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 1ado_1_C DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTSSGQAGA DATA SEQUENCE AASESLFISN HAY 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.220 177.300 -0.133 0.000 1.155 1 P CA 0.000 63.082 63.100 -0.031 0.000 0.800 1 P CB 0.000 31.721 31.700 0.035 0.000 0.726 2 H N 0.417 119.520 119.070 0.055 0.000 2.457 2 H HA 0.306 nan 4.556 nan 0.000 0.335 2 H C -0.328 175.040 175.328 0.066 0.000 1.115 2 H CA -0.413 55.671 56.048 0.061 0.000 1.219 2 H CB 1.841 31.653 29.762 0.083 0.000 1.471 2 H HN 0.022 8.412 8.280 0.185 0.000 0.491 3 S N 1.911 117.697 115.700 0.145 0.000 2.513 3 S HA 0.026 nan 4.470 nan 0.000 0.276 3 S C -0.466 174.151 174.600 0.029 0.000 1.254 3 S CA 0.159 58.389 58.200 0.050 0.000 1.053 3 S CB 0.613 63.812 63.200 -0.001 0.000 0.958 3 S HN 0.279 8.667 8.310 0.131 0.000 0.491 4 H N 5.999 125.010 119.070 -0.098 0.000 2.607 4 H HA 0.286 nan 4.556 nan 0.000 0.248 4 H C -2.290 172.968 175.328 -0.118 0.000 1.355 4 H CA -1.539 54.456 56.048 -0.089 0.000 1.524 4 H CB 0.529 30.236 29.762 -0.091 0.000 1.563 4 H HN 0.109 8.378 8.280 -0.019 0.000 0.509 5 P HA -0.154 nan 4.420 nan 0.000 0.255 5 P C -0.558 176.719 177.300 -0.038 0.000 1.151 5 P CA 0.384 63.451 63.100 -0.055 0.000 0.767 5 P CB 0.683 32.343 31.700 -0.066 0.000 0.736 6 A N 3.091 125.889 122.820 -0.037 0.000 1.968 6 A HA -0.169 nan 4.320 nan 0.000 0.217 6 A C -1.187 176.379 177.584 -0.030 0.000 1.169 6 A CA 1.313 53.341 52.037 -0.015 0.000 0.638 6 A CB 0.574 19.586 19.000 0.021 0.000 0.812 6 A HN 0.485 8.610 8.150 -0.042 0.000 0.446 7 L N -4.085 117.100 121.223 -0.063 0.000 2.370 7 L HA 0.250 nan 4.340 nan 0.000 0.266 7 L C -0.518 176.283 176.870 -0.114 0.000 1.002 7 L CA -1.436 53.344 54.840 -0.099 0.000 0.818 7 L CB 3.855 45.813 42.059 -0.168 0.000 1.325 7 L HN -0.645 7.525 8.230 -0.067 0.020 0.418 8 T N -3.186 111.307 114.554 -0.101 0.000 2.847 8 T HA 0.522 nan 4.350 nan 0.000 0.279 8 T C -0.649 173.982 174.700 -0.116 0.000 0.984 8 T CA -2.792 59.254 62.100 -0.089 0.000 0.988 8 T CB -0.017 68.815 68.868 -0.061 0.000 1.040 8 T HN 0.253 8.767 8.240 -0.087 -0.326 0.528 9 P HA -0.182 nan 4.420 nan 0.000 0.216 9 P C 1.773 179.027 177.300 -0.077 0.000 1.150 9 P CA 2.893 65.940 63.100 -0.088 0.000 0.837 9 P CB 0.026 31.693 31.700 -0.054 0.000 0.786 10 E N -2.575 117.590 120.200 -0.058 0.000 2.077 10 E HA -0.282 nan 4.350 nan 0.000 0.193 10 E C 2.635 179.209 176.600 -0.044 0.000 0.989 10 E CA 3.785 60.162 56.400 -0.039 0.000 0.800 10 E CB -0.849 28.834 29.700 -0.028 0.000 0.746 10 E HN 0.528 8.850 8.360 -0.054 0.006 0.452 11 Q N -0.718 119.043 119.800 -0.066 0.000 2.079 11 Q HA -0.307 nan 4.340 nan 0.000 0.200 11 Q C 2.516 178.459 176.000 -0.096 0.000 0.974 11 Q CA 3.098 58.861 55.803 -0.065 0.000 0.840 11 Q CB -0.033 28.662 28.738 -0.073 0.000 0.898 11 Q HN -0.507 7.642 8.270 -0.073 0.077 0.430 12 K N -0.459 119.814 120.400 -0.211 0.000 2.057 12 K HA -0.364 nan 4.320 nan 0.000 0.207 12 K C 2.078 178.666 176.600 -0.021 0.000 1.049 12 K CA 3.519 59.576 56.287 -0.382 0.000 0.931 12 K CB -0.268 31.853 32.500 -0.633 0.000 0.714 12 K HN -0.028 8.096 8.250 -0.210 0.000 0.440 13 K N -0.653 119.741 120.400 -0.010 0.000 2.026 13 K HA -0.364 nan 4.320 nan 0.000 0.208 13 K C 1.740 178.381 176.600 0.069 0.000 1.048 13 K CA 3.467 59.782 56.287 0.047 0.000 0.929 13 K CB -0.100 32.408 32.500 0.014 0.000 0.713 13 K HN -0.173 8.042 8.250 -0.057 0.000 0.439 14 E N -0.443 119.784 120.200 0.046 0.000 2.058 14 E HA -0.316 nan 4.350 nan 0.000 0.194 14 E C 2.371 179.025 176.600 0.090 0.000 0.997 14 E CA 3.142 59.575 56.400 0.055 0.000 0.801 14 E CB -0.139 29.583 29.700 0.037 0.000 0.746 14 E HN -0.600 7.772 8.360 0.018 0.000 0.450 15 L N -1.713 119.580 121.223 0.116 0.000 2.012 15 L HA -0.410 nan 4.340 nan 0.000 0.210 15 L C 2.261 179.237 176.870 0.177 0.000 1.073 15 L CA 3.043 57.977 54.840 0.158 0.000 0.748 15 L CB -0.249 41.949 42.059 0.232 0.000 0.891 15 L HN -0.194 8.091 8.230 0.091 0.000 0.431 16 S N -1.300 114.551 115.700 0.253 0.000 2.368 16 S HA -0.348 nan 4.470 nan 0.000 0.225 16 S C 2.417 177.185 174.600 0.280 0.000 1.030 16 S CA 3.760 62.120 58.200 0.266 0.000 0.999 16 S CB -0.246 63.134 63.200 0.301 0.000 0.844 16 S HN 0.005 8.495 8.310 0.300 0.000 0.459 17 D N 2.541 123.041 120.400 0.167 0.000 2.104 17 D HA -0.289 nan 4.640 nan 0.000 0.194 17 D C 2.330 178.694 176.300 0.107 0.000 0.994 17 D CA 3.470 57.538 54.000 0.114 0.000 0.830 17 D CB -0.354 40.482 40.800 0.061 0.000 0.959 17 D HN -0.099 8.354 8.370 0.139 0.000 0.452 18 I N -0.498 120.123 120.570 0.084 0.000 2.179 18 I HA -0.545 nan 4.170 nan 0.000 0.242 18 I C 1.672 177.787 176.117 -0.004 0.000 1.088 18 I CA 4.019 65.349 61.300 0.051 0.000 1.357 18 I CB -0.228 37.813 38.000 0.068 0.000 1.051 18 I HN -0.272 7.993 8.210 0.092 0.000 0.409 19 A N -1.113 121.699 122.820 -0.013 0.000 1.908 19 A HA -0.397 nan 4.320 nan 0.000 0.218 19 A C 2.104 179.580 177.584 -0.179 0.000 1.181 19 A CA 3.217 55.175 52.037 -0.131 0.000 0.627 19 A CB -0.902 18.006 19.000 -0.154 0.000 0.818 19 A HN -0.091 8.083 8.150 0.039 0.000 0.445 20 H N -1.898 117.134 119.070 -0.063 0.000 2.389 20 H HA -0.198 nan 4.556 nan 0.000 0.299 20 H C 2.655 177.942 175.328 -0.069 0.000 1.081 20 H CA 3.768 59.782 56.048 -0.058 0.000 1.345 20 H CB -0.033 29.710 29.762 -0.031 0.000 1.393 20 H HN -0.222 8.139 8.280 0.136 0.000 0.520 21 R N -1.361 119.168 120.500 0.049 0.000 2.081 21 R HA -0.272 nan 4.340 nan 0.000 0.235 21 R C 2.521 178.780 176.300 -0.067 0.000 1.131 21 R CA 3.174 59.273 56.100 -0.001 0.000 0.960 21 R CB 0.086 30.388 30.300 0.004 0.000 0.856 21 R HN -0.380 7.931 8.270 0.069 0.000 0.436 22 I N -1.967 118.521 120.570 -0.138 0.000 2.286 22 I HA -0.365 nan 4.170 nan 0.000 0.248 22 I C 0.121 176.097 176.117 -0.234 0.000 1.115 22 I CA 3.484 64.642 61.300 -0.238 0.000 1.392 22 I CB 0.361 38.106 38.000 -0.425 0.000 1.065 22 I HN -0.648 7.483 8.210 -0.132 0.000 0.418 23 V N -10.088 109.707 119.914 -0.198 0.000 3.099 23 V HA 0.302 nan 4.120 nan 0.000 0.356 23 V C 0.213 176.249 176.094 -0.097 0.000 1.364 23 V CA -3.220 58.972 62.300 -0.181 0.000 1.229 23 V CB -1.580 30.124 31.823 -0.198 0.000 1.227 23 V HN -0.974 7.093 8.190 -0.176 0.017 0.493 24 A N 2.525 125.307 122.820 -0.063 0.000 2.507 24 A HA 0.200 nan 4.320 nan 0.000 0.235 24 A C -2.172 175.401 177.584 -0.019 0.000 1.070 24 A CA -1.547 50.480 52.037 -0.016 0.000 0.768 24 A CB -1.036 17.959 19.000 -0.009 0.000 1.011 24 A HN -0.644 7.388 8.150 -0.079 0.071 0.502 25 P HA -0.294 nan 4.420 nan 0.000 0.259 25 P C 0.024 177.333 177.300 0.015 0.000 1.163 25 P CA 2.087 65.195 63.100 0.013 0.000 0.760 25 P CB -0.368 31.343 31.700 0.018 0.000 0.762 26 G N 2.500 111.318 108.800 0.030 0.000 2.179 26 G HA2 -0.491 nan 3.960 nan 0.000 0.260 26 G HA3 -0.491 nan 3.960 nan 0.000 0.260 26 G C -0.821 174.111 174.900 0.054 0.000 0.977 26 G CA 0.160 45.291 45.100 0.051 0.000 0.641 26 G HN 0.418 8.730 8.290 0.035 0.000 0.533 27 K N 0.839 121.230 120.400 -0.016 0.000 2.156 27 K HA 0.907 nan 4.320 nan 0.000 0.254 27 K C -1.198 175.191 176.600 -0.352 0.000 0.950 27 K CA -1.419 54.807 56.287 -0.101 0.000 0.849 27 K CB 2.495 34.931 32.500 -0.106 0.000 1.100 27 K HN -0.085 8.087 8.250 -0.032 0.058 0.434 28 G N -0.080 108.305 108.800 -0.692 0.000 2.975 28 G HA2 0.835 nan 3.960 nan 0.000 0.291 28 G HA3 0.835 nan 3.960 nan 0.000 0.291 28 G C -2.832 171.509 174.900 -0.932 0.000 1.334 28 G CA -1.346 42.789 45.100 -1.608 0.000 0.843 28 G HN 0.573 8.621 8.290 -0.403 0.000 0.548 29 I N -1.254 118.811 120.570 -0.841 0.000 2.509 29 I HA 0.541 nan 4.170 nan 0.000 0.293 29 I C -2.060 174.070 176.117 0.021 0.000 1.020 29 I CA -1.222 59.927 61.300 -0.252 0.000 1.088 29 I CB 3.864 41.767 38.000 -0.162 0.000 1.267 29 I HN 0.681 8.049 8.210 -1.209 0.117 0.430 30 L N 7.028 128.321 121.223 0.116 0.000 2.255 30 L HA 0.491 nan 4.340 nan 0.000 0.289 30 L C -2.274 174.665 176.870 0.116 0.000 1.046 30 L CA -1.877 53.069 54.840 0.177 0.000 0.816 30 L CB 1.701 43.855 42.059 0.158 0.000 1.197 30 L HN 0.288 8.569 8.230 0.086 0.000 0.427 31 A N 8.107 131.009 122.820 0.136 0.000 2.506 31 A HA 0.406 nan 4.320 nan 0.000 0.320 31 A C -1.549 176.067 177.584 0.052 0.000 1.424 31 A CA -0.916 51.182 52.037 0.101 0.000 1.044 31 A CB -0.211 18.868 19.000 0.132 0.000 1.140 31 A HN 0.605 8.772 8.150 0.190 0.097 0.538 32 A N 2.609 125.429 122.820 0.001 0.000 2.676 32 A HA 0.397 nan 4.320 nan 0.000 0.297 32 A C -1.448 176.127 177.584 -0.014 0.000 1.132 32 A CA -0.912 51.100 52.037 -0.042 0.000 0.972 32 A CB 0.703 19.614 19.000 -0.149 0.000 1.197 32 A HN -0.090 8.059 8.150 -0.001 0.000 0.524 33 D N -2.797 117.612 120.400 0.015 0.000 2.434 33 D HA -0.071 nan 4.640 nan 0.000 0.232 33 D C -0.666 175.622 176.300 -0.020 0.000 1.166 33 D CA -0.081 53.953 54.000 0.055 0.000 0.830 33 D CB -0.727 40.108 40.800 0.058 0.000 0.960 33 D HN -0.108 8.201 8.370 0.020 0.073 0.497 34 E N -0.305 119.851 120.200 -0.074 0.000 2.376 34 E HA -0.072 nan 4.350 nan 0.000 0.266 34 E C -0.300 176.008 176.600 -0.486 0.000 1.009 34 E CA 0.469 56.760 56.400 -0.181 0.000 0.902 34 E CB 0.076 29.724 29.700 -0.086 0.000 0.972 34 E HN -0.223 8.031 8.360 -0.025 0.091 0.439 35 S N 3.947 119.235 115.700 -0.687 0.000 2.593 35 S HA -0.014 nan 4.470 nan 0.000 0.269 35 S C 1.470 175.705 174.600 -0.609 0.000 1.334 35 S CA -0.204 57.258 58.200 -1.230 0.000 1.015 35 S CB 1.372 64.140 63.200 -0.720 0.000 0.912 35 S HN 0.070 8.115 8.310 -0.440 0.000 0.541 36 T N 4.651 118.935 114.554 -0.450 0.000 2.680 36 T HA -0.307 nan 4.350 nan 0.000 0.268 36 T C 2.134 176.787 174.700 -0.077 0.000 1.033 36 T CA 3.836 65.875 62.100 -0.102 0.000 1.152 36 T CB -0.622 68.282 68.868 0.060 0.000 0.859 36 T HN 0.611 8.501 8.240 -0.583 0.000 0.452 37 G N -1.214 107.528 108.800 -0.096 0.000 2.421 37 G HA2 -0.070 nan 3.960 nan 0.000 0.217 37 G HA3 -0.070 nan 3.960 nan 0.000 0.217 37 G C 1.188 176.046 174.900 -0.070 0.000 1.143 37 G CA 1.567 46.630 45.100 -0.062 0.000 0.784 37 G HN 0.109 8.304 8.290 -0.131 0.017 0.541 38 S N 2.062 117.696 115.700 -0.110 0.000 2.357 38 S HA -0.140 nan 4.470 nan 0.000 0.221 38 S C 1.765 176.328 174.600 -0.062 0.000 1.031 38 S CA 2.624 60.770 58.200 -0.090 0.000 0.982 38 S CB 0.070 63.197 63.200 -0.122 0.000 0.853 38 S HN -0.543 7.571 8.310 -0.164 0.097 0.458 39 I N 1.212 121.741 120.570 -0.069 0.000 2.567 39 I HA -0.332 nan 4.170 nan 0.000 0.257 39 I C 0.371 176.483 176.117 -0.009 0.000 1.184 39 I CA 0.681 61.971 61.300 -0.018 0.000 1.451 39 I CB -0.372 37.636 38.000 0.014 0.000 1.089 39 I HN 0.084 8.224 8.210 -0.117 0.000 0.441 40 A N -0.443 122.368 122.820 -0.016 0.000 1.877 40 A HA -0.381 nan 4.320 nan 0.000 0.216 40 A C 1.717 179.291 177.584 -0.016 0.000 1.186 40 A CA 3.619 55.652 52.037 -0.007 0.000 0.620 40 A CB -1.049 17.947 19.000 -0.008 0.000 0.822 40 A HN -0.279 7.720 8.150 -0.031 0.133 0.443 41 K N -1.616 118.771 120.400 -0.022 0.000 2.057 41 K HA -0.361 nan 4.320 nan 0.000 0.207 41 K C 2.733 179.317 176.600 -0.026 0.000 1.049 41 K CA 3.435 59.709 56.287 -0.023 0.000 0.931 41 K CB -0.424 32.063 32.500 -0.021 0.000 0.714 41 K HN -0.631 7.604 8.250 -0.025 0.000 0.440 42 R N -1.440 119.044 120.500 -0.027 0.000 2.073 42 R HA -0.269 nan 4.340 nan 0.000 0.234 42 R C 2.755 179.018 176.300 -0.061 0.000 1.134 42 R CA 2.932 59.009 56.100 -0.039 0.000 0.952 42 R CB -0.256 30.023 30.300 -0.035 0.000 0.850 42 R HN -0.754 7.502 8.270 -0.024 0.000 0.433 43 L N -0.731 120.460 121.223 -0.054 0.000 2.093 43 L HA -0.321 nan 4.340 nan 0.000 0.208 43 L C 2.231 179.059 176.870 -0.070 0.000 1.085 43 L CA 2.885 57.692 54.840 -0.056 0.000 0.755 43 L CB -0.749 41.309 42.059 -0.001 0.000 0.904 43 L HN 0.251 8.460 8.230 -0.036 0.000 0.435 44 Q N -0.838 118.933 119.800 -0.050 0.000 2.124 44 Q HA -0.321 nan 4.340 nan 0.000 0.202 44 Q C 3.081 179.047 176.000 -0.057 0.000 0.977 44 Q CA 3.385 59.158 55.803 -0.050 0.000 0.850 44 Q CB -0.119 28.598 28.738 -0.034 0.000 0.901 44 Q HN 0.280 8.527 8.270 -0.038 0.000 0.429 45 S N -0.826 114.843 115.700 -0.051 0.000 2.442 45 S HA -0.233 nan 4.470 nan 0.000 0.236 45 S C 1.121 175.683 174.600 -0.062 0.000 1.007 45 S CA 3.308 61.480 58.200 -0.047 0.000 0.965 45 S CB -0.048 63.132 63.200 -0.034 0.000 0.773 45 S HN -0.199 8.083 8.310 -0.047 0.000 0.504 46 I N -7.044 113.471 120.570 -0.091 0.000 3.914 46 I HA 0.432 nan 4.170 nan 0.000 0.333 46 I C 0.165 176.184 176.117 -0.163 0.000 1.449 46 I CA -1.187 60.037 61.300 -0.128 0.000 1.135 46 I CB 0.100 38.002 38.000 -0.164 0.000 1.073 46 I HN -0.788 7.209 8.210 -0.093 0.157 0.401 47 G N 1.104 109.831 108.800 -0.122 0.000 2.249 47 G HA2 -0.479 nan 3.960 nan 0.000 0.273 47 G HA3 -0.479 nan 3.960 nan 0.000 0.273 47 G C -0.551 174.262 174.900 -0.146 0.000 1.036 47 G CA 0.848 45.877 45.100 -0.117 0.000 0.824 47 G HN 0.017 8.053 8.290 -0.096 0.196 0.504 48 T N 0.915 115.374 114.554 -0.157 0.000 2.856 48 T HA 0.203 nan 4.350 nan 0.000 0.283 48 T C -0.984 173.672 174.700 -0.074 0.000 1.008 48 T CA -0.749 61.255 62.100 -0.161 0.000 0.997 48 T CB 2.292 70.997 68.868 -0.272 0.000 0.992 48 T HN -0.296 7.744 8.240 -0.142 0.115 0.454 49 E N 3.738 123.912 120.200 -0.044 0.000 2.373 49 E HA -0.089 nan 4.350 nan 0.000 0.263 49 E C -0.711 175.905 176.600 0.027 0.000 1.073 49 E CA -0.569 55.825 56.400 -0.009 0.000 0.894 49 E CB 0.881 30.577 29.700 -0.007 0.000 1.008 49 E HN 0.136 8.463 8.360 -0.056 0.000 0.420 50 N N 2.100 120.818 118.700 0.030 0.000 2.807 50 N HA 0.036 nan 4.740 nan 0.000 0.259 50 N C -0.937 174.612 175.510 0.066 0.000 1.149 50 N CA -0.802 52.280 53.050 0.053 0.000 1.042 50 N CB -0.521 37.988 38.487 0.037 0.000 1.367 50 N HN 0.176 8.566 8.380 0.017 0.000 0.516 51 T N 0.515 115.122 114.554 0.087 0.000 2.932 51 T HA 0.399 nan 4.350 nan 0.000 0.289 51 T C 0.290 175.063 174.700 0.122 0.000 1.039 51 T CA -2.038 60.116 62.100 0.090 0.000 1.024 51 T CB 2.971 71.885 68.868 0.077 0.000 1.090 51 T HN -0.528 7.774 8.240 0.104 0.000 0.496 52 E N 1.047 121.317 120.200 0.117 0.000 2.153 52 E HA -0.345 nan 4.350 nan 0.000 0.194 52 E C 2.001 178.697 176.600 0.161 0.000 0.988 52 E CA 3.534 60.018 56.400 0.140 0.000 0.811 52 E CB 0.072 29.845 29.700 0.120 0.000 0.746 52 E HN 0.495 8.914 8.360 0.099 0.000 0.466 53 E N -1.315 118.973 120.200 0.147 0.000 2.047 53 E HA -0.252 nan 4.350 nan 0.000 0.191 53 E C 2.687 179.434 176.600 0.245 0.000 0.987 53 E CA 2.844 59.345 56.400 0.169 0.000 0.799 53 E CB -0.641 29.130 29.700 0.120 0.000 0.752 53 E HN 0.303 8.714 8.360 0.122 0.023 0.449 54 N N -0.582 118.265 118.700 0.244 0.000 2.244 54 N HA -0.240 nan 4.740 nan 0.000 0.183 54 N C 2.619 178.366 175.510 0.394 0.000 1.016 54 N CA 2.752 56.024 53.050 0.370 0.000 0.866 54 N CB -0.292 38.386 38.487 0.317 0.000 0.980 54 N HN -0.530 7.963 8.380 0.188 0.000 0.430 55 R N 0.316 120.988 120.500 0.287 0.000 2.066 55 R HA -0.278 nan 4.340 nan 0.000 0.232 55 R C 2.123 178.564 176.300 0.236 0.000 1.131 55 R CA 3.681 59.937 56.100 0.259 0.000 0.955 55 R CB -0.157 30.270 30.300 0.213 0.000 0.851 55 R HN -0.114 8.289 8.270 0.241 0.012 0.432 56 R N -0.403 120.252 120.500 0.258 0.000 2.081 56 R HA -0.291 nan 4.340 nan 0.000 0.235 56 R C 2.318 178.778 176.300 0.267 0.000 1.131 56 R CA 3.387 59.668 56.100 0.302 0.000 0.960 56 R CB -0.125 30.343 30.300 0.280 0.000 0.856 56 R HN -0.001 8.313 8.270 0.250 0.107 0.436 57 F N 0.767 120.789 119.950 0.120 0.000 2.102 57 F HA -0.372 nan 4.527 nan 0.000 0.298 57 F C 1.472 177.165 175.800 -0.179 0.000 1.105 57 F CA 3.921 61.940 58.000 0.033 0.000 1.239 57 F CB 0.031 39.095 39.000 0.106 0.000 0.991 57 F HN 0.235 8.680 8.300 0.420 0.107 0.474 58 Y N -0.133 119.991 120.300 -0.293 0.000 2.128 58 Y HA -0.528 nan 4.550 nan 0.000 0.284 58 Y C 1.813 177.400 175.900 -0.522 0.000 1.154 58 Y CA 3.618 61.321 58.100 -0.660 0.000 1.149 58 Y CB -0.198 37.998 38.460 -0.440 0.000 0.976 58 Y HN 0.109 8.419 8.280 0.230 0.108 0.505 59 R N -2.473 117.726 120.500 -0.501 0.000 2.096 59 R HA -0.390 nan 4.340 nan 0.000 0.235 59 R C 2.190 178.005 176.300 -0.810 0.000 1.127 59 R CA 2.351 58.043 56.100 -0.680 0.000 0.968 59 R CB -0.786 29.208 30.300 -0.510 0.000 0.861 59 R HN -0.066 8.092 8.270 -0.186 0.000 0.440 60 Q N 0.578 120.004 119.800 -0.623 0.000 2.084 60 Q HA -0.247 nan 4.340 nan 0.000 0.202 60 Q C 2.485 178.157 176.000 -0.546 0.000 0.978 60 Q CA 3.268 58.783 55.803 -0.480 0.000 0.844 60 Q CB -0.256 28.384 28.738 -0.164 0.000 0.898 60 Q HN -0.183 7.740 8.270 -0.413 0.100 0.426 61 L N -0.190 120.600 121.223 -0.722 0.000 2.043 61 L HA -0.355 nan 4.340 nan 0.000 0.212 61 L C 1.493 178.047 176.870 -0.527 0.000 1.075 61 L CA 3.219 57.673 54.840 -0.643 0.000 0.752 61 L CB -0.015 41.594 42.059 -0.750 0.000 0.891 61 L HN -0.015 7.630 8.230 -0.833 0.085 0.432 62 L N -3.416 117.387 121.223 -0.701 0.000 2.049 62 L HA -0.298 nan 4.340 nan 0.000 0.203 62 L C 2.300 178.855 176.870 -0.524 0.000 1.074 62 L CA 2.683 57.041 54.840 -0.803 0.000 0.749 62 L CB 0.091 41.549 42.059 -1.002 0.000 0.907 62 L HN -0.751 6.983 8.230 -0.827 0.000 0.439 63 L N -3.604 117.321 121.223 -0.496 0.000 2.191 63 L HA -0.329 nan 4.340 nan 0.000 0.212 63 L C 1.419 178.187 176.870 -0.170 0.000 1.103 63 L CA 2.396 57.036 54.840 -0.334 0.000 0.769 63 L CB -0.209 41.557 42.059 -0.488 0.000 0.908 63 L HN -0.003 7.852 8.230 -0.624 0.000 0.438 64 T N -9.449 105.003 114.554 -0.170 0.000 3.186 64 T HA 0.167 nan 4.350 nan 0.000 0.257 64 T C 0.871 175.547 174.700 -0.041 0.000 1.029 64 T CA -1.613 60.441 62.100 -0.075 0.000 0.916 64 T CB -0.109 68.722 68.868 -0.063 0.000 1.041 64 T HN -0.437 7.620 8.240 -0.258 0.029 0.562 65 A N 3.256 126.069 122.820 -0.011 0.000 2.507 65 A HA -0.076 nan 4.320 nan 0.000 0.235 65 A C -0.824 176.785 177.584 0.041 0.000 1.070 65 A CA 0.267 52.338 52.037 0.057 0.000 0.768 65 A CB 1.081 20.213 19.000 0.219 0.000 1.011 65 A HN -0.541 7.522 8.150 -0.030 0.069 0.502 66 D N -1.512 118.906 120.400 0.031 0.000 2.370 66 D HA -0.273 nan 4.640 nan 0.000 0.235 66 D C 1.121 177.431 176.300 0.016 0.000 1.228 66 D CA 0.763 54.775 54.000 0.019 0.000 0.884 66 D CB 0.609 41.417 40.800 0.014 0.000 1.201 66 D HN 0.149 8.539 8.370 0.033 0.000 0.456 67 D N -0.565 119.842 120.400 0.012 0.000 2.411 67 D HA -0.240 nan 4.640 nan 0.000 0.226 67 D C 1.635 177.936 176.300 0.002 0.000 0.988 67 D CA 2.686 56.691 54.000 0.009 0.000 0.938 67 D CB -0.586 40.220 40.800 0.009 0.000 0.883 67 D HN 0.489 8.866 8.370 0.012 0.000 0.525 68 R N -0.900 119.597 120.500 -0.005 0.000 2.148 68 R HA -0.192 nan 4.340 nan 0.000 0.227 68 R C 1.431 177.713 176.300 -0.030 0.000 1.103 68 R CA 2.468 58.559 56.100 -0.016 0.000 0.983 68 R CB 0.028 30.316 30.300 -0.021 0.000 0.874 68 R HN -0.637 7.721 8.270 -0.002 -0.089 0.451 69 V N -7.380 112.511 119.914 -0.038 0.000 3.306 69 V HA 0.110 nan 4.120 nan 0.000 0.264 69 V C 0.747 176.836 176.094 -0.008 0.000 1.149 69 V CA 1.004 63.269 62.300 -0.057 0.000 1.143 69 V CB -0.313 31.452 31.823 -0.096 0.000 0.767 69 V HN -0.380 7.772 8.190 -0.023 0.024 0.476 70 N N 1.681 120.384 118.700 0.004 0.000 2.021 70 N HA -0.153 nan 4.740 nan 0.000 0.198 70 N C -0.129 175.387 175.510 0.011 0.000 1.041 70 N CA 3.839 56.897 53.050 0.013 0.000 0.862 70 N CB -2.635 35.858 38.487 0.011 0.000 1.048 70 N HN -0.311 7.891 8.380 0.002 0.179 0.427 71 P HA 0.046 nan 4.420 nan 0.000 0.234 71 P C -0.392 176.919 177.300 0.018 0.000 1.167 71 P CA 1.321 64.427 63.100 0.009 0.000 0.763 71 P CB -0.236 31.470 31.700 0.009 0.000 0.835 72 C N -2.411 116.905 119.300 0.026 0.000 2.527 72 C HA 0.034 nan 4.460 nan 0.000 0.280 72 C C -0.223 174.818 174.990 0.085 0.000 1.353 72 C CA 1.329 60.390 59.018 0.071 0.000 1.749 72 C CB 0.737 28.509 27.740 0.053 0.000 2.088 72 C HN -0.240 7.801 8.230 0.015 0.198 0.508 73 I N 0.107 120.705 120.570 0.047 0.000 2.291 73 I HA 0.095 nan 4.170 nan 0.000 0.290 73 I C 0.359 176.464 176.117 -0.022 0.000 1.050 73 I CA -1.921 59.396 61.300 0.028 0.000 1.245 73 I CB -1.699 36.352 38.000 0.085 0.000 1.405 73 I HN -0.410 7.822 8.210 0.036 0.000 0.478 74 G N 5.543 114.285 108.800 -0.096 0.000 2.494 74 G HA2 0.053 nan 3.960 nan 0.000 0.216 74 G HA3 0.053 nan 3.960 nan 0.000 0.216 74 G C -1.371 173.488 174.900 -0.069 0.000 1.140 74 G CA 0.545 45.585 45.100 -0.101 0.000 0.801 74 G HN 0.851 8.938 8.290 -0.170 0.100 0.536 75 G N -2.462 106.310 108.800 -0.047 0.000 2.698 75 G HA2 0.572 nan 3.960 nan 0.000 0.293 75 G HA3 0.572 nan 3.960 nan 0.000 0.293 75 G C -3.041 171.972 174.900 0.187 0.000 1.437 75 G CA 0.295 45.467 45.100 0.119 0.000 0.852 75 G HN -0.792 7.447 8.290 -0.085 0.000 0.499 76 V N 0.913 120.979 119.914 0.253 0.000 2.577 76 V HA 0.695 nan 4.120 nan 0.000 0.303 76 V C -1.148 174.967 176.094 0.035 0.000 1.042 76 V CA -1.321 61.047 62.300 0.113 0.000 0.872 76 V CB 2.860 34.681 31.823 -0.003 0.000 0.998 76 V HN 0.406 8.778 8.190 0.302 0.000 0.423 77 I N 6.135 126.726 120.570 0.036 0.000 2.325 77 I HA 0.422 nan 4.170 nan 0.000 0.291 77 I C -1.041 175.018 176.117 -0.097 0.000 1.019 77 I CA -0.263 60.984 61.300 -0.088 0.000 1.302 77 I CB 0.078 38.098 38.000 0.034 0.000 1.401 77 I HN 0.462 8.722 8.210 0.083 0.000 0.485 78 L N 4.952 126.078 121.223 -0.162 0.000 2.322 78 L HA 0.591 nan 4.340 nan 0.000 0.269 78 L C -1.403 175.455 176.870 -0.019 0.000 1.012 78 L CA -1.975 52.805 54.840 -0.100 0.000 0.815 78 L CB 3.110 45.072 42.059 -0.161 0.000 1.295 78 L HN 0.536 8.486 8.230 -0.264 0.122 0.438 79 F N 0.553 120.446 119.950 -0.096 0.000 2.371 79 F HA 0.162 nan 4.527 nan 0.000 0.329 79 F C 0.271 176.069 175.800 -0.004 0.000 1.107 79 F CA -1.597 56.384 58.000 -0.032 0.000 1.137 79 F CB 2.262 41.269 39.000 0.011 0.000 1.214 79 F HN 0.377 8.779 8.300 0.169 0.000 0.536 80 H N 6.459 125.004 119.070 -0.874 0.000 2.292 80 H HA -0.477 nan 4.556 nan 0.000 0.292 80 H C 1.330 176.497 175.328 -0.267 0.000 1.100 80 H CA 4.624 60.348 56.048 -0.540 0.000 1.238 80 H CB 0.202 29.646 29.762 -0.529 0.000 1.355 80 H HN 0.585 8.272 8.280 -0.988 0.000 0.484 81 E N -2.519 117.471 120.200 -0.351 0.000 2.049 81 E HA -0.352 nan 4.350 nan 0.000 0.198 81 E C 2.421 179.055 176.600 0.058 0.000 1.007 81 E CA 3.462 59.867 56.400 0.008 0.000 0.809 81 E CB -0.268 29.555 29.700 0.205 0.000 0.749 81 E HN 0.439 8.258 8.360 -0.901 0.000 0.450 82 T N 1.724 116.329 114.554 0.085 0.000 2.849 82 T HA -0.213 nan 4.350 nan 0.000 0.270 82 T C 2.569 177.293 174.700 0.040 0.000 1.066 82 T CA 3.279 65.460 62.100 0.135 0.000 1.130 82 T CB -0.767 68.160 68.868 0.098 0.000 0.864 82 T HN -0.401 7.916 8.240 0.129 0.000 0.481 83 L N 1.430 122.528 121.223 -0.207 0.000 2.265 83 L HA -0.261 nan 4.340 nan 0.000 0.215 83 L C -0.002 176.483 176.870 -0.641 0.000 1.117 83 L CA 2.364 56.923 54.840 -0.468 0.000 0.782 83 L CB 0.063 41.675 42.059 -0.744 0.000 0.914 83 L HN -0.576 7.393 8.230 -0.232 0.122 0.441 84 Y N -5.606 114.630 120.300 -0.107 0.000 2.681 84 Y HA 0.107 nan 4.550 nan 0.000 0.267 84 Y C -0.824 175.022 175.900 -0.090 0.000 1.166 84 Y CA -0.893 57.147 58.100 -0.101 0.000 1.209 84 Y CB -0.354 38.029 38.460 -0.128 0.000 1.161 84 Y HN -0.722 7.332 8.280 -0.128 0.149 0.534 85 Q N -0.692 119.094 119.800 -0.023 0.000 2.195 85 Q HA 0.168 nan 4.340 nan 0.000 0.250 85 Q C -1.656 174.023 176.000 -0.535 0.000 0.988 85 Q CA -1.367 54.342 55.803 -0.157 0.000 0.911 85 Q CB 2.984 31.716 28.738 -0.010 0.000 1.258 85 Q HN -0.692 7.414 8.270 -0.006 0.160 0.475 86 K N -0.801 119.218 120.400 -0.636 0.000 2.385 86 K HA 0.782 nan 4.320 nan 0.000 0.248 86 K C -1.342 174.764 176.600 -0.823 0.000 0.955 86 K CA -1.642 54.222 56.287 -0.705 0.000 0.816 86 K CB 3.820 36.136 32.500 -0.307 0.000 1.250 86 K HN 0.059 8.049 8.250 -0.434 0.000 0.434 87 A N 1.400 123.838 122.820 -0.637 0.000 2.272 87 A HA 0.352 nan 4.320 nan 0.000 0.275 87 A C 1.117 178.648 177.584 -0.088 0.000 1.096 87 A CA -0.974 50.940 52.037 -0.205 0.000 0.822 87 A CB 0.740 19.774 19.000 0.056 0.000 1.088 87 A HN 0.870 8.598 8.150 -0.533 0.102 0.495 88 D N 1.190 121.595 120.400 0.009 0.000 2.182 88 D HA -0.318 nan 4.640 nan 0.000 0.201 88 D C 1.206 177.511 176.300 0.009 0.000 0.986 88 D CA 3.034 57.050 54.000 0.027 0.000 0.847 88 D CB -0.327 40.517 40.800 0.073 0.000 0.942 88 D HN 0.729 9.543 8.370 0.051 -0.413 0.467 89 D N -3.919 116.484 120.400 0.005 0.000 2.371 89 D HA -0.086 nan 4.640 nan 0.000 0.234 89 D C 1.243 177.534 176.300 -0.015 0.000 1.049 89 D CA -0.173 53.828 54.000 0.002 0.000 0.907 89 D CB -0.984 39.821 40.800 0.009 0.000 0.891 89 D HN -0.254 8.106 8.370 0.012 0.017 0.531 90 G N -1.321 107.457 108.800 -0.037 0.000 2.176 90 G HA2 -0.478 nan 3.960 nan 0.000 0.253 90 G HA3 -0.478 nan 3.960 nan 0.000 0.253 90 G C -0.263 174.596 174.900 -0.067 0.000 0.979 90 G CA -0.111 44.960 45.100 -0.049 0.000 0.641 90 G HN 0.003 8.062 8.290 -0.044 0.205 0.530 91 R N 0.962 121.420 120.500 -0.070 0.000 2.357 91 R HA 0.378 nan 4.340 nan 0.000 0.296 91 R C -2.354 173.865 176.300 -0.135 0.000 1.052 91 R CA -2.875 53.184 56.100 -0.069 0.000 0.988 91 R CB 0.377 30.662 30.300 -0.025 0.000 1.025 91 R HN -0.413 8.030 8.270 -0.057 -0.208 0.469 92 P HA 0.045 nan 4.420 nan 0.000 0.271 92 P C 0.521 177.768 177.300 -0.087 0.000 1.216 92 P CA 0.364 63.365 63.100 -0.165 0.000 0.776 92 P CB 0.322 31.969 31.700 -0.088 0.000 0.881 93 F N 3.810 123.714 119.950 -0.077 0.000 2.087 93 F HA -0.362 nan 4.527 nan 0.000 0.299 93 F C -0.331 175.411 175.800 -0.098 0.000 1.100 93 F CA 4.951 62.895 58.000 -0.094 0.000 1.226 93 F CB -3.300 35.633 39.000 -0.112 0.000 0.983 93 F HN 0.597 8.681 8.300 -0.361 0.000 0.479 94 P HA -0.242 nan 4.420 nan 0.000 0.219 94 P C 1.738 179.043 177.300 0.009 0.000 1.146 94 P CA 2.879 65.976 63.100 -0.006 0.000 0.808 94 P CB -0.665 30.993 31.700 -0.070 0.000 0.779 95 Q N -2.468 117.342 119.800 0.016 0.000 2.137 95 Q HA -0.158 nan 4.340 nan 0.000 0.198 95 Q C 2.600 178.618 176.000 0.029 0.000 0.960 95 Q CA 2.553 58.365 55.803 0.015 0.000 0.847 95 Q CB -0.870 27.869 28.738 0.003 0.000 0.915 95 Q HN 0.163 8.303 8.270 0.014 0.138 0.448 96 V N 1.735 121.683 119.914 0.057 0.000 2.287 96 V HA -0.342 nan 4.120 nan 0.000 0.248 96 V C 2.841 178.957 176.094 0.037 0.000 1.053 96 V CA 3.995 66.332 62.300 0.063 0.000 1.027 96 V CB -0.766 31.134 31.823 0.129 0.000 0.646 96 V HN -0.750 7.403 8.190 0.079 0.084 0.447 97 I N -0.990 119.598 120.570 0.030 0.000 2.163 97 I HA -0.649 nan 4.170 nan 0.000 0.243 97 I C 1.627 177.756 176.117 0.020 0.000 1.085 97 I CA 4.510 65.817 61.300 0.012 0.000 1.347 97 I CB -0.482 37.517 38.000 -0.002 0.000 1.044 97 I HN 0.035 8.273 8.210 0.047 0.000 0.408 98 K N -1.662 118.750 120.400 0.021 0.000 2.097 98 K HA -0.325 nan 4.320 nan 0.000 0.205 98 K C 3.194 179.806 176.600 0.020 0.000 1.050 98 K CA 3.402 59.702 56.287 0.022 0.000 0.938 98 K CB -0.302 32.209 32.500 0.019 0.000 0.718 98 K HN -0.410 7.852 8.250 0.019 0.000 0.442 99 S N 0.953 116.664 115.700 0.019 0.000 2.423 99 S HA -0.168 nan 4.470 nan 0.000 0.231 99 S C 1.112 175.722 174.600 0.017 0.000 1.014 99 S CA 2.992 61.202 58.200 0.017 0.000 0.965 99 S CB -0.453 62.758 63.200 0.017 0.000 0.785 99 S HN 0.063 8.385 8.310 0.020 0.000 0.495 100 K N -0.266 120.145 120.400 0.018 0.000 2.458 100 K HA 0.077 nan 4.320 nan 0.000 0.194 100 K C -0.234 176.377 176.600 0.018 0.000 1.024 100 K CA -0.308 55.990 56.287 0.018 0.000 1.108 100 K CB -0.114 32.399 32.500 0.021 0.000 0.846 100 K HN -0.777 7.367 8.250 0.020 0.118 0.518 101 G N -2.398 106.412 108.800 0.018 0.000 2.176 101 G HA2 -0.327 nan 3.960 nan 0.000 0.253 101 G HA3 -0.327 nan 3.960 nan 0.000 0.253 101 G C -0.407 174.504 174.900 0.019 0.000 0.979 101 G CA -0.100 45.009 45.100 0.016 0.000 0.641 101 G HN -0.255 7.841 8.290 0.018 0.205 0.530 102 G N -1.285 107.530 108.800 0.026 0.000 2.477 102 G HA2 0.385 nan 3.960 nan 0.000 0.304 102 G HA3 0.385 nan 3.960 nan 0.000 0.304 102 G C -0.968 173.968 174.900 0.060 0.000 1.175 102 G CA -1.202 43.920 45.100 0.036 0.000 0.907 102 G HN -0.603 7.655 8.290 0.026 0.047 0.509 103 V N 1.007 120.983 119.914 0.102 0.000 2.532 103 V HA 0.256 nan 4.120 nan 0.000 0.295 103 V C -0.580 175.670 176.094 0.260 0.000 1.041 103 V CA -0.488 61.918 62.300 0.176 0.000 0.926 103 V CB 1.803 33.745 31.823 0.198 0.000 0.992 103 V HN 0.257 8.379 8.190 0.089 0.121 0.457 104 V N 3.380 123.367 119.914 0.122 0.000 2.439 104 V HA 0.619 nan 4.120 nan 0.000 0.282 104 V C -0.556 175.285 176.094 -0.423 0.000 1.039 104 V CA -1.694 60.562 62.300 -0.073 0.000 0.913 104 V CB 0.557 32.318 31.823 -0.103 0.000 0.983 104 V HN 0.661 8.911 8.190 0.101 0.000 0.460 105 G N 4.265 112.529 108.800 -0.894 0.000 2.537 105 G HA2 0.980 nan 3.960 nan 0.000 0.308 105 G HA3 0.980 nan 3.960 nan 0.000 0.308 105 G C -3.242 171.205 174.900 -0.756 0.000 1.237 105 G CA -1.823 42.305 45.100 -1.620 0.000 0.968 105 G HN 0.663 8.616 8.290 -0.561 0.000 0.481 106 I N -0.367 119.850 120.570 -0.588 0.000 2.569 106 I HA 0.507 nan 4.170 nan 0.000 0.290 106 I C -2.539 173.440 176.117 -0.229 0.000 1.088 106 I CA -2.458 58.583 61.300 -0.432 0.000 1.047 106 I CB 4.414 41.996 38.000 -0.696 0.000 1.237 106 I HN 0.337 8.190 8.210 -0.595 0.000 0.421 107 K N 8.653 128.978 120.400 -0.126 0.000 2.349 107 K HA 0.219 nan 4.320 nan 0.000 0.288 107 K C -0.294 176.318 176.600 0.021 0.000 1.058 107 K CA 0.566 56.849 56.287 -0.006 0.000 0.953 107 K CB 0.676 33.218 32.500 0.069 0.000 0.997 107 K HN 0.125 8.297 8.250 -0.129 0.000 0.477 108 V N -1.106 118.860 119.914 0.087 0.000 3.605 108 V HA 0.351 nan 4.120 nan 0.000 0.284 108 V C -0.690 175.453 176.094 0.081 0.000 1.386 108 V CA -1.443 60.968 62.300 0.184 0.000 1.053 108 V CB 0.364 32.411 31.823 0.374 0.000 0.857 108 V HN 0.620 8.866 8.190 0.093 0.000 0.436 109 D N 0.535 120.821 120.400 -0.189 0.000 2.344 109 D HA 0.067 nan 4.640 nan 0.000 0.244 109 D C 0.177 176.256 176.300 -0.369 0.000 1.134 109 D CA 0.002 53.596 54.000 -0.677 0.000 0.930 109 D CB 0.965 40.971 40.800 -1.322 0.000 1.175 109 D HN -0.706 7.559 8.370 -0.175 0.000 0.437 110 K N 0.772 120.936 120.400 -0.394 0.000 2.861 110 K HA 0.061 nan 4.320 nan 0.000 0.210 110 K C -0.073 176.412 176.600 -0.192 0.000 1.112 110 K CA -0.728 55.444 56.287 -0.190 0.000 1.076 110 K CB -0.097 32.342 32.500 -0.102 0.000 0.853 110 K HN 0.401 8.196 8.250 -0.589 0.102 0.463 111 G N -0.433 108.210 108.800 -0.262 0.000 2.756 111 G HA2 -0.320 nan 3.960 nan 0.000 0.678 111 G HA3 -0.320 nan 3.960 nan 0.000 0.678 111 G C -2.380 172.402 174.900 -0.196 0.000 1.349 111 G CA -0.634 44.346 45.100 -0.200 0.000 0.847 111 G HN -0.462 7.836 8.290 -0.354 -0.221 0.548 112 V N -4.289 115.543 119.914 -0.135 0.000 2.743 112 V HA 0.742 nan 4.120 nan 0.000 0.301 112 V C -0.559 175.500 176.094 -0.058 0.000 1.057 112 V CA -2.061 60.182 62.300 -0.095 0.000 1.006 112 V CB 1.146 32.926 31.823 -0.072 0.000 1.024 112 V HN -0.185 7.935 8.190 -0.117 0.000 0.473 113 V N -2.797 117.096 119.914 -0.035 0.000 2.876 113 V HA 0.697 nan 4.120 nan 0.000 0.312 113 V C -2.630 173.460 176.094 -0.008 0.000 1.085 113 V CA -4.131 58.158 62.300 -0.018 0.000 0.945 113 V CB 2.909 34.727 31.823 -0.009 0.000 1.017 113 V HN 0.953 9.126 8.190 -0.029 0.000 0.428 114 P HA 0.396 nan 4.420 nan 0.000 0.272 114 P C -1.318 175.985 177.300 0.005 0.000 1.223 114 P CA -0.479 62.620 63.100 -0.000 0.000 0.784 114 P CB 0.702 32.402 31.700 -0.001 0.000 0.923 115 L N 2.150 123.377 121.223 0.007 0.000 2.265 115 L HA 0.230 nan 4.340 nan 0.000 0.289 115 L C -0.369 176.506 176.870 0.008 0.000 1.033 115 L CA -1.163 53.683 54.840 0.010 0.000 0.814 115 L CB 1.111 43.178 42.059 0.012 0.000 1.203 115 L HN 0.478 8.712 8.230 0.006 0.000 0.423 116 A N 5.772 128.597 122.820 0.008 0.000 2.445 116 A HA -0.115 nan 4.320 nan 0.000 0.242 116 A C 0.712 178.298 177.584 0.004 0.000 1.075 116 A CA 0.742 52.782 52.037 0.006 0.000 0.777 116 A CB -0.202 18.802 19.000 0.005 0.000 1.013 116 A HN 0.655 8.810 8.150 0.009 0.000 0.493 117 G N 1.805 110.606 108.800 0.002 0.000 2.143 117 G HA2 -0.225 nan 3.960 nan 0.000 0.249 117 G HA3 -0.225 nan 3.960 nan 0.000 0.249 117 G C -0.377 174.523 174.900 -0.001 0.000 0.981 117 G CA 0.111 45.210 45.100 -0.001 0.000 0.665 117 G HN 0.430 8.722 8.290 0.002 0.000 0.528 118 T N -3.072 111.485 114.554 0.005 0.000 2.910 118 T HA 0.176 nan 4.350 nan 0.000 0.287 118 T C -0.781 173.928 174.700 0.016 0.000 1.050 118 T CA -2.280 59.826 62.100 0.010 0.000 1.011 118 T CB 2.476 71.351 68.868 0.013 0.000 1.195 118 T HN -0.556 7.644 8.240 0.006 0.043 0.540 119 N N 2.308 121.025 118.700 0.029 0.000 3.034 119 N HA -0.005 nan 4.740 nan 0.000 0.265 119 N C 0.822 176.348 175.510 0.026 0.000 1.166 119 N CA -1.568 51.505 53.050 0.038 0.000 1.081 119 N CB -0.999 37.533 38.487 0.076 0.000 1.378 119 N HN 0.460 8.861 8.380 0.034 0.000 0.520 120 G N 3.429 112.238 108.800 0.016 0.000 2.198 120 G HA2 -0.481 nan 3.960 nan 0.000 0.260 120 G HA3 -0.481 nan 3.960 nan 0.000 0.260 120 G C -0.926 173.977 174.900 0.005 0.000 1.025 120 G CA 0.675 45.780 45.100 0.009 0.000 0.769 120 G HN -0.171 8.086 8.290 0.015 0.042 0.507 121 E N -0.730 119.474 120.200 0.008 0.000 2.283 121 E HA 0.361 nan 4.350 nan 0.000 0.267 121 E C -0.822 175.780 176.600 0.003 0.000 1.045 121 E CA -0.747 55.656 56.400 0.005 0.000 0.884 121 E CB 1.617 31.323 29.700 0.009 0.000 1.106 121 E HN -0.677 7.670 8.360 0.011 0.020 0.408 122 T N -3.743 110.812 114.554 0.001 0.000 2.864 122 T HA 0.713 nan 4.350 nan 0.000 0.289 122 T C -1.494 173.212 174.700 0.011 0.000 1.082 122 T CA -2.189 59.912 62.100 0.001 0.000 1.009 122 T CB 2.699 71.561 68.868 -0.011 0.000 1.234 122 T HN 0.237 8.477 8.240 0.000 0.000 0.526 123 T N 0.098 114.661 114.554 0.016 0.000 2.804 123 T HA 0.425 nan 4.350 nan 0.000 0.290 123 T C -1.933 172.787 174.700 0.032 0.000 1.099 123 T CA -1.708 60.417 62.100 0.042 0.000 1.011 123 T CB 2.971 71.873 68.868 0.056 0.000 1.291 123 T HN 0.520 8.764 8.240 0.007 0.000 0.523 124 T N 2.884 117.490 114.554 0.087 0.000 2.863 124 T HA 0.691 nan 4.350 nan 0.000 0.285 124 T C -0.817 173.930 174.700 0.078 0.000 1.009 124 T CA -0.698 61.394 62.100 -0.014 0.000 0.989 124 T CB 1.505 70.278 68.868 -0.158 0.000 1.004 124 T HN 0.173 8.515 8.240 0.169 0.000 0.455 125 Q N 2.442 122.183 119.800 -0.098 0.000 2.240 125 Q HA 0.461 nan 4.340 nan 0.000 0.260 125 Q C 0.171 176.085 176.000 -0.144 0.000 1.018 125 Q CA -1.781 54.027 55.803 0.008 0.000 0.898 125 Q CB 2.022 30.759 28.738 -0.001 0.000 1.301 125 Q HN 0.700 8.852 8.270 -0.196 0.000 0.469 126 G N -1.696 107.185 108.800 0.135 0.000 2.559 126 G HA2 -0.154 nan 3.960 nan 0.000 0.202 126 G HA3 -0.154 nan 3.960 nan 0.000 0.202 126 G C -0.153 174.998 174.900 0.419 0.000 0.992 126 G CA 0.371 45.569 45.100 0.163 0.000 0.764 126 G HN 0.413 8.824 8.290 0.202 0.000 0.525 127 L N -0.635 120.841 121.223 0.422 0.000 2.217 127 L HA -0.132 nan 4.340 nan 0.000 0.211 127 L C -0.452 176.515 176.870 0.161 0.000 1.107 127 L CA 1.210 56.209 54.840 0.264 0.000 0.783 127 L CB -0.397 41.763 42.059 0.168 0.000 0.919 127 L HN -0.163 8.319 8.230 0.421 0.000 0.442 128 D N 0.030 120.509 120.400 0.130 0.000 2.434 128 D HA -0.047 nan 4.640 nan 0.000 0.252 128 D C 1.126 177.468 176.300 0.071 0.000 1.185 128 D CA 1.361 55.410 54.000 0.082 0.000 0.886 128 D CB -0.804 40.033 40.800 0.061 0.000 1.148 128 D HN -0.231 8.223 8.370 0.139 0.000 0.483 129 G N 3.886 112.718 108.800 0.053 0.000 2.166 129 G HA2 -0.399 nan 3.960 nan 0.000 0.260 129 G HA3 -0.399 nan 3.960 nan 0.000 0.260 129 G C 0.711 175.641 174.900 0.050 0.000 0.986 129 G CA 0.895 46.017 45.100 0.036 0.000 0.683 129 G HN 0.454 8.774 8.290 0.050 0.000 0.527 130 L N 0.241 121.519 121.223 0.091 0.000 2.131 130 L HA -0.257 nan 4.340 nan 0.000 0.210 130 L C 0.792 177.717 176.870 0.091 0.000 1.092 130 L CA 2.912 57.830 54.840 0.130 0.000 0.759 130 L CB -0.302 41.873 42.059 0.193 0.000 0.903 130 L HN -0.398 7.733 8.230 0.100 0.159 0.435 131 S N -0.798 114.937 115.700 0.059 0.000 2.356 131 S HA -0.404 nan 4.470 nan 0.000 0.223 131 S C 2.116 176.728 174.600 0.020 0.000 1.032 131 S CA 4.399 62.622 58.200 0.039 0.000 1.005 131 S CB -0.751 62.465 63.200 0.027 0.000 0.867 131 S HN 0.340 8.666 8.310 0.057 0.018 0.449 132 E N 0.816 121.018 120.200 0.002 0.000 2.106 132 E HA -0.249 nan 4.350 nan 0.000 0.192 132 E C 2.638 179.196 176.600 -0.071 0.000 0.984 132 E CA 3.121 59.506 56.400 -0.025 0.000 0.806 132 E CB -0.523 29.160 29.700 -0.028 0.000 0.750 132 E HN -0.186 8.180 8.360 0.009 0.000 0.458 133 R N 0.123 120.572 120.500 -0.086 0.000 2.073 133 R HA -0.268 nan 4.340 nan 0.000 0.234 133 R C 2.334 178.485 176.300 -0.248 0.000 1.134 133 R CA 3.467 59.418 56.100 -0.248 0.000 0.952 133 R CB -0.112 30.102 30.300 -0.142 0.000 0.850 133 R HN -0.370 7.880 8.270 -0.032 0.000 0.433 134 C N -1.450 117.865 119.300 0.025 0.000 2.413 134 C HA -0.251 nan 4.460 nan 0.000 0.277 134 C C 2.043 177.086 174.990 0.087 0.000 1.265 134 C CA 4.098 63.206 59.018 0.150 0.000 1.752 134 C CB -2.054 25.770 27.740 0.140 0.000 1.998 134 C HN 0.293 8.554 8.230 0.052 0.000 0.489 135 A N -0.611 122.223 122.820 0.023 0.000 1.902 135 A HA -0.327 nan 4.320 nan 0.000 0.217 135 A C 1.873 179.465 177.584 0.013 0.000 1.181 135 A CA 3.409 55.457 52.037 0.019 0.000 0.623 135 A CB -0.950 18.052 19.000 0.003 0.000 0.818 135 A HN -0.058 8.009 8.150 0.006 0.087 0.443 136 Q N -0.706 119.066 119.800 -0.047 0.000 2.046 136 Q HA -0.254 nan 4.340 nan 0.000 0.200 136 Q C 2.374 178.408 176.000 0.056 0.000 0.975 136 Q CA 2.519 58.296 55.803 -0.042 0.000 0.836 136 Q CB -0.320 28.334 28.738 -0.138 0.000 0.896 136 Q HN -0.367 7.770 8.270 -0.096 0.076 0.428 137 Y N -0.815 119.537 120.300 0.087 0.000 2.165 137 Y HA -0.434 nan 4.550 nan 0.000 0.286 137 Y C 2.267 178.176 175.900 0.016 0.000 1.155 137 Y CA 1.991 60.122 58.100 0.051 0.000 1.164 137 Y CB -0.678 37.809 38.460 0.045 0.000 0.978 137 Y HN 0.374 8.575 8.280 -0.132 0.000 0.513 138 K N -0.877 119.635 120.400 0.187 0.000 2.026 138 K HA -0.373 nan 4.320 nan 0.000 0.208 138 K C 2.628 179.276 176.600 0.080 0.000 1.048 138 K CA 2.722 59.074 56.287 0.108 0.000 0.929 138 K CB -0.382 32.169 32.500 0.085 0.000 0.713 138 K HN 0.069 8.431 8.250 0.187 0.000 0.439 139 K N -1.273 119.173 120.400 0.077 0.000 2.147 139 K HA -0.215 nan 4.320 nan 0.000 0.205 139 K C 1.274 177.913 176.600 0.065 0.000 1.049 139 K CA 2.576 58.899 56.287 0.060 0.000 0.936 139 K CB -0.069 32.462 32.500 0.052 0.000 0.722 139 K HN -0.605 7.693 8.250 0.081 0.000 0.446 140 D N -3.403 117.051 120.400 0.091 0.000 2.325 140 D HA 0.036 nan 4.640 nan 0.000 0.234 140 D C 0.260 176.560 176.300 -0.000 0.000 1.122 140 D CA -0.046 53.995 54.000 0.069 0.000 0.850 140 D CB -0.348 40.533 40.800 0.134 0.000 0.921 140 D HN -0.379 7.949 8.370 0.123 0.116 0.513 141 G N -2.518 106.289 108.800 0.012 0.000 2.213 141 G HA2 -0.397 nan 3.960 nan 0.000 0.226 141 G HA3 -0.397 nan 3.960 nan 0.000 0.226 141 G C -0.859 174.025 174.900 -0.025 0.000 0.992 141 G CA -0.066 45.027 45.100 -0.012 0.000 0.632 141 G HN -0.443 7.787 8.290 0.036 0.082 0.511 142 A N 0.051 122.852 122.820 -0.031 0.000 2.363 142 A HA 0.090 nan 4.320 nan 0.000 0.270 142 A C -1.097 176.488 177.584 0.002 0.000 1.121 142 A CA -0.050 51.942 52.037 -0.075 0.000 0.800 142 A CB 0.790 19.708 19.000 -0.135 0.000 1.052 142 A HN -0.313 7.839 8.150 0.003 0.000 0.493 143 D N 0.160 120.577 120.400 0.028 0.000 2.479 143 D HA 0.440 nan 4.640 nan 0.000 0.216 143 D C -0.926 175.508 176.300 0.223 0.000 1.110 143 D CA 1.122 55.197 54.000 0.126 0.000 0.841 143 D CB 3.451 44.342 40.800 0.152 0.000 1.040 143 D HN 0.480 8.841 8.370 -0.016 0.000 0.505 144 F N -3.048 116.910 119.950 0.013 0.000 2.626 144 F HA 0.945 nan 4.527 nan 0.000 0.311 144 F C -2.892 172.933 175.800 0.041 0.000 1.088 144 F CA -2.201 55.812 58.000 0.021 0.000 0.949 144 F CB 3.317 42.320 39.000 0.005 0.000 1.322 144 F HN -0.633 7.626 8.300 -0.069 0.000 0.461 145 A N -1.739 121.224 122.820 0.240 0.000 2.485 145 A HA 0.834 nan 4.320 nan 0.000 0.292 145 A C -2.492 175.305 177.584 0.355 0.000 1.147 145 A CA -1.644 50.508 52.037 0.191 0.000 0.750 145 A CB 3.497 22.682 19.000 0.310 0.000 1.331 145 A HN 0.956 9.329 8.150 0.372 0.000 0.419 146 K N -1.127 119.435 120.400 0.269 0.000 2.468 146 K HA 0.767 nan 4.320 nan 0.000 0.252 146 K C -2.614 174.038 176.600 0.086 0.000 0.932 146 K CA -1.190 55.232 56.287 0.224 0.000 0.794 146 K CB 4.103 36.684 32.500 0.135 0.000 1.241 146 K HN 0.160 8.519 8.250 0.181 0.000 0.428 147 W N 5.816 126.916 121.300 -0.333 0.000 3.042 147 W HA 0.259 nan 4.660 nan 0.000 0.337 147 W C -3.177 173.158 176.519 -0.307 0.000 1.086 147 W CA -1.123 55.880 57.345 -0.569 0.000 1.236 147 W CB 3.913 32.465 29.460 -1.514 0.000 1.381 147 W HN 0.036 8.268 8.180 0.088 0.000 0.472 148 R N 6.190 126.561 120.500 -0.215 0.000 2.343 148 R HA 0.615 nan 4.340 nan 0.000 0.320 148 R C -1.599 174.645 176.300 -0.094 0.000 0.956 148 R CA -1.202 54.844 56.100 -0.089 0.000 0.836 148 R CB 2.623 32.861 30.300 -0.104 0.000 1.151 148 R HN 0.055 8.305 8.270 -0.491 -0.275 0.450 149 C N 7.604 126.930 119.300 0.044 0.000 2.411 149 C HA 0.610 nan 4.460 nan 0.000 0.330 149 C C -1.570 173.425 174.990 0.008 0.000 1.224 149 C CA -0.594 58.453 59.018 0.049 0.000 1.770 149 C CB 2.090 29.898 27.740 0.112 0.000 2.297 149 C HN 0.687 8.961 8.230 0.074 0.000 0.507 150 V N 3.677 123.586 119.914 -0.008 0.000 2.495 150 V HA 0.729 nan 4.120 nan 0.000 0.298 150 V C -1.561 174.526 176.094 -0.012 0.000 1.031 150 V CA -0.817 61.474 62.300 -0.015 0.000 0.871 150 V CB 1.245 33.052 31.823 -0.027 0.000 0.988 150 V HN 0.440 8.625 8.190 -0.007 0.000 0.432 151 L N 5.615 126.829 121.223 -0.016 0.000 2.401 151 L HA 0.540 nan 4.340 nan 0.000 0.266 151 L C -1.857 174.993 176.870 -0.034 0.000 0.991 151 L CA -0.928 53.900 54.840 -0.021 0.000 0.818 151 L CB 4.017 46.064 42.059 -0.021 0.000 1.321 151 L HN 0.948 9.167 8.230 -0.018 0.000 0.413 152 K N 0.413 120.791 120.400 -0.038 0.000 2.316 152 K HA 0.443 nan 4.320 nan 0.000 0.251 152 K C -1.413 175.139 176.600 -0.079 0.000 0.934 152 K CA -1.583 54.672 56.287 -0.054 0.000 0.802 152 K CB 2.752 35.230 32.500 -0.037 0.000 1.171 152 K HN 0.282 8.515 8.250 -0.029 0.000 0.426 153 I N 3.098 123.585 120.570 -0.138 0.000 2.315 153 I HA 0.326 nan 4.170 nan 0.000 0.291 153 I C -0.693 175.336 176.117 -0.145 0.000 1.006 153 I CA -0.371 60.803 61.300 -0.210 0.000 1.265 153 I CB 0.425 38.113 38.000 -0.520 0.000 1.387 153 I HN 0.606 8.731 8.210 -0.141 0.000 0.475 154 G N 5.639 114.376 108.800 -0.105 0.000 2.782 154 G HA2 0.292 nan 3.960 nan 0.000 0.304 154 G HA3 0.292 nan 3.960 nan 0.000 0.304 154 G C -1.256 173.571 174.900 -0.123 0.000 1.315 154 G CA 0.174 45.221 45.100 -0.088 0.000 0.791 154 G HN -0.027 8.114 8.290 -0.095 0.091 0.519 155 E N -1.416 118.660 120.200 -0.207 0.000 2.153 155 E HA -0.193 nan 4.350 nan 0.000 0.194 155 E C 0.315 176.663 176.600 -0.421 0.000 0.988 155 E CA 1.832 58.009 56.400 -0.372 0.000 0.811 155 E CB 0.338 29.683 29.700 -0.592 0.000 0.746 155 E HN 0.488 8.735 8.360 -0.188 0.000 0.466 156 H N -4.502 114.564 119.070 -0.007 0.000 2.916 156 H HA 0.260 nan 4.556 nan 0.000 0.262 156 H C -1.350 173.975 175.328 -0.005 0.000 1.178 156 H CA -0.845 55.201 56.048 -0.003 0.000 1.090 156 H CB 0.851 30.613 29.762 -0.001 0.000 1.657 156 H HN -0.339 7.798 8.280 -0.186 0.031 0.601 157 T N -1.993 112.590 114.554 0.049 0.000 2.906 157 T HA 0.418 nan 4.350 nan 0.000 0.295 157 T C -2.581 172.114 174.700 -0.009 0.000 1.061 157 T CA -3.184 58.931 62.100 0.025 0.000 1.000 157 T CB 1.720 70.594 68.868 0.011 0.000 1.103 157 T HN -0.895 7.232 8.240 -0.006 0.110 0.486 158 P HA 0.123 nan 4.420 nan 0.000 0.276 158 P C -1.015 176.300 177.300 0.024 0.000 1.230 158 P CA -0.776 62.327 63.100 0.005 0.000 0.776 158 P CB 0.371 32.067 31.700 -0.007 0.000 0.888 159 S N 3.331 119.048 115.700 0.027 0.000 2.632 159 S HA 0.050 nan 4.470 nan 0.000 0.267 159 S C 1.290 175.903 174.600 0.021 0.000 1.276 159 S CA -1.213 57.006 58.200 0.032 0.000 0.998 159 S CB 2.254 65.471 63.200 0.029 0.000 0.953 159 S HN 0.036 8.819 8.310 0.023 -0.459 0.547 160 A N 1.757 124.590 122.820 0.021 0.000 1.940 160 A HA -0.207 nan 4.320 nan 0.000 0.219 160 A C 1.756 179.347 177.584 0.011 0.000 1.176 160 A CA 3.084 55.130 52.037 0.015 0.000 0.631 160 A CB -0.806 18.203 19.000 0.016 0.000 0.814 160 A HN 0.695 8.860 8.150 0.025 0.000 0.446 161 L N -0.829 120.401 121.223 0.011 0.000 1.994 161 L HA -0.325 nan 4.340 nan 0.000 0.208 161 L C 1.562 178.438 176.870 0.011 0.000 1.071 161 L CA 2.168 57.014 54.840 0.011 0.000 0.745 161 L CB -0.534 41.531 42.059 0.010 0.000 0.892 161 L HN -0.502 7.725 8.230 0.013 0.010 0.431 162 A N -0.837 121.990 122.820 0.011 0.000 1.908 162 A HA -0.382 nan 4.320 nan 0.000 0.218 162 A C 2.280 179.867 177.584 0.005 0.000 1.181 162 A CA 3.128 55.171 52.037 0.010 0.000 0.627 162 A CB -0.912 18.093 19.000 0.009 0.000 0.818 162 A HN -0.504 7.653 8.150 0.012 0.000 0.445 163 I N -1.481 119.090 120.570 0.002 0.000 2.202 163 I HA -0.570 nan 4.170 nan 0.000 0.242 163 I C 1.855 177.966 176.117 -0.010 0.000 1.091 163 I CA 4.159 65.455 61.300 -0.007 0.000 1.368 163 I CB -0.051 37.944 38.000 -0.009 0.000 1.058 163 I HN -0.267 7.946 8.210 0.005 0.000 0.410 164 M N 0.308 119.907 119.600 -0.003 0.000 2.086 164 M HA -0.470 nan 4.480 nan 0.000 0.261 164 M C 1.786 178.086 176.300 -0.000 0.000 1.067 164 M CA 4.066 59.366 55.300 -0.001 0.000 1.116 164 M CB 0.061 32.664 32.600 0.006 0.000 1.348 164 M HN -0.095 8.196 8.290 0.001 0.000 0.407 165 E N -0.312 119.892 120.200 0.007 0.000 2.051 165 E HA -0.372 nan 4.350 nan 0.000 0.192 165 E C 2.323 178.930 176.600 0.012 0.000 0.991 165 E CA 3.015 59.424 56.400 0.014 0.000 0.799 165 E CB -0.591 29.123 29.700 0.023 0.000 0.748 165 E HN 0.318 8.683 8.360 0.009 0.000 0.449 166 N N -0.686 118.023 118.700 0.014 0.000 2.188 166 N HA -0.280 nan 4.740 nan 0.000 0.184 166 N C 2.236 177.734 175.510 -0.021 0.000 1.018 166 N CA 3.162 56.226 53.050 0.024 0.000 0.858 166 N CB -0.023 38.481 38.487 0.028 0.000 0.989 166 N HN -0.257 8.130 8.380 0.011 0.000 0.426 167 A N -0.323 122.469 122.820 -0.046 0.000 1.933 167 A HA -0.276 nan 4.320 nan 0.000 0.218 167 A C 2.066 179.568 177.584 -0.135 0.000 1.175 167 A CA 3.118 55.099 52.037 -0.093 0.000 0.628 167 A CB -0.541 18.413 19.000 -0.077 0.000 0.814 167 A HN -0.097 8.035 8.150 -0.031 0.000 0.444 168 N N -1.877 116.764 118.700 -0.099 0.000 2.171 168 N HA -0.213 nan 4.740 nan 0.000 0.184 168 N C 2.095 177.466 175.510 -0.232 0.000 1.021 168 N CA 3.021 55.987 53.050 -0.140 0.000 0.854 168 N CB 0.426 38.905 38.487 -0.013 0.000 0.994 168 N HN -0.416 7.932 8.380 -0.053 0.000 0.426 169 V N 0.843 120.674 119.914 -0.139 0.000 2.548 169 V HA -0.303 nan 4.120 nan 0.000 0.249 169 V C 1.312 177.175 176.094 -0.385 0.000 1.055 169 V CA 3.197 65.395 62.300 -0.169 0.000 1.065 169 V CB -0.590 31.253 31.823 0.033 0.000 0.681 169 V HN -0.091 8.056 8.190 -0.071 0.000 0.462 170 L N -1.069 119.968 121.223 -0.310 0.000 2.056 170 L HA -0.397 nan 4.340 nan 0.000 0.207 170 L C 1.727 178.423 176.870 -0.291 0.000 1.078 170 L CA 3.485 58.129 54.840 -0.327 0.000 0.749 170 L CB -0.723 41.235 42.059 -0.168 0.000 0.901 170 L HN -0.175 7.939 8.230 -0.193 0.000 0.433 171 A N -1.171 121.423 122.820 -0.378 0.000 1.930 171 A HA -0.306 nan 4.320 nan 0.000 0.217 171 A C 2.288 179.587 177.584 -0.475 0.000 1.175 171 A CA 3.185 54.939 52.037 -0.472 0.000 0.627 171 A CB -0.891 17.664 19.000 -0.741 0.000 0.815 171 A HN -0.319 7.610 8.150 -0.369 0.000 0.443 172 R N -1.471 118.742 120.500 -0.478 0.000 2.073 172 R HA -0.284 nan 4.340 nan 0.000 0.234 172 R C 1.997 178.149 176.300 -0.246 0.000 1.134 172 R CA 2.388 58.323 56.100 -0.275 0.000 0.952 172 R CB -0.529 29.653 30.300 -0.197 0.000 0.850 172 R HN -0.416 7.470 8.270 -0.505 0.081 0.433 173 Y N 0.829 120.810 120.300 -0.532 0.000 2.128 173 Y HA -0.462 nan 4.550 nan 0.000 0.284 173 Y C 1.177 176.907 175.900 -0.284 0.000 1.154 173 Y CA 3.185 60.955 58.100 -0.551 0.000 1.149 173 Y CB -0.552 37.221 38.460 -1.145 0.000 0.976 173 Y HN -0.300 7.720 8.280 -0.434 0.000 0.505 174 A N -2.463 119.933 122.820 -0.706 0.000 1.908 174 A HA -0.478 nan 4.320 nan 0.000 0.218 174 A C 2.040 179.418 177.584 -0.344 0.000 1.181 174 A CA 3.088 54.736 52.037 -0.649 0.000 0.627 174 A CB -1.308 17.474 19.000 -0.363 0.000 0.818 174 A HN 0.318 8.209 8.150 -0.432 0.000 0.445 175 S N -1.094 114.475 115.700 -0.217 0.000 2.356 175 S HA -0.286 nan 4.470 nan 0.000 0.223 175 S C 2.132 176.684 174.600 -0.079 0.000 1.032 175 S CA 3.241 61.389 58.200 -0.086 0.000 1.005 175 S CB -0.203 62.991 63.200 -0.011 0.000 0.867 175 S HN -0.401 7.766 8.310 -0.239 0.000 0.449 176 I N 1.040 121.549 120.570 -0.101 0.000 2.286 176 I HA -0.519 nan 4.170 nan 0.000 0.248 176 I C 1.586 177.671 176.117 -0.054 0.000 1.115 176 I CA 3.860 65.129 61.300 -0.051 0.000 1.392 176 I CB -0.064 37.925 38.000 -0.018 0.000 1.065 176 I HN -0.462 7.665 8.210 -0.139 0.000 0.418 177 C N -0.613 118.605 119.300 -0.137 0.000 2.432 177 C HA -0.447 nan 4.460 nan 0.000 0.277 177 C C 2.485 177.447 174.990 -0.047 0.000 1.249 177 C CA 4.245 63.203 59.018 -0.102 0.000 1.725 177 C CB -1.760 25.835 27.740 -0.243 0.000 2.028 177 C HN -0.142 7.936 8.230 -0.252 0.000 0.477 178 Q N -1.658 118.105 119.800 -0.060 0.000 2.226 178 Q HA -0.365 nan 4.340 nan 0.000 0.204 178 Q C 3.216 179.218 176.000 0.003 0.000 0.975 178 Q CA 3.109 58.908 55.803 -0.006 0.000 0.866 178 Q CB -0.469 28.280 28.738 0.017 0.000 0.915 178 Q HN -0.173 8.030 8.270 -0.111 0.000 0.440 179 Q N -1.532 118.266 119.800 -0.003 0.000 2.291 179 Q HA -0.158 nan 4.340 nan 0.000 0.205 179 Q C 0.835 176.841 176.000 0.010 0.000 0.970 179 Q CA 2.003 57.808 55.803 0.003 0.000 0.876 179 Q CB -0.288 28.453 28.738 0.005 0.000 0.935 179 Q HN -0.437 7.799 8.270 -0.015 0.024 0.455 180 N N -2.647 116.063 118.700 0.017 0.000 2.238 180 N HA 0.072 nan 4.740 nan 0.000 0.222 180 N C -0.338 175.195 175.510 0.038 0.000 1.133 180 N CA -0.144 52.923 53.050 0.030 0.000 0.854 180 N CB 0.581 39.094 38.487 0.042 0.000 1.041 180 N HN -0.563 7.673 8.380 0.012 0.151 0.510 181 G N -0.246 108.574 108.800 0.033 0.000 2.179 181 G HA2 -0.515 nan 3.960 nan 0.000 0.257 181 G HA3 -0.515 nan 3.960 nan 0.000 0.257 181 G C -1.228 173.708 174.900 0.061 0.000 1.010 181 G CA 1.018 46.143 45.100 0.043 0.000 0.736 181 G HN -0.458 7.683 8.290 0.024 0.163 0.513 182 I N -0.190 120.416 120.570 0.060 0.000 2.354 182 I HA 0.325 nan 4.170 nan 0.000 0.292 182 I C -0.673 175.486 176.117 0.070 0.000 0.989 182 I CA -0.694 60.655 61.300 0.082 0.000 1.188 182 I CB 1.812 39.867 38.000 0.091 0.000 1.342 182 I HN -0.462 7.739 8.210 0.044 0.036 0.457 183 V N 8.024 128.008 119.914 0.115 0.000 2.470 183 V HA 0.167 nan 4.120 nan 0.000 0.276 183 V C -1.874 174.281 176.094 0.101 0.000 1.040 183 V CA -2.811 59.543 62.300 0.089 0.000 1.008 183 V CB -0.164 31.707 31.823 0.080 0.000 0.990 183 V HN 0.681 8.965 8.190 0.157 0.000 0.477 184 P HA 0.526 nan 4.420 nan 0.000 0.296 184 P C -1.461 175.904 177.300 0.109 0.000 1.306 184 P CA -1.420 61.668 63.100 -0.020 0.000 0.818 184 P CB 0.748 32.176 31.700 -0.453 0.000 0.969 185 I N 3.815 124.553 120.570 0.281 0.000 2.312 185 I HA 0.211 nan 4.170 nan 0.000 0.291 185 I C -0.062 176.211 176.117 0.260 0.000 1.031 185 I CA -0.574 60.842 61.300 0.193 0.000 1.293 185 I CB 0.616 38.729 38.000 0.188 0.000 1.403 185 I HN 0.368 8.828 8.210 0.416 0.000 0.484 186 V N 9.946 129.942 119.914 0.136 0.000 2.389 186 V HA 0.042 nan 4.120 nan 0.000 0.264 186 V C -1.640 174.482 176.094 0.047 0.000 1.049 186 V CA -0.176 62.188 62.300 0.106 0.000 0.932 186 V CB -0.690 31.111 31.823 -0.036 0.000 1.011 186 V HN 0.900 9.123 8.190 0.054 0.000 0.475 187 E N 8.224 128.469 120.200 0.076 0.000 2.256 187 E HA 0.607 nan 4.350 nan 0.000 0.243 187 E C -2.733 173.890 176.600 0.039 0.000 0.925 187 E CA -3.974 52.454 56.400 0.047 0.000 0.748 187 E CB 2.847 32.583 29.700 0.059 0.000 1.206 187 E HN -0.094 8.339 8.360 0.121 0.000 0.428 188 P HA 0.228 nan 4.420 nan 0.000 0.227 188 P C -1.796 175.507 177.300 0.004 0.000 1.815 188 P CA -0.895 62.205 63.100 0.000 0.000 1.134 188 P CB -0.711 30.968 31.700 -0.034 0.000 1.795 189 E N 3.998 124.205 120.200 0.011 0.000 2.257 189 E HA 0.050 nan 4.350 nan 0.000 0.278 189 E C -1.382 175.217 176.600 -0.002 0.000 1.049 189 E CA -0.740 55.667 56.400 0.012 0.000 0.876 189 E CB 1.008 30.717 29.700 0.014 0.000 1.035 189 E HN 0.169 8.538 8.360 0.015 0.000 0.419 190 I N 7.519 128.087 120.570 -0.002 0.000 2.304 190 I HA 0.165 nan 4.170 nan 0.000 0.291 190 I C -0.086 176.015 176.117 -0.026 0.000 1.018 190 I CA -0.776 60.511 61.300 -0.021 0.000 1.260 190 I CB 0.314 38.298 38.000 -0.026 0.000 1.390 190 I HN -0.027 8.475 8.210 0.010 -0.286 0.475 191 L N 9.683 130.881 121.223 -0.041 0.000 2.485 191 L HA 0.012 nan 4.340 nan 0.000 0.275 191 L C -0.598 176.230 176.870 -0.069 0.000 1.207 191 L CA -1.470 53.335 54.840 -0.058 0.000 0.855 191 L CB -0.180 41.845 42.059 -0.056 0.000 1.114 191 L HN 0.671 8.876 8.230 -0.042 0.000 0.485 192 P HA 0.083 nan 4.420 nan 0.000 0.257 192 P C -1.421 175.692 177.300 -0.313 0.000 1.281 192 P CA -0.014 62.946 63.100 -0.234 0.000 0.826 192 P CB 0.362 31.779 31.700 -0.472 0.000 1.237 193 D N 0.278 120.561 120.400 -0.194 0.000 2.424 193 D HA -0.124 nan 4.640 nan 0.000 0.244 193 D C 0.121 176.443 176.300 0.037 0.000 1.134 193 D CA 1.964 55.892 54.000 -0.120 0.000 0.881 193 D CB 0.133 40.894 40.800 -0.065 0.000 1.191 193 D HN -0.483 7.716 8.370 -0.148 0.083 0.445 194 G N 0.154 108.923 108.800 -0.052 0.000 2.408 194 G HA2 -0.241 nan 3.960 nan 0.000 0.682 194 G HA3 -0.241 nan 3.960 nan 0.000 0.682 194 G C -2.313 172.474 174.900 -0.187 0.000 1.303 194 G CA -0.421 44.674 45.100 -0.007 0.000 0.966 194 G HN -0.260 7.959 8.290 -0.119 0.000 0.560 195 D N -3.172 117.155 120.400 -0.121 0.000 2.501 195 D HA 0.091 nan 4.640 nan 0.000 0.226 195 D C -0.761 175.455 176.300 -0.140 0.000 1.198 195 D CA -0.674 53.219 54.000 -0.178 0.000 0.830 195 D CB -0.957 39.778 40.800 -0.109 0.000 1.014 195 D HN 0.142 8.503 8.370 -0.014 0.000 0.496 196 H N -2.875 116.167 119.070 -0.046 0.000 2.707 196 H HA 0.012 nan 4.556 nan 0.000 0.359 196 H C -0.163 175.166 175.328 0.003 0.000 1.113 196 H CA -1.466 54.568 56.048 -0.024 0.000 1.422 196 H CB 1.284 31.026 29.762 -0.034 0.000 1.443 196 H HN -0.502 7.519 8.280 -0.288 0.085 0.591 197 D N 0.457 120.919 120.400 0.103 0.000 2.440 197 D HA -0.039 nan 4.640 nan 0.000 0.269 197 D C 0.797 177.129 176.300 0.054 0.000 1.249 197 D CA -0.627 53.440 54.000 0.112 0.000 1.055 197 D CB 0.803 41.716 40.800 0.188 0.000 1.104 197 D HN 0.159 8.607 8.370 0.131 0.000 0.561 198 L N -1.329 119.836 121.223 -0.096 0.000 2.046 198 L HA -0.238 nan 4.340 nan 0.000 0.208 198 L C 1.626 178.465 176.870 -0.052 0.000 1.077 198 L CA 3.273 57.959 54.840 -0.256 0.000 0.747 198 L CB 0.205 41.848 42.059 -0.692 0.000 0.896 198 L HN -0.211 8.025 8.230 0.010 0.000 0.432 199 K N -2.315 118.098 120.400 0.022 0.000 2.097 199 K HA -0.348 nan 4.320 nan 0.000 0.205 199 K C 2.435 179.089 176.600 0.091 0.000 1.050 199 K CA 2.659 58.983 56.287 0.061 0.000 0.938 199 K CB -0.735 31.807 32.500 0.069 0.000 0.718 199 K HN -0.036 8.243 8.250 0.049 0.000 0.442 200 R N -0.131 120.422 120.500 0.089 0.000 2.075 200 R HA -0.226 nan 4.340 nan 0.000 0.232 200 R C 1.919 178.276 176.300 0.095 0.000 1.126 200 R CA 3.341 59.493 56.100 0.087 0.000 0.963 200 R CB -0.181 30.162 30.300 0.072 0.000 0.858 200 R HN -0.405 8.178 8.270 0.091 -0.258 0.435 201 C N -0.618 118.740 119.300 0.097 0.000 2.440 201 C HA -0.236 nan 4.460 nan 0.000 0.278 201 C C 1.713 176.734 174.990 0.051 0.000 1.295 201 C CA 2.879 61.929 59.018 0.053 0.000 1.738 201 C CB -1.933 25.866 27.740 0.097 0.000 1.987 201 C HN -0.429 7.885 8.230 0.141 0.000 0.492 202 Q N 0.582 120.421 119.800 0.066 0.000 2.050 202 Q HA -0.392 nan 4.340 nan 0.000 0.202 202 Q C 1.718 177.766 176.000 0.080 0.000 0.980 202 Q CA 3.472 59.312 55.803 0.063 0.000 0.840 202 Q CB -0.184 28.592 28.738 0.063 0.000 0.898 202 Q HN -0.201 8.032 8.270 0.063 0.075 0.424 203 Y N 0.220 120.521 120.300 0.002 0.000 2.097 203 Y HA -0.496 nan 4.550 nan 0.000 0.282 203 Y C 2.022 177.919 175.900 -0.006 0.000 1.152 203 Y CA 4.028 62.129 58.100 0.002 0.000 1.136 203 Y CB 0.160 38.620 38.460 0.001 0.000 0.975 203 Y HN -0.118 8.302 8.280 0.235 0.000 0.498 204 V N -1.908 118.063 119.914 0.096 0.000 2.343 204 V HA -0.575 nan 4.120 nan 0.000 0.247 204 V C 2.039 178.097 176.094 -0.060 0.000 1.051 204 V CA 4.764 67.063 62.300 -0.001 0.000 1.036 204 V CB -1.243 30.583 31.823 0.005 0.000 0.654 204 V HN 0.224 8.534 8.190 0.200 0.000 0.451 205 T N 1.873 116.408 114.554 -0.032 0.000 2.720 205 T HA -0.392 nan 4.350 nan 0.000 0.268 205 T C 1.792 176.465 174.700 -0.045 0.000 1.037 205 T CA 5.285 67.371 62.100 -0.024 0.000 1.144 205 T CB -0.632 68.240 68.868 0.008 0.000 0.864 205 T HN 0.238 8.475 8.240 -0.005 0.000 0.444 206 E N 1.111 121.265 120.200 -0.077 0.000 2.077 206 E HA -0.402 nan 4.350 nan 0.000 0.193 206 E C 2.464 178.988 176.600 -0.127 0.000 0.989 206 E CA 3.353 59.696 56.400 -0.095 0.000 0.800 206 E CB -0.201 29.425 29.700 -0.123 0.000 0.746 206 E HN -0.138 8.175 8.360 -0.078 0.000 0.452 207 K N -1.108 119.164 120.400 -0.212 0.000 2.057 207 K HA -0.177 nan 4.320 nan 0.000 0.206 207 K C 2.701 179.248 176.600 -0.089 0.000 1.050 207 K CA 2.214 58.392 56.287 -0.182 0.000 0.935 207 K CB -0.529 31.827 32.500 -0.240 0.000 0.715 207 K HN -0.435 7.648 8.250 -0.280 0.000 0.439 208 V N 0.749 120.620 119.914 -0.072 0.000 2.295 208 V HA -0.324 nan 4.120 nan 0.000 0.246 208 V C 2.019 178.094 176.094 -0.032 0.000 1.049 208 V CA 4.631 66.903 62.300 -0.045 0.000 1.024 208 V CB -0.701 31.099 31.823 -0.039 0.000 0.648 208 V HN 0.074 8.213 8.190 -0.086 0.000 0.447 209 L N -2.070 119.148 121.223 -0.009 0.000 2.093 209 L HA -0.396 nan 4.340 nan 0.000 0.208 209 L C 1.918 178.859 176.870 0.117 0.000 1.085 209 L CA 3.240 58.113 54.840 0.055 0.000 0.755 209 L CB -0.975 41.140 42.059 0.094 0.000 0.904 209 L HN 0.165 8.384 8.230 -0.019 0.000 0.435 210 A N -1.050 121.806 122.820 0.059 0.000 1.902 210 A HA -0.370 nan 4.320 nan 0.000 0.217 210 A C 1.720 179.332 177.584 0.047 0.000 1.181 210 A CA 3.142 55.218 52.037 0.066 0.000 0.623 210 A CB -1.098 17.909 19.000 0.011 0.000 0.818 210 A HN -0.159 7.998 8.150 0.012 0.000 0.443 211 A N -2.022 120.799 122.820 0.001 0.000 1.898 211 A HA -0.263 nan 4.320 nan 0.000 0.216 211 A C 2.049 179.602 177.584 -0.051 0.000 1.181 211 A CA 3.079 55.105 52.037 -0.018 0.000 0.620 211 A CB -0.621 18.363 19.000 -0.028 0.000 0.819 211 A HN -0.501 7.642 8.150 -0.011 0.000 0.442 212 V N -0.102 119.751 119.914 -0.101 0.000 2.287 212 V HA -0.474 nan 4.120 nan 0.000 0.248 212 V C 2.027 177.914 176.094 -0.345 0.000 1.053 212 V CA 4.900 67.052 62.300 -0.247 0.000 1.027 212 V CB -0.916 30.700 31.823 -0.345 0.000 0.646 212 V HN -0.123 8.023 8.190 -0.073 0.000 0.447 213 Y N -2.212 118.063 120.300 -0.041 0.000 2.373 213 Y HA -0.382 nan 4.550 nan 0.000 0.293 213 Y C 2.015 177.903 175.900 -0.020 0.000 1.129 213 Y CA 3.630 61.710 58.100 -0.034 0.000 1.226 213 Y CB -0.719 37.721 38.460 -0.033 0.000 1.000 213 Y HN -0.041 8.229 8.280 -0.018 0.000 0.549 214 K N 0.276 120.720 120.400 0.075 0.000 2.097 214 K HA -0.335 nan 4.320 nan 0.000 0.205 214 K C 1.845 178.459 176.600 0.024 0.000 1.050 214 K CA 1.876 58.191 56.287 0.047 0.000 0.938 214 K CB -0.726 31.792 32.500 0.031 0.000 0.718 214 K HN -0.282 8.006 8.250 0.063 0.000 0.442 215 A N -0.522 122.295 122.820 -0.005 0.000 1.902 215 A HA -0.194 nan 4.320 nan 0.000 0.217 215 A C 2.277 179.882 177.584 0.035 0.000 1.181 215 A CA 3.060 55.110 52.037 0.021 0.000 0.623 215 A CB -0.911 18.054 19.000 -0.059 0.000 0.818 215 A HN -0.218 7.913 8.150 -0.032 0.000 0.443 216 L N -2.896 118.293 121.223 -0.058 0.000 2.083 216 L HA -0.464 nan 4.340 nan 0.000 0.209 216 L C 2.095 178.982 176.870 0.027 0.000 1.083 216 L CA 2.994 57.807 54.840 -0.046 0.000 0.752 216 L CB -0.623 41.383 42.059 -0.089 0.000 0.899 216 L HN -0.036 8.127 8.230 -0.111 0.000 0.433 217 S N -0.930 114.793 115.700 0.038 0.000 2.355 217 S HA -0.312 nan 4.470 nan 0.000 0.222 217 S C 2.579 177.137 174.600 -0.071 0.000 1.031 217 S CA 3.620 61.836 58.200 0.027 0.000 0.993 217 S CB -0.283 62.943 63.200 0.044 0.000 0.859 217 S HN -0.242 8.091 8.310 0.046 0.005 0.453 218 D N 2.156 122.512 120.400 -0.074 0.000 2.149 218 D HA -0.221 nan 4.640 nan 0.000 0.198 218 D C 1.813 177.831 176.300 -0.470 0.000 0.990 218 D CA 2.864 56.737 54.000 -0.211 0.000 0.839 218 D CB -0.076 40.660 40.800 -0.106 0.000 0.948 218 D HN -0.151 8.148 8.370 -0.005 0.067 0.460 219 H N -3.942 114.950 119.070 -0.296 0.000 2.536 219 H HA 0.117 nan 4.556 nan 0.000 0.276 219 H C -1.188 174.042 175.328 -0.163 0.000 1.019 219 H CA 0.224 56.122 56.048 -0.250 0.000 1.159 219 H CB -0.028 29.662 29.762 -0.120 0.000 1.373 219 H HN -0.551 7.782 8.280 0.112 0.014 0.584 220 H N -5.202 113.924 119.070 0.093 0.000 2.770 220 H HA -0.375 nan 4.556 nan 0.000 0.309 220 H C -0.694 174.688 175.328 0.090 0.000 1.206 220 H CA 0.481 56.575 56.048 0.077 0.000 1.147 220 H CB -2.553 27.243 29.762 0.057 0.000 1.422 220 H HN -0.329 7.536 8.280 -0.335 0.215 0.420 221 I N -1.663 118.996 120.570 0.149 0.000 2.474 221 I HA -0.131 nan 4.170 nan 0.000 0.287 221 I C -0.321 175.898 176.117 0.170 0.000 1.048 221 I CA -2.008 59.364 61.300 0.120 0.000 1.383 221 I CB 0.174 38.195 38.000 0.035 0.000 1.412 221 I HN -0.191 8.083 8.210 0.106 0.000 0.531 222 Y N 8.438 128.759 120.300 0.036 0.000 2.613 222 Y HA 0.022 nan 4.550 nan 0.000 0.354 222 Y C -0.294 175.626 175.900 0.034 0.000 1.063 222 Y CA -1.034 57.089 58.100 0.038 0.000 1.384 222 Y CB -0.555 37.922 38.460 0.028 0.000 1.199 222 Y HN 0.108 8.876 8.280 0.245 -0.341 0.517 223 L N 7.821 128.933 121.223 -0.186 0.000 2.079 223 L HA -0.505 nan 4.340 nan 0.000 0.210 223 L C 1.752 178.422 176.870 -0.334 0.000 1.081 223 L CA 3.336 58.070 54.840 -0.176 0.000 0.752 223 L CB -0.784 41.241 42.059 -0.058 0.000 0.896 223 L HN 0.210 8.396 8.230 -0.073 0.000 0.433 224 E N -0.969 118.826 120.200 -0.675 0.000 2.265 224 E HA -0.180 nan 4.350 nan 0.000 0.196 224 E C 1.454 177.805 176.600 -0.414 0.000 0.996 224 E CA 2.731 58.801 56.400 -0.549 0.000 0.832 224 E CB -0.779 28.559 29.700 -0.603 0.000 0.756 224 E HN 0.500 8.287 8.360 -0.954 0.000 0.491 225 G N -3.275 105.248 108.800 -0.463 0.000 3.591 225 G HA2 0.159 nan 3.960 nan 0.000 0.282 225 G HA3 0.159 nan 3.960 nan 0.000 0.282 225 G C -0.868 174.001 174.900 -0.052 0.000 1.238 225 G CA -0.647 44.424 45.100 -0.048 0.000 0.993 225 G HN -0.452 7.203 8.290 -0.789 0.162 0.542 226 T N -2.649 111.838 114.554 -0.112 0.000 2.841 226 T HA 0.413 nan 4.350 nan 0.000 0.296 226 T C -1.983 172.649 174.700 -0.112 0.000 1.166 226 T CA -2.107 59.943 62.100 -0.084 0.000 1.007 226 T CB 3.134 71.965 68.868 -0.062 0.000 1.253 226 T HN -0.691 7.371 8.240 -0.164 0.080 0.511 227 L N -1.675 119.489 121.223 -0.098 0.000 2.409 227 L HA 0.883 nan 4.340 nan 0.000 0.262 227 L C -2.231 174.576 176.870 -0.105 0.000 0.992 227 L CA -0.993 53.765 54.840 -0.138 0.000 0.817 227 L CB 4.429 46.381 42.059 -0.179 0.000 1.350 227 L HN -0.190 8.003 8.230 -0.062 0.000 0.411 228 L N 1.974 123.105 121.223 -0.153 0.000 2.307 228 L HA 0.648 nan 4.340 nan 0.000 0.284 228 L C -2.439 174.316 176.870 -0.192 0.000 1.023 228 L CA -1.186 53.569 54.840 -0.143 0.000 0.810 228 L CB 2.922 44.888 42.059 -0.155 0.000 1.231 228 L HN 0.700 8.805 8.230 -0.209 0.000 0.423 229 K N 7.478 127.808 120.400 -0.118 0.000 2.562 229 K HA 0.452 nan 4.320 nan 0.000 0.206 229 K C -2.408 174.159 176.600 -0.054 0.000 1.033 229 K CA -3.315 52.915 56.287 -0.095 0.000 1.029 229 K CB 0.741 33.233 32.500 -0.014 0.000 1.393 229 K HN 0.617 8.724 8.250 -0.073 0.099 0.539 230 P HA 0.271 nan 4.420 nan 0.000 0.292 230 P C -1.804 175.590 177.300 0.158 0.000 1.304 230 P CA -1.707 61.399 63.100 0.010 0.000 0.848 230 P CB 1.998 33.681 31.700 -0.029 0.000 1.260 231 N N -2.572 116.222 118.700 0.155 0.000 2.483 231 N HA 0.088 nan 4.740 nan 0.000 0.269 231 N C -0.733 174.926 175.510 0.248 0.000 1.209 231 N CA -0.577 52.581 53.050 0.180 0.000 0.969 231 N CB 0.560 39.100 38.487 0.087 0.000 1.173 231 N HN 0.105 8.544 8.380 0.098 0.000 0.475 232 M N -1.609 118.093 119.600 0.170 0.000 2.247 232 M HA 0.077 nan 4.480 nan 0.000 0.326 232 M C -0.089 176.228 176.300 0.028 0.000 1.134 232 M CA 0.411 55.725 55.300 0.024 0.000 1.136 232 M CB 1.308 33.807 32.600 -0.167 0.000 1.454 232 M HN 0.216 8.588 8.290 0.136 0.000 0.467 233 V N 2.832 122.749 119.914 0.005 0.000 2.389 233 V HA 0.088 nan 4.120 nan 0.000 0.264 233 V C -0.751 175.311 176.094 -0.053 0.000 1.049 233 V CA -0.009 62.289 62.300 -0.004 0.000 0.932 233 V CB -1.527 30.298 31.823 0.003 0.000 1.011 233 V HN 0.285 8.469 8.190 -0.010 0.000 0.475 234 T N 4.011 118.535 114.554 -0.049 0.000 2.883 234 T HA 0.537 nan 4.350 nan 0.000 0.296 234 T C -2.791 171.842 174.700 -0.111 0.000 1.117 234 T CA -3.561 58.481 62.100 -0.096 0.000 1.006 234 T CB 1.499 70.344 68.868 -0.037 0.000 1.191 234 T HN -0.288 7.945 8.240 -0.012 0.000 0.508 235 P HA 0.120 nan 4.420 nan 0.000 0.274 235 P C -0.647 176.513 177.300 -0.234 0.000 1.256 235 P CA -0.964 62.027 63.100 -0.182 0.000 0.795 235 P CB 0.869 32.516 31.700 -0.089 0.000 1.038 236 G N -2.740 105.702 108.800 -0.597 0.000 2.544 236 G HA2 0.033 nan 3.960 nan 0.000 0.242 236 G HA3 0.033 nan 3.960 nan 0.000 0.242 236 G C 1.176 175.897 174.900 -0.299 0.000 1.247 236 G CA -0.703 43.922 45.100 -0.792 0.000 0.840 236 G HN 0.300 8.137 8.290 -0.592 0.097 0.578 237 H N 4.706 123.587 119.070 -0.314 0.000 2.426 237 H HA -0.456 nan 4.556 nan 0.000 0.298 237 H C 0.197 175.182 175.328 -0.571 0.000 1.107 237 H CA 2.535 58.393 56.048 -0.317 0.000 1.298 237 H CB 0.047 29.642 29.762 -0.277 0.000 1.377 237 H HN 0.571 8.674 8.280 -0.294 0.000 0.519 238 A N -4.620 117.886 122.820 -0.524 0.000 2.345 238 A HA 0.098 nan 4.320 nan 0.000 0.225 238 A C -0.521 176.908 177.584 -0.259 0.000 1.243 238 A CA -0.606 50.994 52.037 -0.728 0.000 0.875 238 A CB 0.196 18.835 19.000 -0.602 0.000 0.929 238 A HN -0.370 7.517 8.150 -0.386 0.031 0.502 239 C N 1.510 120.703 119.300 -0.180 0.000 2.642 239 C HA 0.001 nan 4.460 nan 0.000 0.420 239 C C 1.071 176.068 174.990 0.010 0.000 1.349 239 C CA 0.912 59.888 59.018 -0.070 0.000 1.821 239 C CB 0.756 28.480 27.740 -0.027 0.000 2.637 239 C HN -0.323 7.588 8.230 -0.212 0.191 0.605 240 T N 3.035 117.585 114.554 -0.006 0.000 3.107 240 T HA -0.031 nan 4.350 nan 0.000 0.249 240 T C -0.674 174.034 174.700 0.013 0.000 1.096 240 T CA -0.064 62.036 62.100 0.000 0.000 1.012 240 T CB -0.581 68.221 68.868 -0.111 0.000 0.977 240 T HN -0.151 8.072 8.240 -0.028 0.000 0.527 241 Q N 1.104 120.893 119.800 -0.017 0.000 2.235 241 Q HA 0.053 nan 4.340 nan 0.000 0.250 241 Q C -0.847 174.991 176.000 -0.269 0.000 0.909 241 Q CA -0.335 55.367 55.803 -0.168 0.000 0.910 241 Q CB 1.399 29.977 28.738 -0.267 0.000 1.223 241 Q HN -0.744 7.468 8.270 0.027 0.074 0.432 242 K N 3.598 123.798 120.400 -0.332 0.000 2.172 242 K HA 0.149 nan 4.320 nan 0.000 0.276 242 K C -1.012 175.315 176.600 -0.455 0.000 1.013 242 K CA -0.175 55.964 56.287 -0.247 0.000 0.913 242 K CB 0.936 33.358 32.500 -0.131 0.000 1.055 242 K HN 0.256 8.326 8.250 -0.300 0.000 0.461 243 Y N 0.570 120.839 120.300 -0.051 0.000 2.524 243 Y HA 0.371 nan 4.550 nan 0.000 0.347 243 Y C -0.713 175.112 175.900 -0.124 0.000 1.005 243 Y CA -1.579 56.483 58.100 -0.062 0.000 1.025 243 Y CB 2.752 41.182 38.460 -0.051 0.000 1.275 243 Y HN -0.014 8.307 8.280 0.068 0.000 0.460 244 S N 1.100 116.838 115.700 0.063 0.000 2.652 244 S HA 0.428 nan 4.470 nan 0.000 0.270 244 S C 0.423 174.991 174.600 -0.053 0.000 1.243 244 S CA -1.469 56.704 58.200 -0.044 0.000 0.999 244 S CB 2.329 65.546 63.200 0.029 0.000 0.973 244 S HN 0.560 9.324 8.310 0.125 -0.380 0.544 245 H N 2.138 121.247 119.070 0.065 0.000 2.491 245 H HA -0.246 nan 4.556 nan 0.000 0.290 245 H C 2.203 177.552 175.328 0.035 0.000 1.050 245 H CA 4.436 60.510 56.048 0.042 0.000 1.309 245 H CB -0.307 29.476 29.762 0.035 0.000 1.392 245 H HN 0.792 9.036 8.280 -0.060 0.000 0.554 246 E N -0.577 119.712 120.200 0.148 0.000 2.150 246 E HA -0.297 nan 4.350 nan 0.000 0.193 246 E C 2.283 178.930 176.600 0.078 0.000 0.985 246 E CA 3.285 59.745 56.400 0.100 0.000 0.814 246 E CB -1.202 28.548 29.700 0.084 0.000 0.752 246 E HN 0.173 8.597 8.360 0.144 0.023 0.466 247 E N 0.208 120.456 120.200 0.080 0.000 2.072 247 E HA -0.250 nan 4.350 nan 0.000 0.190 247 E C 2.543 179.156 176.600 0.022 0.000 0.982 247 E CA 2.773 59.217 56.400 0.073 0.000 0.803 247 E CB -0.074 29.710 29.700 0.141 0.000 0.755 247 E HN -0.730 7.565 8.360 0.088 0.117 0.453 248 I N -0.233 120.341 120.570 0.006 0.000 2.226 248 I HA -0.472 nan 4.170 nan 0.000 0.245 248 I C 1.748 177.856 176.117 -0.015 0.000 1.100 248 I CA 3.674 64.953 61.300 -0.035 0.000 1.374 248 I CB -0.257 37.733 38.000 -0.016 0.000 1.057 248 I HN -0.604 7.628 8.210 0.035 0.000 0.413 249 A N -0.291 122.539 122.820 0.018 0.000 1.877 249 A HA -0.313 nan 4.320 nan 0.000 0.216 249 A C 1.783 179.389 177.584 0.037 0.000 1.186 249 A CA 3.224 55.271 52.037 0.016 0.000 0.620 249 A CB -0.799 18.226 19.000 0.042 0.000 0.822 249 A HN 0.114 8.292 8.150 0.047 0.000 0.443 250 M N -0.584 119.042 119.600 0.045 0.000 2.086 250 M HA -0.374 nan 4.480 nan 0.000 0.261 250 M C 1.873 178.204 176.300 0.051 0.000 1.067 250 M CA 2.122 57.454 55.300 0.053 0.000 1.116 250 M CB -0.460 32.172 32.600 0.053 0.000 1.348 250 M HN -0.111 8.206 8.290 0.046 0.000 0.407 251 A N -2.117 120.722 122.820 0.031 0.000 1.902 251 A HA -0.324 nan 4.320 nan 0.000 0.217 251 A C 1.988 179.597 177.584 0.042 0.000 1.181 251 A CA 3.486 55.538 52.037 0.026 0.000 0.623 251 A CB -1.048 17.944 19.000 -0.013 0.000 0.818 251 A HN 0.127 8.288 8.150 0.018 0.000 0.443 252 T N 2.458 117.033 114.554 0.034 0.000 2.674 252 T HA -0.321 nan 4.350 nan 0.000 0.265 252 T C 1.995 176.772 174.700 0.128 0.000 1.039 252 T CA 5.134 67.272 62.100 0.063 0.000 1.150 252 T CB -0.311 68.550 68.868 -0.011 0.000 0.864 252 T HN -0.218 8.029 8.240 0.012 0.000 0.427 253 V N 0.934 120.931 119.914 0.138 0.000 2.427 253 V HA -0.397 nan 4.120 nan 0.000 0.248 253 V C 1.740 177.945 176.094 0.185 0.000 1.051 253 V CA 4.877 67.299 62.300 0.204 0.000 1.048 253 V CB -1.045 30.890 31.823 0.187 0.000 0.666 253 V HN 0.333 8.584 8.190 0.101 0.000 0.456 254 T N 1.366 115.994 114.554 0.124 0.000 2.708 254 T HA -0.350 nan 4.350 nan 0.000 0.266 254 T C 1.427 176.188 174.700 0.102 0.000 1.037 254 T CA 5.062 67.225 62.100 0.104 0.000 1.146 254 T CB -0.627 68.286 68.868 0.076 0.000 0.865 254 T HN 0.070 8.372 8.240 0.103 0.000 0.435 255 A N 1.405 124.277 122.820 0.087 0.000 1.883 255 A HA -0.262 nan 4.320 nan 0.000 0.217 255 A C 1.945 179.567 177.584 0.063 0.000 1.186 255 A CA 3.069 55.144 52.037 0.063 0.000 0.624 255 A CB -0.827 18.204 19.000 0.051 0.000 0.822 255 A HN -0.247 7.953 8.150 0.084 0.000 0.444 256 L N -3.280 117.991 121.223 0.080 0.000 2.056 256 L HA -0.451 nan 4.340 nan 0.000 0.207 256 L C 2.486 179.475 176.870 0.199 0.000 1.078 256 L CA 2.797 57.639 54.840 0.003 0.000 0.749 256 L CB -0.542 41.429 42.059 -0.146 0.000 0.901 256 L HN -0.325 7.970 8.230 0.109 0.000 0.433 257 R N -1.065 119.646 120.500 0.352 0.000 2.152 257 R HA -0.312 nan 4.340 nan 0.000 0.232 257 R C 2.213 178.618 176.300 0.175 0.000 1.117 257 R CA 3.197 59.498 56.100 0.337 0.000 0.981 257 R CB -0.272 30.148 30.300 0.201 0.000 0.870 257 R HN 0.149 8.598 8.270 0.300 0.000 0.451 258 R N -4.154 116.413 120.500 0.112 0.000 2.275 258 R HA -0.007 nan 4.340 nan 0.000 0.199 258 R C 0.636 176.958 176.300 0.036 0.000 0.989 258 R CA 1.821 57.957 56.100 0.060 0.000 1.016 258 R CB 0.342 30.667 30.300 0.042 0.000 0.918 258 R HN -0.290 7.925 8.270 0.113 0.124 0.473 259 T N -8.118 106.453 114.554 0.029 0.000 3.048 259 T HA 0.141 nan 4.350 nan 0.000 0.254 259 T C 0.085 174.691 174.700 -0.157 0.000 0.942 259 T CA 0.228 62.319 62.100 -0.015 0.000 0.931 259 T CB 1.685 70.565 68.868 0.020 0.000 1.220 259 T HN -0.608 7.502 8.240 0.054 0.162 0.503 260 V N 5.354 125.155 119.914 -0.188 0.000 2.368 260 V HA 0.408 nan 4.120 nan 0.000 0.266 260 V C -2.097 173.942 176.094 -0.092 0.000 1.045 260 V CA -2.775 59.247 62.300 -0.463 0.000 0.899 260 V CB -0.914 30.525 31.823 -0.639 0.000 1.006 260 V HN -0.009 8.150 8.190 -0.052 0.000 0.470 261 P HA 0.204 nan 4.420 nan 0.000 0.266 261 P C -0.809 176.588 177.300 0.162 0.000 1.195 261 P CA -0.870 62.198 63.100 -0.053 0.000 0.768 261 P CB -0.607 31.010 31.700 -0.138 0.000 0.838 262 P HA -0.132 nan 4.420 nan 0.000 0.228 262 P C -0.559 176.784 177.300 0.071 0.000 1.151 262 P CA 1.744 64.856 63.100 0.021 0.000 0.770 262 P CB -0.325 31.280 31.700 -0.158 0.000 0.786 263 A N -3.405 119.438 122.820 0.039 0.000 2.067 263 A HA -0.075 nan 4.320 nan 0.000 0.219 263 A C 0.188 177.767 177.584 -0.009 0.000 1.158 263 A CA 0.933 52.970 52.037 -0.001 0.000 0.661 263 A CB 0.111 19.091 19.000 -0.034 0.000 0.801 263 A HN -0.236 7.874 8.150 0.020 0.052 0.452 264 V N -0.509 119.427 119.914 0.036 0.000 2.493 264 V HA -0.223 nan 4.120 nan 0.000 0.292 264 V C 0.921 177.024 176.094 0.015 0.000 1.016 264 V CA 1.398 63.690 62.300 -0.014 0.000 1.097 264 V CB -0.810 30.962 31.823 -0.085 0.000 0.947 264 V HN -0.735 7.464 8.190 0.079 0.039 0.479 265 T N 7.029 121.512 114.554 -0.118 0.000 2.720 265 T HA -0.130 nan 4.350 nan 0.000 0.268 265 T C -0.403 174.209 174.700 -0.147 0.000 1.037 265 T CA 3.900 65.866 62.100 -0.223 0.000 1.144 265 T CB 0.582 69.160 68.868 -0.483 0.000 0.864 265 T HN 0.285 8.431 8.240 -0.157 0.000 0.444 266 G N -4.036 104.672 108.800 -0.153 0.000 2.646 266 G HA2 0.413 nan 3.960 nan 0.000 0.291 266 G HA3 0.413 nan 3.960 nan 0.000 0.291 266 G C -3.293 171.458 174.900 -0.249 0.000 1.445 266 G CA 0.411 45.422 45.100 -0.149 0.000 0.814 266 G HN -0.821 7.363 8.290 -0.176 0.000 0.495 267 V N 0.010 119.740 119.914 -0.306 0.000 2.407 267 V HA 0.694 nan 4.120 nan 0.000 0.291 267 V C -1.211 174.584 176.094 -0.499 0.000 1.018 267 V CA -1.643 60.361 62.300 -0.493 0.000 0.842 267 V CB 2.025 33.416 31.823 -0.719 0.000 0.996 267 V HN 0.755 8.815 8.190 -0.216 0.000 0.426 268 T N 3.558 117.861 114.554 -0.417 0.000 2.853 268 T HA 0.533 nan 4.350 nan 0.000 0.317 268 T C -0.155 174.423 174.700 -0.205 0.000 1.059 268 T CA -3.028 58.899 62.100 -0.289 0.000 0.954 268 T CB -0.140 68.590 68.868 -0.231 0.000 0.994 268 T HN 0.581 8.604 8.240 -0.362 0.000 0.479 269 F N 6.408 126.371 119.950 0.023 0.000 2.529 269 F HA 0.069 nan 4.527 nan 0.000 0.365 269 F C -0.456 175.507 175.800 0.271 0.000 1.102 269 F CA 0.746 58.824 58.000 0.131 0.000 1.271 269 F CB 0.776 39.889 39.000 0.187 0.000 1.120 269 F HN 0.417 8.734 8.300 0.027 0.000 0.579 270 L N -1.810 119.671 121.223 0.429 0.000 2.357 270 L HA 0.399 nan 4.340 nan 0.000 0.273 270 L C -0.562 176.494 176.870 0.311 0.000 1.080 270 L CA -0.761 54.293 54.840 0.357 0.000 0.803 270 L CB 0.408 42.586 42.059 0.198 0.000 1.174 270 L HN -0.208 8.250 8.230 0.382 0.000 0.443 271 S N 0.842 116.609 115.700 0.111 0.000 2.528 271 S HA -0.070 nan 4.470 nan 0.000 0.219 271 S C 1.086 175.652 174.600 -0.056 0.000 0.985 271 S CA 0.581 58.678 58.200 -0.172 0.000 0.914 271 S CB -0.078 62.686 63.200 -0.727 0.000 0.776 271 S HN 0.490 8.887 8.310 0.145 0.000 0.526 272 G N 1.830 110.639 108.800 0.015 0.000 2.196 272 G HA2 -0.418 nan 3.960 nan 0.000 0.261 272 G HA3 -0.418 nan 3.960 nan 0.000 0.261 272 G C 0.240 175.175 174.900 0.059 0.000 0.832 272 G CA 0.635 45.757 45.100 0.037 0.000 1.246 272 G HN 0.190 8.461 8.290 0.046 0.046 0.383 273 G N -0.285 108.538 108.800 0.039 0.000 2.234 273 G HA2 -0.487 nan 3.960 nan 0.000 0.260 273 G HA3 -0.487 nan 3.960 nan 0.000 0.260 273 G C 0.266 175.171 174.900 0.009 0.000 0.987 273 G CA -0.162 44.972 45.100 0.057 0.000 0.625 273 G HN 0.448 8.746 8.290 0.013 0.000 0.532 274 Q N 0.805 120.592 119.800 -0.022 0.000 2.421 274 Q HA 0.046 nan 4.340 nan 0.000 0.255 274 Q C 0.177 176.128 176.000 -0.081 0.000 1.013 274 Q CA -0.099 55.673 55.803 -0.051 0.000 0.895 274 Q CB 0.921 29.608 28.738 -0.086 0.000 1.271 274 Q HN -0.420 7.645 8.270 -0.030 0.187 0.460 275 S N 1.203 116.869 115.700 -0.057 0.000 2.608 275 S HA -0.051 nan 4.470 nan 0.000 0.261 275 S C 1.117 175.667 174.600 -0.083 0.000 1.314 275 S CA -0.856 57.313 58.200 -0.050 0.000 0.992 275 S CB 1.532 64.719 63.200 -0.020 0.000 0.935 275 S HN 0.284 8.573 8.310 -0.035 0.000 0.564 276 E N 2.311 122.474 120.200 -0.062 0.000 2.058 276 E HA -0.421 nan 4.350 nan 0.000 0.194 276 E C 2.042 178.592 176.600 -0.083 0.000 0.997 276 E CA 3.896 60.251 56.400 -0.076 0.000 0.801 276 E CB -0.307 29.374 29.700 -0.032 0.000 0.746 276 E HN 0.632 8.971 8.360 -0.036 0.000 0.450 277 E N -1.307 118.868 120.200 -0.040 0.000 2.072 277 E HA -0.231 nan 4.350 nan 0.000 0.191 277 E C 1.990 178.566 176.600 -0.040 0.000 0.985 277 E CA 2.662 59.052 56.400 -0.017 0.000 0.801 277 E CB -0.616 29.104 29.700 0.034 0.000 0.750 277 E HN 0.133 8.480 8.360 -0.021 0.000 0.452 278 E N -0.081 120.099 120.200 -0.034 0.000 2.085 278 E HA -0.343 nan 4.350 nan 0.000 0.194 278 E C 2.112 178.669 176.600 -0.072 0.000 0.994 278 E CA 2.919 59.303 56.400 -0.027 0.000 0.801 278 E CB -0.161 29.555 29.700 0.026 0.000 0.743 278 E HN -0.707 7.640 8.360 -0.022 0.000 0.453 279 A N -1.944 120.804 122.820 -0.120 0.000 1.930 279 A HA -0.206 nan 4.320 nan 0.000 0.217 279 A C 2.628 180.186 177.584 -0.043 0.000 1.175 279 A CA 3.193 55.129 52.037 -0.168 0.000 0.627 279 A CB -0.706 18.001 19.000 -0.488 0.000 0.815 279 A HN 0.050 8.122 8.150 -0.130 0.000 0.443 280 S N 0.183 115.817 115.700 -0.109 0.000 2.371 280 S HA -0.251 nan 4.470 nan 0.000 0.224 280 S C 2.039 176.556 174.600 -0.138 0.000 1.029 280 S CA 4.132 62.200 58.200 -0.220 0.000 0.978 280 S CB -0.182 62.676 63.200 -0.571 0.000 0.833 280 S HN -0.628 7.509 8.310 -0.135 0.092 0.466 281 I N 2.362 122.878 120.570 -0.089 0.000 2.163 281 I HA -0.625 nan 4.170 nan 0.000 0.243 281 I C 1.536 177.571 176.117 -0.138 0.000 1.085 281 I CA 4.482 65.721 61.300 -0.101 0.000 1.347 281 I CB -0.431 37.384 38.000 -0.309 0.000 1.044 281 I HN 0.422 8.572 8.210 -0.099 0.000 0.408 282 N N -0.340 118.284 118.700 -0.127 0.000 2.084 282 N HA -0.276 nan 4.740 nan 0.000 0.190 282 N C 2.446 177.924 175.510 -0.053 0.000 1.030 282 N CA 3.175 56.193 53.050 -0.052 0.000 0.849 282 N CB -0.372 38.104 38.487 -0.019 0.000 1.012 282 N HN -0.080 8.224 8.380 -0.128 0.000 0.423 283 L N -0.010 121.199 121.223 -0.024 0.000 2.083 283 L HA -0.301 nan 4.340 nan 0.000 0.209 283 L C 1.424 178.314 176.870 0.035 0.000 1.083 283 L CA 3.038 57.884 54.840 0.010 0.000 0.752 283 L CB -0.119 42.001 42.059 0.101 0.000 0.899 283 L HN -0.313 7.917 8.230 -0.001 0.000 0.433 284 N N -0.495 118.225 118.700 0.033 0.000 2.106 284 N HA -0.349 nan 4.740 nan 0.000 0.188 284 N C 2.064 177.609 175.510 0.060 0.000 1.029 284 N CA 3.351 56.444 53.050 0.071 0.000 0.848 284 N CB -0.054 38.511 38.487 0.131 0.000 1.007 284 N HN 0.023 8.324 8.380 0.011 0.086 0.423 285 A N -0.414 122.430 122.820 0.039 0.000 1.933 285 A HA -0.256 nan 4.320 nan 0.000 0.218 285 A C 2.220 179.834 177.584 0.049 0.000 1.175 285 A CA 2.809 54.875 52.037 0.048 0.000 0.628 285 A CB -0.643 18.394 19.000 0.061 0.000 0.814 285 A HN -0.007 8.153 8.150 0.018 0.000 0.444 286 I N -2.590 117.997 120.570 0.029 0.000 2.226 286 I HA -0.585 nan 4.170 nan 0.000 0.245 286 I C 1.145 177.319 176.117 0.095 0.000 1.100 286 I CA 4.002 65.326 61.300 0.040 0.000 1.374 286 I CB -0.286 37.691 38.000 -0.039 0.000 1.057 286 I HN -0.134 8.069 8.210 0.007 0.011 0.413 287 N N -3.161 115.597 118.700 0.096 0.000 2.457 287 N HA -0.149 nan 4.740 nan 0.000 0.180 287 N C 1.638 177.195 175.510 0.079 0.000 1.050 287 N CA 2.427 55.539 53.050 0.105 0.000 0.906 287 N CB 0.281 38.832 38.487 0.107 0.000 0.968 287 N HN -0.477 7.872 8.380 0.082 0.081 0.445 288 K N -1.778 118.664 120.400 0.069 0.000 2.379 288 K HA -0.001 nan 4.320 nan 0.000 0.194 288 K C -0.007 176.625 176.600 0.053 0.000 1.031 288 K CA 0.024 56.344 56.287 0.056 0.000 1.037 288 K CB 0.396 32.927 32.500 0.051 0.000 0.824 288 K HN -0.610 7.514 8.250 0.068 0.166 0.516 289 C N 4.777 124.114 119.300 0.062 0.000 2.517 289 C HA 0.070 nan 4.460 nan 0.000 0.403 289 C C -0.369 174.651 174.990 0.051 0.000 1.467 289 C CA -1.690 57.364 59.018 0.060 0.000 1.542 289 C CB -0.488 27.297 27.740 0.075 0.000 2.482 289 C HN -0.232 7.883 8.230 0.069 0.156 0.610 290 P HA -0.136 nan 4.420 nan 0.000 0.236 290 P C -1.269 176.044 177.300 0.021 0.000 1.172 290 P CA 0.823 63.940 63.100 0.028 0.000 0.759 290 P CB -0.274 31.441 31.700 0.025 0.000 0.843 291 L N -0.447 120.794 121.223 0.030 0.000 2.418 291 L HA -0.007 nan 4.340 nan 0.000 0.265 291 L C 0.233 177.101 176.870 -0.004 0.000 1.143 291 L CA -0.523 54.328 54.840 0.020 0.000 0.809 291 L CB 0.449 42.532 42.059 0.041 0.000 1.124 291 L HN -0.832 7.333 8.230 0.044 0.091 0.456 292 L N 2.368 123.568 121.223 -0.040 0.000 2.477 292 L HA -0.104 nan 4.340 nan 0.000 0.272 292 L C -0.673 176.092 176.870 -0.174 0.000 1.157 292 L CA 0.920 55.703 54.840 -0.096 0.000 0.889 292 L CB 0.124 42.118 42.059 -0.109 0.000 1.158 292 L HN 0.228 8.439 8.230 -0.033 0.000 0.473 293 K N 8.478 128.760 120.400 -0.196 0.000 2.527 293 K HA 0.363 nan 4.320 nan 0.000 0.240 293 K C -1.712 174.605 176.600 -0.472 0.000 0.989 293 K CA -2.454 53.638 56.287 -0.325 0.000 0.985 293 K CB -0.175 32.336 32.500 0.019 0.000 1.221 293 K HN 0.104 8.272 8.250 -0.136 0.000 0.458 294 P HA 0.019 nan 4.420 nan 0.000 0.245 294 P C -1.509 175.443 177.300 -0.580 0.000 1.212 294 P CA 0.397 63.045 63.100 -0.753 0.000 0.774 294 P CB 0.550 31.751 31.700 -0.832 0.000 0.999 295 W N -3.680 117.595 121.300 -0.042 0.000 2.962 295 W HA 0.263 nan 4.660 nan 0.000 0.341 295 W C -1.544 174.943 176.519 -0.052 0.000 1.155 295 W CA -2.538 54.768 57.345 -0.066 0.000 1.165 295 W CB 1.782 31.182 29.460 -0.099 0.000 1.435 295 W HN -0.790 7.111 8.180 -0.345 0.073 0.546 296 A N -0.381 122.558 122.820 0.198 0.000 2.488 296 A HA 0.155 nan 4.320 nan 0.000 0.249 296 A C -1.658 175.990 177.584 0.106 0.000 1.083 296 A CA 0.330 52.430 52.037 0.105 0.000 0.768 296 A CB 0.847 19.852 19.000 0.008 0.000 1.017 296 A HN 0.257 8.497 8.150 0.151 0.000 0.496 297 L N 4.516 125.827 121.223 0.146 0.000 2.335 297 L HA 0.475 nan 4.340 nan 0.000 0.268 297 L C -1.021 175.964 176.870 0.191 0.000 1.037 297 L CA -1.060 53.897 54.840 0.195 0.000 0.895 297 L CB -0.619 41.661 42.059 0.368 0.000 1.266 297 L HN 0.402 8.722 8.230 0.151 0.000 0.439 298 T N 2.571 117.170 114.554 0.076 0.000 2.644 298 T HA 0.499 nan 4.350 nan 0.000 0.253 298 T C -2.167 172.581 174.700 0.080 0.000 0.910 298 T CA -2.357 59.780 62.100 0.062 0.000 1.066 298 T CB 3.261 72.042 68.868 -0.144 0.000 1.484 298 T HN 0.449 8.659 8.240 -0.050 0.000 0.560 299 F N -4.589 115.224 119.950 -0.228 0.000 2.538 299 F HA 0.962 nan 4.527 nan 0.000 0.325 299 F C -1.718 173.872 175.800 -0.350 0.000 1.066 299 F CA -3.335 54.357 58.000 -0.513 0.000 0.946 299 F CB 3.026 41.311 39.000 -1.193 0.000 1.199 299 F HN -0.065 7.898 8.300 -0.562 0.000 0.473 300 S N 0.620 116.260 115.700 -0.101 0.000 2.440 300 S HA 0.221 nan 4.470 nan 0.000 0.142 300 S C -1.903 172.895 174.600 0.329 0.000 1.578 300 S CA -0.475 57.752 58.200 0.045 0.000 1.260 300 S CB 0.233 63.450 63.200 0.029 0.000 1.407 300 S HN 0.219 8.513 8.310 -0.027 0.000 0.392 301 Y N 2.737 123.210 120.300 0.289 0.000 2.334 301 Y HA 0.190 nan 4.550 nan 0.000 0.328 301 Y C -0.495 175.496 175.900 0.152 0.000 1.130 301 Y CA -1.494 56.729 58.100 0.205 0.000 1.163 301 Y CB 1.604 40.174 38.460 0.183 0.000 1.207 301 Y HN -0.450 8.084 8.280 0.424 0.000 0.471 302 G N 2.208 111.165 108.800 0.262 0.000 2.651 302 G HA2 0.010 nan 3.960 nan 0.000 0.226 302 G HA3 0.010 nan 3.960 nan 0.000 0.226 302 G C 1.049 176.028 174.900 0.132 0.000 1.542 302 G CA 0.489 45.685 45.100 0.159 0.000 0.868 302 G HN 0.340 8.771 8.290 0.235 0.000 0.588 303 R N 3.257 123.807 120.500 0.083 0.000 2.096 303 R HA -0.233 nan 4.340 nan 0.000 0.235 303 R C 1.581 177.906 176.300 0.042 0.000 1.127 303 R CA 2.519 58.654 56.100 0.059 0.000 0.968 303 R CB -0.332 29.984 30.300 0.028 0.000 0.861 303 R HN 0.219 8.531 8.270 0.070 0.000 0.440 304 A N -2.542 120.270 122.820 -0.013 0.000 2.125 304 A HA -0.164 nan 4.320 nan 0.000 0.219 304 A C 0.958 178.574 177.584 0.054 0.000 1.156 304 A CA 2.502 54.496 52.037 -0.072 0.000 0.671 304 A CB -0.602 18.166 19.000 -0.387 0.000 0.794 304 A HN 0.044 8.173 8.150 -0.034 0.000 0.459 305 L N -7.756 113.559 121.223 0.154 0.000 2.609 305 L HA 0.035 nan 4.340 nan 0.000 0.230 305 L C 0.646 177.657 176.870 0.235 0.000 1.087 305 L CA 0.426 55.392 54.840 0.210 0.000 0.874 305 L CB 0.365 42.612 42.059 0.313 0.000 1.114 305 L HN -0.728 7.558 8.230 0.168 0.045 0.488 306 Q N -3.244 116.657 119.800 0.169 0.000 2.378 306 Q HA 0.052 nan 4.340 nan 0.000 0.229 306 Q C 1.556 177.656 176.000 0.168 0.000 0.882 306 Q CA 0.876 56.780 55.803 0.169 0.000 0.936 306 Q CB 1.545 30.386 28.738 0.172 0.000 1.092 306 Q HN -0.804 7.428 8.270 0.143 0.124 0.535 307 A N 1.650 124.541 122.820 0.118 0.000 1.870 307 A HA -0.439 nan 4.320 nan 0.000 0.219 307 A C 1.804 179.450 177.584 0.103 0.000 1.224 307 A CA 3.640 55.732 52.037 0.091 0.000 0.650 307 A CB -0.840 18.192 19.000 0.053 0.000 0.836 307 A HN 0.534 8.745 8.150 0.101 0.000 0.454 308 S N -1.686 114.074 115.700 0.099 0.000 2.447 308 S HA -0.291 nan 4.470 nan 0.000 0.233 308 S C 1.961 176.645 174.600 0.141 0.000 1.006 308 S CA 2.526 60.787 58.200 0.102 0.000 0.957 308 S CB -0.150 63.099 63.200 0.082 0.000 0.773 308 S HN -0.162 8.680 8.310 0.089 -0.479 0.507 309 A N 2.713 125.638 122.820 0.176 0.000 1.872 309 A HA -0.141 nan 4.320 nan 0.000 0.214 309 A C 1.771 179.531 177.584 0.294 0.000 1.187 309 A CA 2.737 54.903 52.037 0.214 0.000 0.614 309 A CB -0.698 18.419 19.000 0.195 0.000 0.826 309 A HN -0.576 7.540 8.150 0.172 0.137 0.442 310 L N -1.187 120.218 121.223 0.304 0.000 2.046 310 L HA -0.345 nan 4.340 nan 0.000 0.208 310 L C 1.649 178.661 176.870 0.237 0.000 1.077 310 L CA 3.025 58.044 54.840 0.300 0.000 0.747 310 L CB -0.289 41.840 42.059 0.116 0.000 0.896 310 L HN 0.286 8.674 8.230 0.263 0.000 0.432 311 K N -1.185 119.306 120.400 0.152 0.000 2.009 311 K HA -0.409 nan 4.320 nan 0.000 0.210 311 K C 1.343 178.010 176.600 0.112 0.000 1.049 311 K CA 2.693 59.036 56.287 0.094 0.000 0.929 311 K CB -0.233 32.310 32.500 0.070 0.000 0.714 311 K HN -0.246 8.091 8.250 0.145 0.000 0.440 312 A N -3.086 119.826 122.820 0.154 0.000 1.933 312 A HA -0.154 nan 4.320 nan 0.000 0.218 312 A C 1.218 178.936 177.584 0.224 0.000 1.175 312 A CA 2.108 54.240 52.037 0.158 0.000 0.628 312 A CB -0.302 18.793 19.000 0.159 0.000 0.814 312 A HN -0.414 7.833 8.150 0.162 0.000 0.444 313 W N 0.335 121.686 121.300 0.085 0.000 2.381 313 W HA -0.270 nan 4.660 nan 0.000 0.323 313 W C 1.226 177.787 176.519 0.071 0.000 1.194 313 W CA 1.625 59.035 57.345 0.109 0.000 1.296 313 W CB 0.691 30.247 29.460 0.161 0.000 1.175 313 W HN -0.478 7.936 8.180 0.418 0.016 0.465 314 G N -2.053 106.598 108.800 -0.249 0.000 2.323 314 G HA2 -0.481 nan 3.960 nan 0.000 0.292 314 G HA3 -0.481 nan 3.960 nan 0.000 0.292 314 G C 0.194 174.601 174.900 -0.822 0.000 1.040 314 G CA 0.873 45.688 45.100 -0.475 0.000 0.942 314 G HN -0.175 8.143 8.290 0.048 0.000 0.506 315 G N -3.267 104.470 108.800 -1.771 0.000 2.353 315 G HA2 -0.500 nan 3.960 nan 0.000 0.258 315 G HA3 -0.500 nan 3.960 nan 0.000 0.258 315 G C -0.131 174.403 174.900 -0.610 0.000 1.013 315 G CA 0.442 44.786 45.100 -1.260 0.000 0.622 315 G HN 0.480 6.967 8.290 -3.005 0.000 0.535 316 K N 2.628 122.765 120.400 -0.438 0.000 2.315 316 K HA -0.060 nan 4.320 nan 0.000 0.291 316 K C 0.240 176.935 176.600 0.158 0.000 1.074 316 K CA -0.666 55.561 56.287 -0.099 0.000 0.936 316 K CB -0.250 32.217 32.500 -0.056 0.000 1.049 316 K HN -0.876 6.937 8.250 -0.531 0.119 0.471 317 K N 7.617 128.111 120.400 0.157 0.000 2.211 317 K HA -0.416 nan 4.320 nan 0.000 0.204 317 K C 1.654 178.418 176.600 0.273 0.000 1.047 317 K CA 3.343 59.792 56.287 0.271 0.000 0.935 317 K CB -0.036 32.492 32.500 0.047 0.000 0.728 317 K HN 0.579 8.845 8.250 0.027 0.000 0.452 318 E N -1.654 118.645 120.200 0.165 0.000 2.097 318 E HA -0.313 nan 4.350 nan 0.000 0.196 318 E C 1.002 177.699 176.600 0.162 0.000 1.000 318 E CA 2.819 59.298 56.400 0.133 0.000 0.804 318 E CB -0.491 29.257 29.700 0.080 0.000 0.740 318 E HN 0.376 8.773 8.360 0.113 0.031 0.454 319 N N -1.141 117.680 118.700 0.202 0.000 2.413 319 N HA -0.028 nan 4.740 nan 0.000 0.207 319 N C 1.350 177.021 175.510 0.267 0.000 1.206 319 N CA -0.028 53.148 53.050 0.212 0.000 0.832 319 N CB -0.509 38.099 38.487 0.203 0.000 1.037 319 N HN -0.524 7.873 8.380 0.209 0.108 0.467 320 L N 2.290 123.678 121.223 0.275 0.000 1.955 320 L HA -0.384 nan 4.340 nan 0.000 0.213 320 L C 0.678 177.620 176.870 0.120 0.000 1.072 320 L CA 4.298 59.268 54.840 0.217 0.000 0.755 320 L CB -0.195 41.992 42.059 0.214 0.000 0.888 320 L HN -0.292 7.992 8.230 0.271 0.109 0.432 321 K N -1.731 118.732 120.400 0.104 0.000 2.063 321 K HA -0.440 nan 4.320 nan 0.000 0.208 321 K C 2.088 178.737 176.600 0.081 0.000 1.048 321 K CA 3.414 59.746 56.287 0.075 0.000 0.928 321 K CB -0.712 31.828 32.500 0.067 0.000 0.713 321 K HN 0.271 8.591 8.250 0.118 0.000 0.442 322 A N -1.866 121.012 122.820 0.097 0.000 1.930 322 A HA -0.113 nan 4.320 nan 0.000 0.217 322 A C 2.002 179.653 177.584 0.111 0.000 1.175 322 A CA 2.508 54.601 52.037 0.094 0.000 0.627 322 A CB -0.951 18.106 19.000 0.094 0.000 0.815 322 A HN -0.052 8.163 8.150 0.108 0.000 0.443 323 A N -1.766 121.139 122.820 0.142 0.000 1.898 323 A HA -0.324 nan 4.320 nan 0.000 0.216 323 A C 2.289 179.949 177.584 0.127 0.000 1.181 323 A CA 2.864 54.999 52.037 0.164 0.000 0.620 323 A CB -0.843 18.297 19.000 0.233 0.000 0.819 323 A HN -0.063 8.180 8.150 0.156 0.000 0.442 324 Q N -1.693 118.160 119.800 0.088 0.000 2.135 324 Q HA -0.417 nan 4.340 nan 0.000 0.204 324 Q C 2.478 178.556 176.000 0.130 0.000 0.981 324 Q CA 3.129 58.990 55.803 0.097 0.000 0.856 324 Q CB -0.097 28.670 28.738 0.048 0.000 0.902 324 Q HN 0.001 8.317 8.270 0.077 0.000 0.425 325 E N -0.092 120.161 120.200 0.089 0.000 2.058 325 E HA -0.361 nan 4.350 nan 0.000 0.194 325 E C 2.380 179.016 176.600 0.060 0.000 0.997 325 E CA 3.032 59.468 56.400 0.061 0.000 0.801 325 E CB -0.611 29.121 29.700 0.053 0.000 0.746 325 E HN -0.199 8.124 8.360 0.084 0.087 0.450 326 E N -1.172 119.083 120.200 0.091 0.000 2.058 326 E HA -0.360 nan 4.350 nan 0.000 0.194 326 E C 2.359 179.018 176.600 0.099 0.000 0.997 326 E CA 2.733 59.187 56.400 0.091 0.000 0.801 326 E CB -0.563 29.206 29.700 0.114 0.000 0.746 326 E HN -0.613 7.809 8.360 0.103 0.000 0.450 327 Y N 0.647 120.954 120.300 0.012 0.000 2.145 327 Y HA -0.389 nan 4.550 nan 0.000 0.286 327 Y C 1.965 177.858 175.900 -0.013 0.000 1.145 327 Y CA 3.277 61.374 58.100 -0.005 0.000 1.148 327 Y CB -0.168 38.273 38.460 -0.031 0.000 0.981 327 Y HN -0.643 7.782 8.280 0.243 0.000 0.507 328 V N -0.406 119.357 119.914 -0.252 0.000 2.332 328 V HA -0.595 nan 4.120 nan 0.000 0.248 328 V C 2.127 178.083 176.094 -0.230 0.000 1.055 328 V CA 4.663 66.770 62.300 -0.322 0.000 1.038 328 V CB -1.185 30.566 31.823 -0.120 0.000 0.651 328 V HN 0.319 8.436 8.190 -0.005 0.070 0.450 329 K N -1.083 119.244 120.400 -0.121 0.000 2.026 329 K HA -0.351 nan 4.320 nan 0.000 0.208 329 K C 2.507 179.041 176.600 -0.111 0.000 1.048 329 K CA 3.658 59.899 56.287 -0.077 0.000 0.929 329 K CB -0.399 32.090 32.500 -0.019 0.000 0.713 329 K HN 0.033 8.230 8.250 -0.076 0.008 0.439 330 R N -1.737 118.686 120.500 -0.128 0.000 2.092 330 R HA -0.214 nan 4.340 nan 0.000 0.231 330 R C 2.360 178.504 176.300 -0.260 0.000 1.119 330 R CA 1.501 57.508 56.100 -0.155 0.000 0.970 330 R CB -1.199 29.059 30.300 -0.070 0.000 0.864 330 R HN -0.409 7.800 8.270 -0.102 0.000 0.440 331 A N 0.378 123.006 122.820 -0.320 0.000 1.877 331 A HA -0.191 nan 4.320 nan 0.000 0.216 331 A C 2.382 179.831 177.584 -0.227 0.000 1.186 331 A CA 3.095 54.940 52.037 -0.319 0.000 0.620 331 A CB -0.903 17.824 19.000 -0.456 0.000 0.822 331 A HN 0.113 8.026 8.150 -0.380 0.009 0.443 332 L N -2.259 118.856 121.223 -0.180 0.000 2.046 332 L HA -0.438 nan 4.340 nan 0.000 0.208 332 L C 2.230 179.043 176.870 -0.095 0.000 1.077 332 L CA 2.797 57.578 54.840 -0.097 0.000 0.747 332 L CB -0.480 41.544 42.059 -0.058 0.000 0.896 332 L HN -0.024 8.013 8.230 -0.200 0.073 0.432 333 A N -0.834 121.895 122.820 -0.151 0.000 1.865 333 A HA -0.430 nan 4.320 nan 0.000 0.217 333 A C 2.070 179.378 177.584 -0.460 0.000 1.191 333 A CA 3.405 55.279 52.037 -0.272 0.000 0.623 333 A CB -0.877 17.886 19.000 -0.394 0.000 0.826 333 A HN 0.487 8.543 8.150 -0.155 0.000 0.444 334 N N -2.292 116.106 118.700 -0.502 0.000 2.309 334 N HA -0.276 nan 4.740 nan 0.000 0.182 334 N C 2.341 177.664 175.510 -0.312 0.000 1.018 334 N CA 2.882 55.553 53.050 -0.631 0.000 0.876 334 N CB -0.444 37.256 38.487 -1.312 0.000 0.972 334 N HN 0.019 8.116 8.380 -0.472 0.000 0.434 335 S N 1.331 116.951 115.700 -0.133 0.000 2.368 335 S HA -0.221 nan 4.470 nan 0.000 0.225 335 S C 1.517 176.153 174.600 0.059 0.000 1.030 335 S CA 3.133 61.381 58.200 0.080 0.000 0.999 335 S CB -0.053 63.180 63.200 0.055 0.000 0.844 335 S HN -0.299 7.781 8.310 -0.197 0.112 0.459 336 L N -0.773 120.469 121.223 0.031 0.000 2.056 336 L HA -0.273 nan 4.340 nan 0.000 0.207 336 L C 1.845 178.773 176.870 0.096 0.000 1.078 336 L CA 2.838 57.731 54.840 0.089 0.000 0.749 336 L CB -0.126 42.038 42.059 0.174 0.000 0.901 336 L HN -0.478 7.748 8.230 -0.006 0.000 0.433 337 A N -0.519 122.318 122.820 0.028 0.000 1.908 337 A HA -0.261 nan 4.320 nan 0.000 0.218 337 A C 2.251 179.879 177.584 0.074 0.000 1.181 337 A CA 3.061 55.116 52.037 0.030 0.000 0.627 337 A CB -0.898 18.023 19.000 -0.132 0.000 0.818 337 A HN 0.192 8.223 8.150 -0.080 0.071 0.445 338 C N -5.560 113.802 119.300 0.102 0.000 2.511 338 C HA -0.039 nan 4.460 nan 0.000 0.277 338 C C 0.885 175.941 174.990 0.109 0.000 1.451 338 C CA 0.118 59.223 59.018 0.145 0.000 1.735 338 C CB -1.822 26.043 27.740 0.209 0.000 1.704 338 C HN -0.249 8.037 8.230 0.092 0.000 0.571 339 Q N -0.815 119.041 119.800 0.093 0.000 2.217 339 Q HA 0.035 nan 4.340 nan 0.000 0.217 339 Q C 0.291 176.334 176.000 0.073 0.000 0.844 339 Q CA -1.190 54.659 55.803 0.075 0.000 0.957 339 Q CB 1.442 30.219 28.738 0.065 0.000 1.127 339 Q HN -0.541 7.585 8.270 0.093 0.200 0.503 340 G N -0.991 107.859 108.800 0.084 0.000 2.176 340 G HA2 -0.280 nan 3.960 nan 0.000 0.252 340 G HA3 -0.280 nan 3.960 nan 0.000 0.252 340 G C -0.234 174.711 174.900 0.075 0.000 1.024 340 G CA 0.738 45.885 45.100 0.079 0.000 0.755 340 G HN -0.237 7.923 8.290 0.093 0.186 0.507 341 K N -4.924 115.530 120.400 0.090 0.000 2.564 341 K HA 0.124 nan 4.320 nan 0.000 0.205 341 K C -0.793 175.869 176.600 0.104 0.000 1.053 341 K CA -1.375 54.956 56.287 0.075 0.000 1.072 341 K CB 0.468 33.001 32.500 0.056 0.000 0.822 341 K HN -0.244 8.044 8.250 0.104 0.025 0.497 342 Y N 4.264 124.560 120.300 -0.006 0.000 2.365 342 Y HA -0.089 nan 4.550 nan 0.000 0.340 342 Y C -0.937 174.951 175.900 -0.019 0.000 1.016 342 Y CA 0.385 58.474 58.100 -0.018 0.000 1.196 342 Y CB 0.507 38.950 38.460 -0.028 0.000 1.167 342 Y HN -0.173 8.603 8.280 0.210 -0.370 0.509 343 T N 3.148 117.396 114.554 -0.511 0.000 2.869 343 T HA 0.142 nan 4.350 nan 0.000 0.295 343 T C -1.115 173.263 174.700 -0.537 0.000 0.987 343 T CA -0.618 61.242 62.100 -0.399 0.000 1.109 343 T CB 0.470 69.184 68.868 -0.258 0.000 0.932 343 T HN 0.250 8.132 8.240 -0.598 0.000 0.518 344 S N 2.196 117.733 115.700 -0.272 0.000 2.735 344 S HA -0.043 nan 4.470 nan 0.000 0.279 344 S C -0.701 173.849 174.600 -0.084 0.000 0.989 344 S CA -0.381 57.711 58.200 -0.180 0.000 0.883 344 S CB 0.539 63.635 63.200 -0.174 0.000 1.117 344 S HN -0.131 8.069 8.310 -0.183 0.000 0.458 345 S N 5.361 121.036 115.700 -0.042 0.000 3.149 345 S HA 0.141 nan 4.470 nan 0.000 0.228 345 S C 0.274 174.890 174.600 0.027 0.000 1.393 345 S CA -0.003 58.193 58.200 -0.008 0.000 1.224 345 S CB -1.360 61.839 63.200 -0.002 0.000 1.112 345 S HN 0.512 8.797 8.310 -0.042 0.000 0.502 346 G N 1.708 110.523 108.800 0.025 0.000 2.296 346 G HA2 -0.415 nan 3.960 nan 0.000 0.282 346 G HA3 -0.415 nan 3.960 nan 0.000 0.282 346 G C -0.111 174.878 174.900 0.148 0.000 1.014 346 G CA 0.527 45.674 45.100 0.078 0.000 0.812 346 G HN -0.370 7.839 8.290 -0.004 0.078 0.508 347 Q N -0.253 119.589 119.800 0.069 0.000 2.485 347 Q HA -0.314 nan 4.340 nan 0.000 0.348 347 Q C -1.217 174.921 176.000 0.231 0.000 1.097 347 Q CA 1.366 57.230 55.803 0.101 0.000 1.079 347 Q CB 0.133 28.898 28.738 0.045 0.000 1.108 347 Q HN -0.685 7.570 8.270 0.018 0.026 0.400 348 A N 3.791 126.724 122.820 0.188 0.000 2.408 348 A HA 0.099 nan 4.320 nan 0.000 0.195 348 A C -0.370 177.262 177.584 0.079 0.000 2.215 348 A CA 0.216 52.358 52.037 0.174 0.000 1.224 348 A CB 0.506 19.613 19.000 0.178 0.000 0.924 348 A HN 0.124 8.349 8.150 0.124 0.000 0.450 349 G N -1.825 107.014 108.800 0.064 0.000 2.494 349 G HA2 -0.039 nan 3.960 nan 0.000 0.216 349 G HA3 -0.039 nan 3.960 nan 0.000 0.216 349 G C -0.125 174.792 174.900 0.029 0.000 1.140 349 G CA 0.924 46.047 45.100 0.038 0.000 0.801 349 G HN -0.209 8.325 8.290 0.073 -0.200 0.536 350 A N -0.958 121.881 122.820 0.032 0.000 1.895 350 A HA 0.145 nan 4.320 nan 0.000 0.198 350 A C -0.708 176.891 177.584 0.026 0.000 1.709 350 A CA 0.235 52.286 52.037 0.024 0.000 1.194 350 A CB 1.018 20.029 19.000 0.018 0.000 1.260 350 A HN -0.438 7.904 8.150 0.041 -0.168 0.441 351 A N 1.168 124.008 122.820 0.033 0.000 2.476 351 A HA -0.046 nan 4.320 nan 0.000 0.275 351 A C -0.303 177.303 177.584 0.037 0.000 1.133 351 A CA 0.368 52.425 52.037 0.033 0.000 0.797 351 A CB -0.265 18.759 19.000 0.040 0.000 1.081 351 A HN -0.181 7.992 8.150 0.038 0.000 0.510 352 A N 2.923 125.759 122.820 0.027 0.000 2.287 352 A HA 0.225 nan 4.320 nan 0.000 0.273 352 A C -0.899 176.699 177.584 0.023 0.000 1.091 352 A CA -0.124 51.927 52.037 0.024 0.000 0.817 352 A CB 0.976 19.984 19.000 0.014 0.000 1.069 352 A HN 0.207 8.370 8.150 0.021 0.000 0.492 353 S N -1.059 114.654 115.700 0.022 0.000 2.543 353 S HA 0.123 nan 4.470 nan 0.000 0.271 353 S C -1.243 173.366 174.600 0.015 0.000 1.148 353 S CA -0.724 57.486 58.200 0.016 0.000 0.914 353 S CB 2.232 65.448 63.200 0.027 0.000 1.096 353 S HN -0.015 8.309 8.310 0.023 0.000 0.471 354 E N 4.947 125.150 120.200 0.005 0.000 2.351 354 E HA -0.142 nan 4.350 nan 0.000 0.241 354 E C 0.258 176.876 176.600 0.030 0.000 1.243 354 E CA 0.485 56.883 56.400 -0.004 0.000 0.963 354 E CB -0.067 29.619 29.700 -0.024 0.000 1.042 354 E HN 0.359 8.718 8.360 -0.003 0.000 0.468 355 S N 5.855 121.569 115.700 0.022 0.000 2.763 355 S HA -0.002 nan 4.470 nan 0.000 0.237 355 S C 1.345 175.952 174.600 0.013 0.000 0.966 355 S CA 0.580 58.811 58.200 0.052 0.000 1.017 355 S CB 0.026 63.253 63.200 0.044 0.000 0.780 355 S HN 0.283 8.598 8.310 0.010 0.000 0.476 356 L N 3.037 124.196 121.223 -0.107 0.000 2.127 356 L HA -0.253 nan 4.340 nan 0.000 0.211 356 L C 0.034 176.754 176.870 -0.249 0.000 1.089 356 L CA 2.495 57.203 54.840 -0.221 0.000 0.757 356 L CB -0.350 41.445 42.059 -0.440 0.000 0.899 356 L HN -0.215 7.822 8.230 -0.125 0.118 0.434 357 F N -3.090 116.867 119.950 0.012 0.000 2.802 357 F HA -0.131 nan 4.527 nan 0.000 0.300 357 F C 0.900 176.684 175.800 -0.028 0.000 1.168 357 F CA 2.824 60.812 58.000 -0.019 0.000 1.433 357 F CB -0.310 38.674 39.000 -0.028 0.000 1.115 357 F HN -0.392 7.821 8.300 -0.110 0.022 0.582 358 I N -3.598 117.048 120.570 0.128 0.000 4.312 358 I HA 0.018 nan 4.170 nan 0.000 0.324 358 I C -0.249 175.955 176.117 0.145 0.000 1.298 358 I CA 0.214 61.585 61.300 0.117 0.000 1.231 358 I CB 1.268 39.320 38.000 0.087 0.000 1.152 358 I HN -0.114 7.936 8.210 0.090 0.215 0.421 359 S N 1.693 117.453 115.700 0.101 0.000 2.617 359 S HA -0.093 nan 4.470 nan 0.000 0.255 359 S C 0.656 175.318 174.600 0.103 0.000 1.318 359 S CA 0.847 59.088 58.200 0.068 0.000 0.978 359 S CB 1.208 64.450 63.200 0.071 0.000 0.961 359 S HN -0.556 7.690 8.310 0.073 0.108 0.582 360 N N -0.166 118.476 118.700 -0.096 0.000 2.364 360 N HA -0.250 nan 4.740 nan 0.000 0.183 360 N C 1.976 177.445 175.510 -0.068 0.000 1.022 360 N CA 2.537 55.524 53.050 -0.105 0.000 0.883 360 N CB -0.946 37.375 38.487 -0.278 0.000 0.965 360 N HN 0.605 8.873 8.380 -0.187 0.000 0.438 361 H N 0.461 119.592 119.070 0.102 0.000 2.524 361 H HA -0.050 nan 4.556 nan 0.000 0.282 361 H C 0.530 175.880 175.328 0.037 0.000 1.016 361 H CA 1.792 57.867 56.048 0.045 0.000 1.270 361 H CB -0.654 29.091 29.762 -0.028 0.000 1.394 361 H HN -0.569 7.376 8.280 -0.484 0.044 0.568 362 A N -2.304 120.581 122.820 0.109 0.000 2.276 362 A HA -0.068 nan 4.320 nan 0.000 0.212 362 A C -1.380 176.044 177.584 -0.267 0.000 1.230 362 A CA 0.579 52.580 52.037 -0.059 0.000 0.844 362 A CB 0.020 18.955 19.000 -0.109 0.000 0.860 362 A HN -0.455 7.631 8.150 0.146 0.151 0.486 363 Y N 0.000 120.312 120.300 0.019 0.000 2.660 363 Y HA 0.000 nan 4.550 nan 0.000 0.201 363 Y CA 0.000 58.105 58.100 0.008 0.000 1.940 363 Y CB 0.000 38.450 38.460 -0.017 0.000 1.050 363 Y HN 0.000 8.315 8.280 0.234 0.106 0.758