 0.061 8.338 8.370 0.123 0.167 0.505 246 Y N -1.188 119.132 120.300 0.034 0.000 2.354 246 Y HA 0.049 nan 4.550 nan 0.000 0.322 246 Y C 0.867 176.782 175.900 0.026 0.000 1.253 246 Y CA -0.478 57.638 58.100 0.026 0.000 1.272 246 Y CB 1.087 39.562 38.460 0.025 0.000 1.255 246 Y HN -0.723 7.691 8.280 0.280 0.034 0.500 247 K N 0.379 120.883 120.400 0.173 0.000 2.358 247 K HA -0.044 nan 4.320 nan 0.000 0.197 247 K C -1.059 175.601 176.600 0.099 0.000 1.025 247 K CA 0.392 56.740 56.287 0.102 0.000 1.104 247 K CB 0.262 32.801 32.500 0.064 0.000 0.855 247 K HN 0.493 8.861 8.250 0.197 0.000 0.531 248 K N -0.841 119.637 120.400 0.129 0.000 2.378 248 K HA 0.423 nan 4.320 nan 0.000 0.252 248 K C -2.431 174.203 176.600 0.057 0.000 0.931 248 K CA -2.746 53.586 56.287 0.075 0.000 0.794 248 K CB 0.325 32.859 32.500 0.056 0.000 1.181 248 K HN -0.711 7.594 8.250 0.204 0.067 0.425 249 P HA -0.126 nan 4.420 nan 0.000 0.264 249 P C 0.474 177.771 177.300 -0.006 0.000 1.156 249 P CA 0.062 63.176 63.100 0.023 0.000 0.756 249 P CB 0.287 31.993 31.700 0.010 0.000 0.764 250 I N 2.173 122.753 120.570 0.017 0.000 2.151 250 I HA -0.529 nan 4.170 nan 0.000 0.243 250 I C 1.568 177.682 176.117 -0.006 0.000 1.080 250 I CA 3.109 64.405 61.300 -0.006 0.000 1.339 250 I CB -0.187 37.879 38.000 0.110 0.000 1.039 250 I HN 0.527 8.769 8.210 0.052 0.000 0.409 251 Q N -2.360 117.458 119.800 0.030 0.000 2.124 251 Q HA -0.344 nan 4.340 nan 0.000 0.202 251 Q C 2.197 178.178 176.000 -0.032 0.000 0.977 251 Q CA 3.552 59.363 55.803 0.013 0.000 0.850 251 Q CB -1.229 27.500 28.738 -0.016 0.000 0.901 251 Q HN 0.370 8.662 8.270 0.036 0.000 0.429 252 E N -0.026 120.149 120.200 -0.043 0.000 2.077 252 E HA -0.320 nan 4.350 nan 0.000 0.193 252 E C 2.406 178.959 176.600 -0.079 0.000 0.989 252 E CA 2.889 59.258 56.400 -0.052 0.000 0.800 252 E CB -0.370 29.308 29.700 -0.037 0.000 0.746 252 E HN -0.612 7.629 8.360 -0.032 0.100 0.452 253 V N 1.365 121.200 119.914 -0.132 0.000 2.261 253 V HA -0.355 nan 4.120 nan 0.000 0.246 253 V C 2.125 178.118 176.094 -0.168 0.000 1.047 253 V CA 4.775 66.942 62.300 -0.223 0.000 1.015 253 V CB -0.968 30.552 31.823 -0.505 0.000 0.642 253 V HN -0.272 7.767 8.190 -0.128 0.075 0.446 254 L N -2.351 118.793 121.223 -0.132 0.000 2.012 254 L HA -0.387 nan 4.340 nan 0.000 0.210 254 L C 2.349 179.183 176.870 -0.060 0.000 1.073 254 L CA 3.290 58.080 54.840 -0.084 0.000 0.748 254 L CB -2.161 39.883 42.059 -0.025 0.000 0.891 254 L HN 0.499 8.656 8.230 -0.121 0.000 0.431 255 T N -2.669 111.852 114.554 -0.056 0.000 2.684 255 T HA -0.442 nan 4.350 nan 0.000 0.267 255 T C 2.139 176.807 174.700 -0.052 0.000 1.036 255 T CA 4.181 66.248 62.100 -0.056 0.000 1.148 255 T CB -0.723 68.108 68.868 -0.062 0.000 0.863 255 T HN 0.359 8.458 8.240 -0.055 0.108 0.436 256 E N 2.945 123.113 120.200 -0.054 0.000 2.051 256 E HA -0.331 nan 4.350 nan 0.000 0.192 256 E C 2.601 179.179 176.600 -0.036 0.000 0.991 256 E CA 2.912 59.287 56.400 -0.042 0.000 0.799 256 E CB -0.047 29.630 29.700 -0.039 0.000 0.748 256 E HN -0.098 8.225 8.360 -0.062 0.000 0.449 257 M N -2.994 116.578 119.600 -0.046 0.000 2.476 257 M HA -0.104 nan 4.480 nan 0.000 0.262 257 M C 1.546 177.831 176.300 -0.025 0.000 1.079 257 M CA 2.977 58.257 55.300 -0.034 0.000 1.104 257 M CB 0.340 32.913 32.600 -0.045 0.000 1.409 257 M HN -0.075 8.177 8.290 -0.063 0.000 0.467 258 S N -1.506 114.177 115.700 -0.028 0.000 2.597 258 S HA -0.054 nan 4.470 nan 0.000 0.224 258 S C -0.351 174.239 174.600 -0.017 0.000 0.955 258 S CA -0.804 57.386 58.200 -0.017 0.000 0.933 258 S CB -0.714 62.477 63.200 -0.016 0.000 0.788 258 S HN -0.073 8.096 8.310 -0.038 0.119 0.488 259 N N 0.964 119.651 118.700 -0.021 0.000 2.681 259 N HA -0.317 nan 4.740 nan 0.000 0.259 259 N C 0.757 176.246 175.510 -0.035 0.000 1.066 259 N CA 0.630 53.667 53.050 -0.021 0.000 0.717 259 N CB -0.806 37.677 38.487 -0.008 0.000 0.885 259 N HN -0.694 7.488 8.380 -0.024 0.183 0.547 260 G N -3.091 105.680 108.800 -0.049 0.000 2.176 260 G HA2 -0.375 nan 3.960 nan 0.000 0.253 260 G HA3 -0.375 nan 3.960 nan 0.000 0.253 260 G C -1.962 172.878 174.900 -0.100 0.000 0.979 260 G CA 0.047 45.104 45.100 -0.073 0.000 0.641 260 G HN 0.560 8.823 8.290 -0.045 0.000 0.530 261 G N -4.590 104.160 108.800 -0.083 0.000 2.316 261 G HA2 -0.139 nan 3.960 nan 0.000 0.468 261 G HA3 -0.139 nan 3.960 nan 0.000 0.468 261 G C -1.697 173.160 174.900 -0.071 0.000 1.523 261 G CA -0.608 44.433 45.100 -0.098 0.000 0.972 261 G HN -1.220 6.876 8.290 -0.060 0.158 0.667 262 V N -5.834 114.050 119.914 -0.050 0.000 2.953 262 V HA 0.572 nan 4.120 nan 0.000 0.304 262 V C -0.383 175.681 176.094 -0.049 0.000 1.073 262 V CA -2.135 60.161 62.300 -0.008 0.000 1.064 262 V CB 1.676 33.527 31.823 0.046 0.000 1.047 262 V HN -0.070 8.088 8.190 -0.053 0.000 0.478 263 D N 3.857 124.243 120.400 -0.023 0.000 2.137 263 D HA 0.071 nan 4.640 nan 0.000 0.202 263 D C -0.172 175.827 176.300 -0.502 0.000 0.970 263 D CA 4.226 58.100 54.000 -0.211 0.000 0.837 263 D CB 1.335 42.021 40.800 -0.190 0.000 0.981 263 D HN 0.166 8.569 8.370 0.054 0.000 0.475 264 F N -3.315 116.642 119.950 0.011 0.000 2.579 264 F HA 0.420 nan 4.527 nan 0.000 0.325 264 F C -1.988 173.739 175.800 -0.123 0.000 1.162 264 F CA -1.546 56.394 58.000 -0.100 0.000 0.946 264 F CB 3.119 42.081 39.000 -0.062 0.000 1.211 264 F HN -0.723 7.698 8.300 0.201 0.000 0.447 265 S N 1.407 117.068 115.700 -0.064 0.000 2.578 265 S HA 0.900 nan 4.470 nan 0.000 0.301 265 S C -1.257 173.216 174.600 -0.212 0.000 1.091 265 S CA -1.798 56.424 58.200 0.036 0.000 1.032 265 S CB 2.084 65.342 63.200 0.097 0.000 1.064 265 S HN 0.678 8.912 8.310 -0.126 0.000 0.508 266 F N -0.909 119.192 119.950 0.251 0.000 2.565 266 F HA 0.517 nan 4.527 nan 0.000 0.313 266 F C -1.430 174.519 175.800 0.248 0.000 1.091 266 F CA -0.951 57.169 58.000 0.200 0.000 0.915 266 F CB 3.996 43.084 39.000 0.146 0.000 1.208 266 F HN 0.440 9.083 8.300 0.572 0.000 0.453 267 E N 2.793 123.189 120.200 0.327 0.000 2.141 267 E HA 0.508 nan 4.350 nan 0.000 0.259 267 E C -1.497 175.239 176.600 0.226 0.000 0.883 267 E CA -1.292 55.249 56.400 0.234 0.000 0.744 267 E CB 1.591 31.347 29.700 0.092 0.000 1.150 267 E HN 0.307 8.837 8.360 0.283 0.000 0.420 268 V N 7.314 127.375 119.914 0.245 0.000 2.611 268 V HA 0.357 nan 4.120 nan 0.000 0.286 268 V C -1.285 174.909 176.094 0.165 0.000 1.118 268 V CA -1.008 61.400 62.300 0.180 0.000 1.334 268 V CB -1.820 30.093 31.823 0.150 0.000 1.555 268 V HN 0.854 9.127 8.190 0.309 0.103 0.594 269 I N -0.447 120.221 120.570 0.163 0.000 3.990 269 I HA 0.249 nan 4.170 nan 0.000 0.275 269 I C 0.016 176.226 176.117 0.156 0.000 1.157 269 I CA 0.226 61.620 61.300 0.156 0.000 1.338 269 I CB 3.299 41.396 38.000 0.162 0.000 1.588 269 I HN -0.474 8.039 8.210 0.156 -0.209 0.441 270 G N -2.200 106.673 108.800 0.122 0.000 2.163 270 G HA2 -0.350 nan 3.960 nan 0.000 0.213 270 G HA3 -0.350 nan 3.960 nan 0.000 0.213 270 G C -0.741 174.187 174.900 0.047 0.000 0.991 270 G CA -0.425 44.729 45.100 0.091 0.000 0.653 270 G HN -0.341 8.511 8.290 0.112 -0.495 0.518 271 R N -0.196 120.339 120.500 0.059 0.000 2.410 271 R HA 0.129 nan 4.340 nan 0.000 0.288 271 R C -0.162 176.154 176.300 0.026 0.000 1.051 271 R CA -1.090 55.035 56.100 0.041 0.000 1.021 271 R CB 0.918 31.253 30.300 0.058 0.000 1.032 271 R HN -0.638 7.851 8.270 0.078 -0.172 0.481 272 L N 3.475 124.709 121.223 0.018 0.000 1.976 272 L HA -0.356 nan 4.340 nan 0.000 0.209 272 L C 1.144 178.029 176.870 0.026 0.000 1.071 272 L CA 3.432 58.285 54.840 0.022 0.000 0.746 272 L CB -0.911 41.157 42.059 0.016 0.000 0.890 272 L HN 0.529 8.767 8.230 0.015 0.000 0.432 273 D N -4.380 116.031 120.400 0.018 0.000 2.158 273 D HA -0.311 nan 4.640 nan 0.000 0.197 273 D C 1.836 178.118 176.300 -0.030 0.000 0.995 273 D CA 3.391 57.394 54.000 0.006 0.000 0.846 273 D CB -1.395 39.415 40.800 0.016 0.000 0.941 273 D HN 0.377 8.759 8.370 0.020 0.000 0.456 274 T N -6.608 107.923 114.554 -0.038 0.000 3.088 274 T HA -0.037 nan 4.350 nan 0.000 0.259 274 T C 1.793 176.357 174.700 -0.227 0.000 1.122 274 T CA 1.687 63.698 62.100 -0.150 0.000 1.095 274 T CB -0.728 68.114 68.868 -0.045 0.000 0.930 274 T HN 0.071 8.291 8.240 -0.003 0.018 0.508 275 M N 1.502 121.067 119.600 -0.058 0.000 2.288 275 M HA -0.249 nan 4.480 nan 0.000 0.266 275 M C 1.682 178.040 176.300 0.096 0.000 1.072 275 M CA 3.716 59.049 55.300 0.055 0.000 1.132 275 M CB 0.165 32.843 32.600 0.130 0.000 1.386 275 M HN -0.241 7.864 8.290 -0.014 0.177 0.432 276 V N -0.797 119.126 119.914 0.014 0.000 2.302 276 V HA -0.392 nan 4.120 nan 0.000 0.243 276 V C 1.761 177.732 176.094 -0.205 0.000 1.036 276 V CA 4.727 66.975 62.300 -0.087 0.000 1.020 276 V CB -1.044 30.749 31.823 -0.051 0.000 0.657 276 V HN -0.435 7.761 8.190 0.010 0.000 0.453 277 T N 1.169 115.605 114.554 -0.196 0.000 2.737 277 T HA -0.373 nan 4.350 nan 0.000 0.269 277 T C 1.530 176.030 174.700 -0.333 0.000 1.040 277 T CA 5.016 66.984 62.100 -0.220 0.000 1.142 277 T CB -0.662 68.090 68.868 -0.194 0.000 0.861 277 T HN 0.027 8.177 8.240 -0.151 0.000 0.456 278 A N 0.323 122.816 122.820 -0.547 0.000 2.014 278 A HA -0.062 nan 4.320 nan 0.000 0.218 278 A C 1.455 178.891 177.584 -0.246 0.000 1.163 278 A CA 2.714 54.428 52.037 -0.538 0.000 0.652 278 A CB -0.860 17.766 19.000 -0.623 0.000 0.808 278 A HN -0.348 7.479 8.150 -0.505 0.020 0.449 279 L N -1.452 119.581 121.223 -0.317 0.000 2.044 279 L HA -0.243 nan 4.340 nan 0.000 0.205 279 L C 2.432 179.091 176.870 -0.351 0.000 1.075 279 L CA 2.923 57.482 54.840 -0.468 0.000 0.747 279 L CB -0.191 41.343 42.059 -0.874 0.000 0.903 279 L HN 0.012 7.904 8.230 -0.318 0.148 0.435 280 S N -0.079 115.447 115.700 -0.289 0.000 2.423 280 S HA -0.257 nan 4.470 nan 0.000 0.231 280 S C 1.838 176.352 174.600 -0.143 0.000 1.014 280 S CA 3.215 61.290 58.200 -0.208 0.000 0.965 280 S CB -0.298 62.800 63.200 -0.169 0.000 0.785 280 S HN 0.234 8.364 8.310 -0.300 0.000 0.495 281 C N -2.473 116.769 119.300 -0.098 0.000 2.539 281 C HA 0.230 nan 4.460 nan 0.000 0.271 281 C C -0.205 174.752 174.990 -0.054 0.000 1.412 281 C CA -1.831 57.167 59.018 -0.033 0.000 1.729 281 C CB -2.050 25.742 27.740 0.086 0.000 1.739 281 C HN -0.419 7.722 8.230 -0.112 0.022 0.570 282 C N -0.236 118.999 119.300 -0.109 0.000 2.365 282 C HA 0.378 nan 4.460 nan 0.000 0.349 282 C C -0.972 173.899 174.990 -0.198 0.000 1.191 282 C CA -3.172 55.766 59.018 -0.134 0.000 2.114 282 C CB 2.307 29.960 27.740 -0.144 0.000 2.367 282 C HN -0.600 7.476 8.230 -0.144 0.068 0.530 283 Q N 2.952 122.600 119.800 -0.254 0.000 2.320 283 Q HA -0.288 nan 4.340 nan 0.000 0.311 283 Q C 1.476 177.249 176.000 -0.379 0.000 1.083 283 Q CA 1.247 56.813 55.803 -0.395 0.000 1.001 283 Q CB 0.054 28.358 28.738 -0.724 0.000 1.074 283 Q HN 0.616 8.645 8.270 -0.224 0.107 0.379 284 E N 5.501 125.517 120.200 -0.306 0.000 2.171 284 E HA -0.452 nan 4.350 nan 0.000 0.197 284 E C -0.394 176.069 176.600 -0.228 0.000 0.997 284 E CA 3.432 59.691 56.400 -0.234 0.000 0.810 284 E CB -0.567 29.023 29.700 -0.184 0.000 0.738 284 E HN 0.674 8.867 8.360 -0.278 0.000 0.467 285 A N -3.137 119.496 122.820 -0.312 0.000 2.220 285 A HA -0.034 nan 4.320 nan 0.000 0.211 285 A C -0.271 177.264 177.584 -0.083 0.000 1.176 285 A CA 0.845 52.767 52.037 -0.190 0.000 0.834 285 A CB 0.327 19.252 19.000 -0.126 0.000 0.868 285 A HN -0.040 7.991 8.150 -0.447 -0.149 0.488 286 Y N -7.850 112.382 120.300 -0.113 0.000 2.957 286 Y HA 0.289 nan 4.550 nan 0.000 0.274 286 Y C 0.028 175.809 175.900 -0.198 0.000 1.065 286 Y CA -2.293 55.726 58.100 -0.134 0.000 1.273 286 Y CB -0.335 38.050 38.460 -0.125 0.000 1.358 286 Y HN -0.582 7.384 8.280 -0.525 0.000 0.585 287 G N 1.646 110.345 108.800 -0.169 0.000 2.527 287 G HA2 0.115 nan 3.960 nan 0.000 0.248 287 G HA3 0.115 nan 3.960 nan 0.000 0.248 287 G C -2.753 172.049 174.900 -0.163 0.000 1.231 287 G CA -0.095 44.886 45.100 -0.199 0.000 0.838 287 G HN 0.048 8.114 8.290 -0.254 0.071 0.570 288 V N 0.926 120.727 119.914 -0.188 0.000 2.531 288 V HA 0.602 nan 4.120 nan 0.000 0.301 288 V C -1.467 174.582 176.094 -0.075 0.000 1.034 288 V CA -1.532 60.721 62.300 -0.080 0.000 0.865 288 V CB 2.212 34.043 31.823 0.012 0.000 0.995 288 V HN -0.172 7.851 8.190 -0.278 0.000 0.424 289 S N 4.519 120.201 115.700 -0.030 0.000 2.519 289 S HA 0.739 nan 4.470 nan 0.000 0.309 289 S C -2.027 172.646 174.600 0.122 0.000 1.100 289 S CA -1.906 56.281 58.200 -0.022 0.000 1.059 289 S CB 2.011 65.166 63.200 -0.075 0.000 1.008 289 S HN 0.624 8.950 8.310 0.026 0.000 0.478 290 V N 7.932 127.818 119.914 -0.045 0.000 2.370 290 V HA 0.566 nan 4.120 nan 0.000 0.283 290 V C -1.096 175.048 176.094 0.083 0.000 1.023 290 V CA -1.291 61.015 62.300 0.009 0.000 0.857 290 V CB 1.293 33.078 31.823 -0.064 0.000 0.985 290 V HN 0.501 8.547 8.190 -0.240 0.000 0.443 291 I N 6.196 126.795 120.570 0.047 0.000 2.352 291 I HA 0.497 nan 4.170 nan 0.000 0.290 291 I C -1.437 174.699 176.117 0.032 0.000 1.036 291 I CA -0.008 61.313 61.300 0.036 0.000 1.336 291 I CB 0.970 38.929 38.000 -0.069 0.000 1.407 291 I HN 0.599 8.689 8.210 -0.020 0.107 0.497 292 V N 7.502 127.471 119.914 0.091 0.000 3.307 292 V HA 0.204 nan 4.120 nan 0.000 0.244 292 V C 0.567 176.714 176.094 0.087 0.000 1.196 292 V CA 0.220 62.576 62.300 0.093 0.000 1.132 292 V CB 0.655 32.561 31.823 0.138 0.000 0.875 292 V HN 0.611 8.875 8.190 0.122 0.000 0.468 293 G N 0.429 109.289 108.800 0.099 0.000 2.614 293 G HA2 -0.077 nan 3.960 nan 0.000 0.239 293 G HA3 -0.077 nan 3.960 nan 0.000 0.239 293 G C -0.868 174.080 174.900 0.080 0.000 1.240 293 G CA -0.399 44.768 45.100 0.111 0.000 0.842 293 G HN -0.342 8.134 8.290 0.108 -0.121 0.584 294 V N 3.135 123.119 119.914 0.117 0.000 2.350 294 V HA 0.242 nan 4.120 nan 0.000 0.276 294 V C -1.493 174.596 176.094 -0.009 0.000 1.028 294 V CA -3.605 58.737 62.300 0.070 0.000 0.860 294 V CB 1.058 32.970 31.823 0.147 0.000 0.990 294 V HN 0.320 8.625 8.190 0.191 0.000 0.453 295 P HA 0.372 nan 4.420 nan 0.000 0.274 295 P C -2.453 174.781 177.300 -0.112 0.000 1.246 295 P CA -2.594 60.462 63.100 -0.073 0.000 0.795 295 P CB -0.140 31.527 31.700 -0.054 0.000 1.006 296 P HA -0.158 nan 4.420 nan 0.000 0.263 296 P C -0.865 176.399 177.300 -0.060 0.000 1.247 296 P CA 0.204 63.244 63.100 -0.099 0.000 0.876 296 P CB -0.197 31.463 31.700 -0.067 0.000 0.928 297 D N 6.162 126.530 120.400 -0.053 0.000 3.784 297 D HA -0.499 nan 4.640 nan 0.000 0.474 297 D C 0.216 176.502 176.300 -0.023 0.000 0.598 297 D CA 2.447 56.432 54.000 -0.026 0.000 1.028 297 D CB -0.021 40.771 40.800 -0.014 0.000 0.299 297 D HN 0.187 8.515 8.370 -0.071 0.000 0.235 298 S N 2.907 118.597 115.700 -0.017 0.000 4.120 298 S HA 0.191 nan 4.470 nan 0.000 0.196 298 S C -1.245 173.345 174.600 -0.016 0.000 1.447 298 S CA 0.628 58.819 58.200 -0.015 0.000 0.939 298 S CB -0.552 62.642 63.200 -0.009 0.000 1.496 298 S HN 0.318 8.620 8.310 -0.014 0.000 0.460 299 Q N 1.061 120.848 119.800 -0.022 0.000 2.353 299 Q HA 0.158 nan 4.340 nan 0.000 0.268 299 Q C -1.199 174.789 176.000 -0.020 0.000 1.045 299 Q CA -0.494 55.298 55.803 -0.018 0.000 0.811 299 Q CB 3.020 31.746 28.738 -0.019 0.000 1.305 299 Q HN -0.596 7.598 8.270 -0.028 0.059 0.447 300 N N 2.635 121.328 118.700 -0.012 0.000 2.399 300 N HA 0.186 nan 4.740 nan 0.000 0.295 300 N C -1.135 174.376 175.510 0.002 0.000 1.048 300 N CA -0.217 52.827 53.050 -0.010 0.000 0.886 300 N CB 1.553 40.036 38.487 -0.006 0.000 1.185 300 N HN 0.205 8.580 8.380 -0.008 0.000 0.487 301 L N 0.858 122.087 121.223 0.010 0.000 2.322 301 L HA 0.299 nan 4.340 nan 0.000 0.279 301 L C 0.120 177.020 176.870 0.050 0.000 1.036 301 L CA -0.490 54.371 54.840 0.035 0.000 0.807 301 L CB 0.827 42.923 42.059 0.060 0.000 1.226 301 L HN 0.013 8.242 8.230 -0.001 0.000 0.433 302 S N 2.741 118.468 115.700 0.045 0.000 2.480 302 S HA 0.276 nan 4.470 nan 0.000 0.286 302 S C -0.936 173.692 174.600 0.047 0.000 1.180 302 S CA -0.061 58.163 58.200 0.040 0.000 1.075 302 S CB 0.658 63.870 63.200 0.021 0.000 0.996 302 S HN 0.064 8.397 8.310 0.038 0.000 0.487 303 M N 3.243 122.873 119.600 0.050 0.000 2.465 303 M HA 0.093 nan 4.480 nan 0.000 0.284 303 M C -2.390 173.913 176.300 0.005 0.000 1.212 303 M CA 0.266 55.581 55.300 0.026 0.000 0.910 303 M CB 2.920 35.557 32.600 0.062 0.000 1.725 303 M HN 0.066 8.387 8.290 0.052 0.000 0.477 304 N N 4.934 123.615 118.700 -0.032 0.000 2.405 304 N HA 0.188 nan 4.740 nan 0.000 0.260 304 N C -0.376 175.108 175.510 -0.044 0.000 1.152 304 N CA -2.168 50.861 53.050 -0.035 0.000 0.948 304 N CB 0.708 39.166 38.487 -0.048 0.000 1.111 304 N HN 0.401 8.751 8.380 -0.051 0.000 0.485 305 P HA -0.223 nan 4.420 nan 0.000 0.221 305 P C 1.121 178.399 177.300 -0.038 0.000 1.145 305 P CA 1.693 64.784 63.100 -0.015 0.000 0.795 305 P CB 0.383 32.086 31.700 0.005 0.000 0.775 306 M N -1.412 118.161 119.600 -0.045 0.000 2.202 306 M HA -0.318 nan 4.480 nan 0.000 0.262 306 M C 1.827 178.081 176.300 -0.077 0.000 1.063 306 M CA 2.641 57.910 55.300 -0.052 0.000 1.097 306 M CB -0.857 31.714 32.600 -0.048 0.000 1.382 306 M HN -0.290 8.177 8.290 -0.042 -0.202 0.413 307 L N -1.466 119.694 121.223 -0.105 0.000 2.089 307 L HA -0.345 nan 4.340 nan 0.000 0.213 307 L C 2.552 179.331 176.870 -0.152 0.000 1.079 307 L CA 3.706 58.454 54.840 -0.155 0.000 0.758 307 L CB -0.757 41.167 42.059 -0.225 0.000 0.891 307 L HN -0.229 7.926 8.230 -0.099 0.015 0.433 308 L N -3.386 117.769 121.223 -0.113 0.000 2.354 308 L HA -0.205 nan 4.340 nan 0.000 0.212 308 L C 2.446 179.285 176.870 -0.052 0.000 1.091 308 L CA 1.903 56.696 54.840 -0.078 0.000 0.828 308 L CB -0.282 41.763 42.059 -0.023 0.000 0.973 308 L HN -0.241 7.796 8.230 -0.094 0.136 0.461 309 L N 0.604 121.800 121.223 -0.046 0.000 2.079 309 L HA -0.419 nan 4.340 nan 0.000 0.210 309 L C 1.610 178.455 176.870 -0.042 0.000 1.081 309 L CA 3.047 57.866 54.840 -0.035 0.000 0.752 309 L CB -0.195 41.846 42.059 -0.031 0.000 0.896 309 L HN -0.193 7.918 8.230 -0.049 0.089 0.433 310 S N -2.909 112.755 115.700 -0.061 0.000 2.419 310 S HA -0.233 nan 4.470 nan 0.000 0.235 310 S C 0.636 175.197 174.600 -0.064 0.000 1.019 310 S CA 2.009 60.168 58.200 -0.069 0.000 0.982 310 S CB 0.446 63.589 63.200 -0.095 0.000 0.789 310 S HN -0.259 8.001 8.310 -0.071 0.007 0.490 311 G N -2.838 105.925 108.800 -0.061 0.000 2.559 311 G HA2 -0.263 nan 3.960 nan 0.000 0.202 311 G HA3 -0.263 nan 3.960 nan 0.000 0.202 311 G C -0.989 173.879 174.900 -0.052 0.000 0.992 311 G CA -0.486 44.588 45.100 -0.043 0.000 0.764 311 G HN -0.612 7.493 8.290 -0.065 0.146 0.525 312 R N 0.591 121.039 120.500 -0.088 0.000 2.643 312 R HA 0.099 nan 4.340 nan 0.000 0.270 312 R C -0.803 175.467 176.300 -0.050 0.000 1.061 312 R CA 0.658 56.695 56.100 -0.104 0.000 1.107 312 R CB 0.588 30.782 30.300 -0.177 0.000 0.999 312 R HN -0.369 7.840 8.270 -0.101 0.000 0.460 313 T N 4.608 119.146 114.554 -0.028 0.000 2.809 313 T HA 0.344 nan 4.350 nan 0.000 0.284 313 T C -1.585 173.182 174.700 0.112 0.000 0.992 313 T CA -1.506 60.620 62.100 0.044 0.000 0.957 313 T CB 1.615 70.505 68.868 0.038 0.000 0.942 313 T HN 0.296 8.502 8.240 -0.057 0.000 0.439 314 W N 8.164 129.433 121.300 -0.051 0.000 2.349 314 W HA 0.490 nan 4.660 nan 0.000 0.309 314 W C -1.288 175.202 176.519 -0.049 0.000 1.083 314 W CA -2.972 54.338 57.345 -0.058 0.000 1.224 314 W CB 0.742 30.168 29.460 -0.056 0.000 1.256 314 W HN 0.399 8.737 8.180 0.263 0.000 0.461 315 K N 5.043 125.541 120.400 0.163 0.000 2.306 315 K HA 0.565 nan 4.320 nan 0.000 0.236 315 K C -1.242 175.300 176.600 -0.098 0.000 1.013 315 K CA -1.395 54.894 56.287 0.004 0.000 0.857 315 K CB 3.939 36.451 32.500 0.021 0.000 1.214 315 K HN 0.901 9.204 8.250 0.272 0.110 0.449 316 G N -2.075 106.656 108.800 -0.116 0.000 2.696 316 G HA2 0.838 nan 3.960 nan 0.000 0.295 316 G HA3 0.838 nan 3.960 nan 0.000 0.295 316 G C -2.259 172.575 174.900 -0.110 0.000 1.398 316 G CA -0.218 44.796 45.100 -0.143 0.000 0.920 316 G HN -0.047 8.187 8.290 -0.093 0.000 0.492 317 A N 3.163 125.924 122.820 -0.098 0.000 2.605 317 A HA 0.347 nan 4.320 nan 0.000 0.294 317 A C -1.968 175.572 177.584 -0.074 0.000 1.062 317 A CA 0.197 52.177 52.037 -0.095 0.000 0.682 317 A CB 2.842 21.803 19.000 -0.066 0.000 1.278 317 A HN -0.245 7.855 8.150 -0.083 0.000 0.410 318 I N 0.211 120.734 120.570 -0.078 0.000 2.465 318 I HA 0.262 nan 4.170 nan 0.000 0.291 318 I C -0.006 176.219 176.117 0.179 0.000 1.014 318 I CA -0.394 60.921 61.300 0.025 0.000 1.093 318 I CB 2.709 40.636 38.000 -0.121 0.000 1.267 318 I HN 0.501 8.647 8.210 -0.106 0.000 0.431 319 F N 7.349 127.367 119.950 0.114 0.000 3.057 319 F HA -0.369 nan 4.527 nan 0.000 0.287 319 F C 0.177 176.045 175.800 0.113 0.000 0.834 319 F CA 0.185 58.282 58.000 0.162 0.000 1.147 319 F CB -0.547 38.442 39.000 -0.017 0.000 1.245 319 F HN 0.797 9.338 8.300 0.401 0.000 0.509 320 G N -3.327 105.414 108.800 -0.098 0.000 2.258 320 G HA2 -0.471 nan 3.960 nan 0.000 0.274 320 G HA3 -0.471 nan 3.960 nan 0.000 0.274 320 G C 0.539 175.165 174.900 -0.457 0.000 1.021 320 G CA 0.310 45.222 45.100 -0.314 0.000 0.798 320 G HN 0.208 8.472 8.290 0.014 0.034 0.507 321 G N -3.337 105.346 108.800 -0.196 0.000 2.189 321 G HA2 -0.469 nan 3.960 nan 0.000 0.267 321 G HA3 -0.469 nan 3.960 nan 0.000 0.267 321 G C 0.012 174.859 174.900 -0.089 0.000 0.975 321 G CA 0.130 45.145 45.100 -0.142 0.000 0.644 321 G HN -0.416 7.799 8.290 -0.059 0.039 0.537 322 F N 1.129 121.080 119.950 0.001 0.000 2.529 322 F HA -0.170 nan 4.527 nan 0.000 0.365 322 F C -0.030 175.908 175.800 0.230 0.000 1.102 322 F CA -0.013 58.025 58.000 0.062 0.000 1.271 322 F CB 0.323 39.268 39.000 -0.092 0.000 1.120 322 F HN -0.614 7.441 8.300 -0.264 0.087 0.579 323 K N 5.133 125.758 120.400 0.374 0.000 2.292 323 K HA 0.010 nan 4.320 nan 0.000 0.290 323 K C 0.798 177.547 176.600 0.249 0.000 1.083 323 K CA -0.214 56.217 56.287 0.240 0.000 0.918 323 K CB 0.034 32.626 32.500 0.152 0.000 1.089 323 K HN 0.038 8.512 8.250 0.373 0.000 0.473 324 S N 7.714 123.534 115.700 0.200 0.000 2.433 324 S HA -0.553 nan 4.470 nan 0.000 0.270 324 S C 1.438 176.076 174.600 0.062 0.000 1.068 324 S CA 3.984 62.225 58.200 0.069 0.000 1.375 324 S CB -0.171 62.910 63.200 -0.200 0.000 1.255 324 S HN 0.447 8.857 8.310 0.166 0.000 0.442 325 K N -0.886 119.521 120.400 0.011 0.000 2.113 325 K HA -0.325 nan 4.320 nan 0.000 0.208 325 K C 1.317 177.941 176.600 0.039 0.000 1.047 325 K CA 2.717 59.014 56.287 0.016 0.000 0.928 325 K CB -0.024 32.475 32.500 -0.002 0.000 0.716 325 K HN -0.381 7.964 8.250 -0.011 -0.102 0.446 326 D N -3.846 116.587 120.400 0.055 0.000 2.249 326 D HA 0.070 nan 4.640 nan 0.000 0.205 326 D C 1.855 178.191 176.300 0.061 0.000 0.962 326 D CA 1.890 55.923 54.000 0.056 0.000 0.860 326 D CB -0.047 40.787 40.800 0.057 0.000 0.955 326 D HN -0.666 7.916 8.370 0.063 -0.174 0.505 327 S N 1.374 117.122 115.700 0.080 0.000 2.336 327 S HA -0.117 nan 4.470 nan 0.000 0.216 327 S C 2.001 176.578 174.600 -0.038 0.000 1.032 327 S CA 3.285 61.491 58.200 0.010 0.000 0.973 327 S CB 0.049 63.251 63.200 0.004 0.000 0.888 327 S HN -0.156 8.135 8.310 0.116 0.089 0.455 328 V N 2.113 122.054 119.914 0.044 0.000 2.231 328 V HA -0.329 nan 4.120 nan 0.000 0.250 328 V C -0.848 175.276 176.094 0.050 0.000 1.058 328 V CA 6.174 68.514 62.300 0.067 0.000 1.022 328 V CB -2.776 29.114 31.823 0.111 0.000 0.640 328 V HN -0.201 8.053 8.190 0.107 0.000 0.445 329 P HA -0.289 nan 4.420 nan 0.000 0.215 329 P C 1.644 178.974 177.300 0.050 0.000 1.157 329 P CA 3.237 66.365 63.100 0.046 0.000 0.874 329 P CB -0.574 31.149 31.700 0.038 0.000 0.790 330 K N -2.640 117.784 120.400 0.041 0.000 2.097 330 K HA -0.259 nan 4.320 nan 0.000 0.206 330 K C 2.796 179.440 176.600 0.073 0.000 1.049 330 K CA 3.262 59.578 56.287 0.049 0.000 0.933 330 K CB -0.353 32.173 32.500 0.044 0.000 0.717 330 K HN -0.692 7.577 8.250 0.033 0.000 0.442 331 L N -0.494 120.761 121.223 0.054 0.000 2.056 331 L HA -0.329 nan 4.340 nan 0.000 0.207 331 L C 2.062 179.078 176.870 0.244 0.000 1.078 331 L CA 3.127 58.046 54.840 0.131 0.000 0.749 331 L CB 0.016 42.074 42.059 -0.000 0.000 0.901 331 L HN 0.082 8.214 8.230 0.009 0.103 0.433 332 V N -0.813 119.195 119.914 0.157 0.000 2.287 332 V HA -0.535 nan 4.120 nan 0.000 0.248 332 V C 1.737 177.914 176.094 0.139 0.000 1.053 332 V CA 4.456 66.849 62.300 0.156 0.000 1.027 332 V CB -1.259 30.624 31.823 0.101 0.000 0.646 332 V HN 0.159 8.413 8.190 0.107 0.000 0.447 333 A N -1.597 121.278 122.820 0.092 0.000 1.917 333 A HA -0.444 nan 4.320 nan 0.000 0.219 333 A C 1.760 179.358 177.584 0.024 0.000 1.182 333 A CA 3.588 55.655 52.037 0.048 0.000 0.633 333 A CB -0.952 18.074 19.000 0.042 0.000 0.819 333 A HN 0.010 8.213 8.150 0.088 0.000 0.448 334 D N -1.831 118.615 120.400 0.076 0.000 2.178 334 D HA -0.239 nan 4.640 nan 0.000 0.201 334 D C 1.698 177.859 176.300 -0.231 0.000 0.980 334 D CA 3.168 57.192 54.000 0.040 0.000 0.842 334 D CB -0.452 40.510 40.800 0.270 0.000 0.948 334 D HN -0.411 7.944 8.370 0.132 0.094 0.472 335 F N 1.503 121.166 119.950 -0.480 0.000 2.075 335 F HA -0.301 nan 4.527 nan 0.000 0.297 335 F C 1.853 177.379 175.800 -0.458 0.000 1.113 335 F CA 3.028 60.526 58.000 -0.837 0.000 1.218 335 F CB 0.090 38.800 39.000 -0.483 0.000 0.984 335 F HN -0.773 7.449 8.300 0.073 0.121 0.472 336 M N -1.044 118.385 119.600 -0.285 0.000 2.106 336 M HA -0.470 nan 4.480 nan 0.000 0.259 336 M C 2.224 178.337 176.300 -0.311 0.000 1.068 336 M CA 1.821 56.931 55.300 -0.316 0.000 1.100 336 M CB -1.635 30.891 32.600 -0.123 0.000 1.351 336 M HN -0.105 8.154 8.290 -0.052 0.000 0.404 337 A N -4.515 118.166 122.820 -0.232 0.000 2.248 337 A HA -0.179 nan 4.320 nan 0.000 0.210 337 A C -0.381 177.071 177.584 -0.219 0.000 1.174 337 A CA 0.727 52.658 52.037 -0.176 0.000 0.750 337 A CB -0.627 18.313 19.000 -0.101 0.000 0.780 337 A HN -0.152 7.807 8.150 -0.188 0.078 0.478 338 K N -5.849 114.336 120.400 -0.358 0.000 3.161 338 K HA -0.304 nan 4.320 nan 0.000 0.270 338 K C 0.254 176.717 176.600 -0.228 0.000 1.115 338 K CA 1.027 57.105 56.287 -0.349 0.000 0.789 338 K CB -2.219 30.133 32.500 -0.246 0.000 1.256 338 K HN -0.133 7.610 8.250 -0.466 0.228 0.492 339 K N -2.375 117.871 120.400 -0.257 0.000 2.365 339 K HA -0.054 nan 4.320 nan 0.000 0.197 339 K C -0.443 176.207 176.600 0.084 0.000 1.042 339 K CA 1.306 57.561 56.287 -0.053 0.000 0.987 339 K CB 0.869 33.394 32.500 0.042 0.000 0.779 339 K HN -0.147 7.858 8.250 -0.386 0.013 0.484 340 F N -6.396 113.560 119.950 0.010 0.000 2.877 340 F HA 0.264 nan 4.527 nan 0.000 0.319 340 F C -2.144 173.668 175.800 0.021 0.000 1.174 340 F CA -3.167 54.837 58.000 0.007 0.000 0.903 340 F CB 2.008 40.973 39.000 -0.059 0.000 1.357 340 F HN -0.899 7.016 8.300 -0.573 0.042 0.472 341 A N -0.009 122.978 122.820 0.280 0.000 2.398 341 A HA 0.290 nan 4.320 nan 0.000 0.301 341 A C -1.437 176.235 177.584 0.146 0.000 1.041 341 A CA -0.449 51.714 52.037 0.209 0.000 0.711 341 A CB 2.067 21.134 19.000 0.111 0.000 1.240 341 A HN 0.275 8.642 8.150 0.361 0.000 0.420 342 L N 0.880 122.160 121.223 0.096 0.000 2.477 342 L HA 0.049 nan 4.340 nan 0.000 0.220 342 L C 1.352 178.221 176.870 -0.002 0.000 1.106 342 L CA 0.535 55.323 54.840 -0.087 0.000 0.851 342 L CB -0.191 41.682 42.059 -0.310 0.000 0.994 342 L HN 0.453 8.868 8.230 0.309 0.000 0.462 343 D N 0.206 120.641 120.400 0.057 0.000 2.127 343 D HA -0.245 nan 4.640 nan 0.000 0.190 343 D C 0.154 176.473 176.300 0.032 0.000 1.000 343 D CA 5.263 59.289 54.000 0.043 0.000 0.839 343 D CB -2.226 38.604 40.800 0.049 0.000 0.955 343 D HN 0.397 8.793 8.370 0.110 0.040 0.446 344 P HA -0.179 nan 4.420 nan 0.000 0.218 344 P C 0.859 178.183 177.300 0.041 0.000 1.146 344 P CA 2.307 65.432 63.100 0.042 0.000 0.813 344 P CB -0.249 31.485 31.700 0.056 0.000 0.778 345 L N -5.106 116.142 121.223 0.042 0.000 2.313 345 L HA -0.181 nan 4.340 nan 0.000 0.214 345 L C -0.338 176.552 176.870 0.033 0.000 1.119 345 L CA 1.260 56.126 54.840 0.044 0.000 0.809 345 L CB 0.011 42.101 42.059 0.051 0.000 0.933 345 L HN -0.419 7.689 8.230 0.037 0.145 0.449 346 I N -2.671 117.913 120.570 0.023 0.000 2.352 346 I HA -0.115 nan 4.170 nan 0.000 0.290 346 I C 0.056 176.186 176.117 0.022 0.000 1.036 346 I CA 0.862 62.175 61.300 0.022 0.000 1.336 346 I CB -0.280 37.724 38.000 0.007 0.000 1.407 346 I HN -0.448 7.618 8.210 0.019 0.155 0.497 347 T N 4.119 118.709 114.554 0.060 0.000 3.004 347 T HA 0.289 nan 4.350 nan 0.000 0.266 347 T C 0.150 174.753 174.700 -0.162 0.000 0.986 347 T CA -0.553 61.554 62.100 0.013 0.000 0.902 347 T CB 1.168 70.115 68.868 0.132 0.000 1.118 347 T HN 0.847 9.147 8.240 0.101 0.000 0.522 348 H N -0.351 118.696 119.070 -0.037 0.000 3.064 348 H HA 0.178 nan 4.556 nan 0.000 0.352 348 H C -2.532 172.766 175.328 -0.050 0.000 1.260 348 H CA -0.028 55.993 56.048 -0.045 0.000 1.160 348 H CB 4.177 33.905 29.762 -0.056 0.000 1.879 348 H HN -0.594 7.769 8.280 0.138 0.000 0.544 349 V N 3.527 123.479 119.914 0.064 0.000 2.554 349 V HA 0.044 nan 4.120 nan 0.000 0.258 349 V C -1.454 174.633 176.094 -0.011 0.000 0.919 349 V CA -0.317 61.989 62.300 0.010 0.000 0.910 349 V CB 0.748 32.569 31.823 -0.004 0.000 1.100 349 V HN 0.139 8.363 8.190 0.057 0.000 0.491 350 L N 5.225 126.431 121.223 -0.027 0.000 2.466 350 L HA 0.521 nan 4.340 nan 0.000 0.257 350 L C -1.318 175.493 176.870 -0.098 0.000 1.189 350 L CA -2.053 52.752 54.840 -0.059 0.000 0.813 350 L CB 0.514 42.526 42.059 -0.078 0.000 1.118 350 L HN -0.130 8.084 8.230 -0.027 0.000 0.471 351 P HA 0.375 nan 4.420 nan 0.000 0.282 351 P C 0.503 177.695 177.300 -0.180 0.000 1.249 351 P CA -1.107 61.925 63.100 -0.113 0.000 0.806 351 P CB 0.840 32.499 31.700 -0.068 0.000 0.984 352 F N 4.766 124.459 119.950 -0.428 0.000 2.082 352 F HA -0.597 nan 4.527 nan 0.000 0.298 352 F C 1.175 176.765 175.800 -0.349 0.000 1.091 352 F CA 4.596 62.263 58.000 -0.556 0.000 1.230 352 F CB 0.145 38.660 39.000 -0.809 0.000 0.983 352 F HN 0.831 8.926 8.300 -0.187 0.093 0.485 353 E N -3.262 116.744 120.200 -0.323 0.000 2.331 353 E HA -0.300 nan 4.350 nan 0.000 0.199 353 E C 1.199 177.601 176.600 -0.331 0.000 1.008 353 E CA 2.539 58.736 56.400 -0.337 0.000 0.843 353 E CB -0.956 28.684 29.700 -0.099 0.000 0.761 353 E HN 0.423 8.733 8.360 -0.064 0.011 0.507 354 K N -2.493 117.727 120.400 -0.300 0.000 2.446 354 K HA 0.108 nan 4.320 nan 0.000 0.203 354 K C 0.747 177.187 176.600 -0.267 0.000 1.027 354 K CA -1.573 54.580 56.287 -0.223 0.000 1.166 354 K CB -0.345 32.066 32.500 -0.149 0.000 0.869 354 K HN -0.060 7.830 8.250 -0.290 0.187 0.504 355 I N 1.194 121.498 120.570 -0.444 0.000 2.091 355 I HA -0.604 nan 4.170 nan 0.000 0.240 355 I C 0.064 176.074 176.117 -0.178 0.000 1.046 355 I CA 4.432 65.456 61.300 -0.460 0.000 1.306 355 I CB -0.074 37.402 38.000 -0.874 0.000 1.018 355 I HN 0.258 7.932 8.210 -0.601 0.175 0.404 356 N N -1.950 116.649 118.700 -0.170 0.000 2.258 356 N HA -0.434 nan 4.740 nan 0.000 0.187 356 N C 2.156 177.701 175.510 0.058 0.000 1.012 356 N CA 3.566 56.619 53.050 0.004 0.000 0.870 356 N CB -0.411 38.076 38.487 -0.001 0.000 0.977 356 N HN 0.183 8.413 8.380 -0.250 0.000 0.434 357 E N 0.459 120.649 120.200 -0.017 0.000 2.051 357 E HA -0.152 nan 4.350 nan 0.000 0.189 357 E C 2.099 178.673 176.600 -0.043 0.000 0.979 357 E CA 2.707 59.091 56.400 -0.027 0.000 0.803 357 E CB -0.242 29.422 29.700 -0.059 0.000 0.761 357 E HN -0.077 8.089 8.360 -0.075 0.149 0.451 358 G N -1.143 107.614 108.800 -0.072 0.000 2.462 358 G HA2 -0.273 nan 3.960 nan 0.000 0.220 358 G HA3 -0.273 nan 3.960 nan 0.000 0.220 358 G C 1.804 176.592 174.900 -0.186 0.000 1.121 358 G CA 2.108 47.112 45.100 -0.160 0.000 0.758 358 G HN -0.414 7.755 8.290 -0.082 0.071 0.559 359 F N 0.740 120.616 119.950 -0.124 0.000 2.206 359 F HA -0.196 nan 4.527 nan 0.000 0.298 359 F C 1.270 177.046 175.800 -0.041 0.000 1.090 359 F CA 3.864 61.836 58.000 -0.046 0.000 1.323 359 F CB 0.080 39.108 39.000 0.046 0.000 1.028 359 F HN -0.288 8.054 8.300 0.258 0.113 0.492 360 D N 0.552 121.011 120.400 0.100 0.000 2.117 360 D HA -0.273 nan 4.640 nan 0.000 0.197 360 D C 2.594 178.872 176.300 -0.038 0.000 0.987 360 D CA 3.815 57.836 54.000 0.034 0.000 0.829 360 D CB -0.266 40.544 40.800 0.018 0.000 0.961 360 D HN -0.612 7.721 8.370 0.112 0.104 0.460 361 L N -1.729 119.429 121.223 -0.109 0.000 2.127 361 L HA -0.318 nan 4.340 nan 0.000 0.211 361 L C 2.822 179.593 176.870 -0.166 0.000 1.089 361 L CA 2.646 57.372 54.840 -0.191 0.000 0.757 361 L CB -0.219 41.606 42.059 -0.390 0.000 0.899 361 L HN 0.135 8.299 8.230 -0.109 0.000 0.434 362 L N 0.121 121.248 121.223 -0.161 0.000 1.961 362 L HA -0.282 nan 4.340 nan 0.000 0.209 362 L C 1.635 178.466 176.870 -0.065 0.000 1.075 362 L CA 3.122 57.879 54.840 -0.139 0.000 0.749 362 L CB -0.368 41.573 42.059 -0.198 0.000 0.890 362 L HN -0.690 7.322 8.230 -0.173 0.115 0.433 363 R N -2.597 117.889 120.500 -0.024 0.000 2.185 363 R HA -0.352 nan 4.340 nan 0.000 0.247 363 R C 2.173 178.474 176.300 0.001 0.000 1.159 363 R CA 2.891 58.998 56.100 0.013 0.000 0.988 363 R CB -0.460 29.870 30.300 0.049 0.000 0.871 363 R HN 0.017 8.276 8.270 -0.019 0.000 0.458 364 S N -3.763 111.927 115.700 -0.017 0.000 2.605 364 S HA 0.091 nan 4.470 nan 0.000 0.217 364 S C 0.327 174.914 174.600 -0.023 0.000 0.958 364 S CA 0.124 58.314 58.200 -0.016 0.000 0.919 364 S CB 0.668 63.857 63.200 -0.017 0.000 0.780 364 S HN -0.274 7.873 8.310 -0.033 0.143 0.507 365 G N 1.834 110.616 108.800 -0.030 0.000 2.180 365 G HA2 -0.349 nan 3.960 nan 0.000 0.263 365 G HA3 -0.349 nan 3.960 nan 0.000 0.263 365 G C 0.311 175.194 174.900 -0.029 0.000 0.989 365 G CA 1.215 46.297 45.100 -0.030 0.000 0.692 365 G HN 0.450 8.527 8.290 -0.036 0.191 0.526 366 E N -1.449 118.732 120.200 -0.032 0.000 2.476 366 E HA 0.255 nan 4.350 nan 0.000 0.196 366 E C -0.259 176.365 176.600 0.041 0.000 1.029 366 E CA -1.110 55.291 56.400 0.002 0.000 0.896 366 E CB 0.061 29.771 29.700 0.017 0.000 1.012 366 E HN -0.430 7.851 8.360 -0.050 0.050 0.475 367 S N -2.381 113.297 115.700 -0.036 0.000 2.810 367 S HA 0.638 nan 4.470 nan 0.000 0.315 367 S C -1.130 173.468 174.600 -0.004 0.000 1.138 367 S CA -1.362 56.825 58.200 -0.021 0.000 0.889 367 S CB 2.895 65.905 63.200 -0.317 0.000 1.236 367 S HN -0.654 7.555 8.310 -0.066 0.062 0.548 368 I N -2.236 118.345 120.570 0.018 0.000 3.263 368 I HA 0.224 nan 4.170 nan 0.000 0.285 368 I C -0.595 175.514 176.117 -0.013 0.000 0.679 368 I CA 0.279 61.585 61.300 0.010 0.000 2.897 368 I CB 1.866 39.889 38.000 0.038 0.000 1.538 368 I HN -0.298 7.947 8.210 0.059 0.000 0.520 369 R N 0.313 120.821 120.500 0.014 0.000 2.255 369 R HA 0.283 nan 4.340 nan 0.000 0.326 369 R C -1.604 174.700 176.300 0.007 0.000 0.986 369 R CA -2.026 54.070 56.100 -0.008 0.000 0.847 369 R CB 0.559 30.861 30.300 0.004 0.000 1.111 369 R HN 0.119 8.410 8.270 0.036 0.000 0.452 370 T N 7.137 121.663 114.554 -0.047 0.000 2.853 370 T HA 0.382 nan 4.350 nan 0.000 0.317 370 T C -0.898 173.770 174.700 -0.055 0.000 1.059 370 T CA -0.183 61.895 62.100 -0.037 0.000 0.954 370 T CB 0.485 69.263 68.868 -0.149 0.000 0.994 370 T HN 0.550 8.732 8.240 -0.096 0.000 0.479 371 I N 8.098 128.656 120.570 -0.020 0.000 2.379 371 I HA 0.190 nan 4.170 nan 0.000 0.290 371 I C -0.798 175.290 176.117 -0.049 0.000 1.063 371 I CA -0.684 60.602 61.300 -0.022 0.000 1.351 371 I CB -0.142 37.857 38.000 -0.002 0.000 1.410 371 I HN 0.521 8.735 8.210 0.007 0.000 0.505 372 L N 9.397 130.573 121.223 -0.078 0.000 2.290 372 L HA 0.331 nan 4.340 nan 0.000 0.284 372 L C -0.749 176.032 176.870 -0.148 0.000 1.078 372 L CA -0.940 53.804 54.840 -0.160 0.000 0.815 372 L CB 0.180 42.079 42.059 -0.266 0.000 1.162 372 L HN 0.959 9.061 8.230 -0.054 0.096 0.435 373 T N 2.354 116.818 114.554 -0.151 0.000 2.875 373 T HA 0.644 nan 4.350 nan 0.000 0.284 373 T C -0.525 174.058 174.700 -0.196 0.000 0.995 373 T CA -1.799 60.255 62.100 -0.077 0.000 1.060 373 T CB 0.926 69.779 68.868 -0.024 0.000 0.967 373 T HN 0.569 8.722 8.240 -0.146 0.000 0.476 374 F N 0.000 119.940 119.950 -0.017 0.000 2.286 374 F HA 0.000 nan 4.527 nan 0.000 0.279 374 F CA 0.000 57.966 58.000 -0.057 0.000 1.383 374 F CB 0.000 38.905 39.000 -0.158 0.000 1.145 374 F HN 0.000 8.462 8.300 0.271 0.000 0.574