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 1adb_1_B DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.585 174.600 -0.026 0.000 1.055 1 S CA 0.000 58.264 58.200 0.106 0.000 1.107 1 S CB 0.000 63.250 63.200 0.083 0.000 0.593 2 T N 2.237 116.790 114.554 -0.003 0.000 2.902 2 T HA -0.077 nan 4.350 nan 0.000 0.317 2 T C -0.689 173.977 174.700 -0.057 0.000 1.064 2 T CA 1.287 63.374 62.100 -0.021 0.000 1.130 2 T CB -0.127 68.736 68.868 -0.009 0.000 1.073 2 T HN -0.085 8.168 8.240 0.021 0.000 0.524 3 A N 5.246 128.035 122.820 -0.053 0.000 2.415 3 A HA 0.221 nan 4.320 nan 0.000 0.294 3 A C -1.782 175.773 177.584 -0.048 0.000 1.019 3 A CA 0.312 52.311 52.037 -0.063 0.000 0.603 3 A CB 1.646 20.582 19.000 -0.106 0.000 1.382 3 A HN 0.044 8.171 8.150 -0.037 0.000 0.483 4 G N -2.239 106.533 108.800 -0.047 0.000 3.988 4 G HA2 -0.005 nan 3.960 nan 0.000 0.195 4 G HA3 -0.005 nan 3.960 nan 0.000 0.195 4 G C -1.585 173.292 174.900 -0.038 0.000 1.060 4 G CA 0.554 45.631 45.100 -0.038 0.000 0.847 4 G HN 0.251 8.510 8.290 -0.051 0.000 0.515 5 K N -1.007 119.366 120.400 -0.044 0.000 2.372 5 K HA 0.319 nan 4.320 nan 0.000 0.251 5 K C -1.338 175.234 176.600 -0.047 0.000 1.055 5 K CA -1.794 54.470 56.287 -0.038 0.000 0.879 5 K CB 2.103 34.586 32.500 -0.029 0.000 1.384 5 K HN -0.738 7.480 8.250 -0.054 0.000 0.465 6 V N 1.088 120.982 119.914 -0.033 0.000 2.625 6 V HA -0.175 nan 4.120 nan 0.000 0.305 6 V C -0.040 176.027 176.094 -0.046 0.000 1.055 6 V CA 1.283 63.566 62.300 -0.028 0.000 1.209 6 V CB -0.570 31.250 31.823 -0.005 0.000 0.877 6 V HN 0.006 8.182 8.190 -0.024 0.000 0.489 7 I N 8.734 129.262 120.570 -0.070 0.000 2.385 7 I HA 0.192 nan 4.170 nan 0.000 0.294 7 I C -1.133 174.967 176.117 -0.029 0.000 0.988 7 I CA -0.550 60.681 61.300 -0.114 0.000 1.265 7 I CB 2.431 40.243 38.000 -0.313 0.000 1.388 7 I HN 0.681 8.757 8.210 -0.061 0.097 0.480 8 K N 5.795 126.193 120.400 -0.003 0.000 2.235 8 K HA 0.569 nan 4.320 nan 0.000 0.266 8 K C -1.324 175.325 176.600 0.081 0.000 0.980 8 K CA -0.334 55.982 56.287 0.049 0.000 0.849 8 K CB 1.026 33.554 32.500 0.046 0.000 1.098 8 K HN 0.145 8.382 8.250 -0.021 0.000 0.445 9 C N 0.494 119.865 119.300 0.118 0.000 3.292 9 C HA 0.658 nan 4.460 nan 0.000 0.369 9 C C -1.980 173.090 174.990 0.134 0.000 1.664 9 C CA -2.836 56.274 59.018 0.153 0.000 1.204 9 C CB 3.792 31.689 27.740 0.262 0.000 1.978 9 C HN 1.059 9.358 8.230 0.115 0.000 0.435 10 K N 0.148 120.632 120.400 0.140 0.000 2.156 10 K HA 0.648 nan 4.320 nan 0.000 0.271 10 K C -1.644 175.056 176.600 0.166 0.000 0.995 10 K CA -0.586 55.799 56.287 0.163 0.000 0.890 10 K CB 1.793 34.419 32.500 0.209 0.000 1.073 10 K HN 0.468 9.226 8.250 0.143 -0.421 0.454 11 A N 2.198 125.133 122.820 0.191 0.000 2.515 11 A HA 0.880 nan 4.320 nan 0.000 0.296 11 A C -2.286 175.454 177.584 0.260 0.000 1.094 11 A CA -1.743 50.409 52.037 0.192 0.000 0.718 11 A CB 4.245 23.217 19.000 -0.047 0.000 1.307 11 A HN 0.779 9.034 8.150 0.175 0.000 0.408 12 A N 1.063 124.057 122.820 0.291 0.000 2.736 12 A HA 0.595 nan 4.320 nan 0.000 0.335 12 A C -1.426 176.236 177.584 0.130 0.000 1.446 12 A CA -1.313 50.782 52.037 0.096 0.000 1.028 12 A CB -0.113 18.752 19.000 -0.226 0.000 1.154 12 A HN 0.177 8.554 8.150 0.378 0.000 0.507 13 V N 2.837 122.814 119.914 0.106 0.000 2.614 13 V HA 0.246 nan 4.120 nan 0.000 0.291 13 V C -0.990 175.123 176.094 0.031 0.000 1.049 13 V CA 0.457 62.739 62.300 -0.031 0.000 1.038 13 V CB 0.702 32.408 31.823 -0.194 0.000 0.980 13 V HN 0.266 8.534 8.190 0.131 0.000 0.481 14 L N 4.421 125.602 121.223 -0.070 0.000 2.294 14 L HA 0.476 nan 4.340 nan 0.000 0.283 14 L C -0.801 175.952 176.870 -0.195 0.000 1.015 14 L CA -0.876 53.909 54.840 -0.092 0.000 0.831 14 L CB 1.718 43.704 42.059 -0.122 0.000 1.217 14 L HN 0.396 8.552 8.230 -0.123 0.000 0.420 15 W N 4.416 125.690 121.300 -0.042 0.000 2.630 15 W HA -0.078 nan 4.660 nan 0.000 0.271 15 W C -0.367 176.130 176.519 -0.036 0.000 1.244 15 W CA 1.171 58.504 57.345 -0.019 0.000 1.353 15 W CB 0.929 30.381 29.460 -0.014 0.000 1.080 15 W HN 0.527 8.854 8.180 0.245 0.000 0.594 16 E N -4.073 116.203 120.200 0.127 0.000 2.429 16 E HA 0.193 nan 4.350 nan 0.000 0.276 16 E C -1.694 174.882 176.600 -0.041 0.000 0.953 16 E CA -1.588 54.839 56.400 0.045 0.000 0.787 16 E CB 3.778 33.505 29.700 0.046 0.000 1.307 16 E HN -0.796 7.620 8.360 0.093 0.000 0.458 17 E N 0.747 120.921 120.200 -0.043 0.000 2.392 17 E HA -0.099 nan 4.350 nan 0.000 0.259 17 E C -0.125 176.424 176.600 -0.085 0.000 1.108 17 E CA 0.642 57.000 56.400 -0.071 0.000 0.916 17 E CB 0.144 29.821 29.700 -0.037 0.000 0.989 17 E HN 0.313 8.662 8.360 -0.018 0.000 0.432 18 K N -3.571 116.765 120.400 -0.106 0.000 3.130 18 K HA -0.400 nan 4.320 nan 0.000 0.282 18 K C -0.628 175.897 176.600 -0.125 0.000 1.145 18 K CA 1.357 57.584 56.287 -0.100 0.000 0.831 18 K CB -2.432 30.035 32.500 -0.056 0.000 1.226 18 K HN 0.439 8.495 8.250 -0.113 0.126 0.478 19 K N -1.550 118.744 120.400 -0.178 0.000 2.281 19 K HA 0.438 nan 4.320 nan 0.000 0.242 19 K C -2.316 174.111 176.600 -0.288 0.000 0.971 19 K CA -2.874 53.311 56.287 -0.171 0.000 0.834 19 K CB 0.766 33.203 32.500 -0.105 0.000 1.181 19 K HN -0.828 7.252 8.250 -0.216 0.040 0.435 20 P HA 0.055 nan 4.420 nan 0.000 0.272 20 P C -1.030 176.107 177.300 -0.272 0.000 1.240 20 P CA -0.277 62.677 63.100 -0.243 0.000 0.791 20 P CB 0.387 32.024 31.700 -0.106 0.000 0.978 21 F N -0.365 119.471 119.950 -0.190 0.000 2.399 21 F HA 0.014 nan 4.527 nan 0.000 0.342 21 F C 0.187 175.935 175.800 -0.086 0.000 1.106 21 F CA 0.616 58.515 58.000 -0.168 0.000 1.196 21 F CB 1.306 40.122 39.000 -0.306 0.000 1.163 21 F HN -0.369 8.173 8.300 -0.054 -0.275 0.547 22 S N 4.037 119.861 115.700 0.207 0.000 2.448 22 S HA 0.315 nan 4.470 nan 0.000 0.320 22 S C -1.193 173.498 174.600 0.151 0.000 1.071 22 S CA -1.060 57.244 58.200 0.174 0.000 1.113 22 S CB 0.551 63.924 63.200 0.288 0.000 0.972 22 S HN 0.754 9.219 8.310 0.258 0.000 0.465 23 I N 1.350 121.960 120.570 0.066 0.000 2.436 23 I HA 0.184 nan 4.170 nan 0.000 0.289 23 I C -0.900 175.287 176.117 0.117 0.000 1.083 23 I CA -0.125 61.218 61.300 0.071 0.000 1.372 23 I CB -0.242 37.749 38.000 -0.014 0.000 1.408 23 I HN 0.398 8.625 8.210 0.028 0.000 0.516 24 E N 7.066 127.358 120.200 0.153 0.000 2.404 24 E HA 0.352 nan 4.350 nan 0.000 0.264 24 E C -2.069 174.613 176.600 0.136 0.000 0.946 24 E CA -2.320 54.171 56.400 0.152 0.000 0.806 24 E CB 4.131 33.958 29.700 0.211 0.000 1.334 24 E HN 0.647 9.103 8.360 0.161 0.000 0.429 25 E N 1.157 121.431 120.200 0.123 0.000 2.130 25 E HA 0.415 nan 4.350 nan 0.000 0.284 25 E C -1.167 175.501 176.600 0.112 0.000 1.018 25 E CA -0.358 56.108 56.400 0.110 0.000 0.817 25 E CB 0.713 30.469 29.700 0.093 0.000 1.078 25 E HN 0.263 8.697 8.360 0.122 0.000 0.396 26 V N 6.365 126.340 119.914 0.102 0.000 2.732 26 V HA 0.442 nan 4.120 nan 0.000 0.310 26 V C -1.047 175.121 176.094 0.124 0.000 1.053 26 V CA -1.742 60.621 62.300 0.104 0.000 0.957 26 V CB 2.960 34.806 31.823 0.038 0.000 1.018 26 V HN 0.956 9.104 8.190 0.100 0.102 0.452 27 E N 3.232 123.517 120.200 0.142 0.000 2.055 27 E HA 0.433 nan 4.350 nan 0.000 0.274 27 E C -0.955 175.750 176.600 0.174 0.000 0.949 27 E CA -1.129 55.344 56.400 0.122 0.000 0.775 27 E CB 0.971 30.726 29.700 0.092 0.000 1.097 27 E HN -0.055 8.396 8.360 0.151 0.000 0.404 28 V N 5.899 125.913 119.914 0.166 0.000 2.334 28 V HA 0.271 nan 4.120 nan 0.000 0.267 28 V C -0.868 175.253 176.094 0.043 0.000 1.040 28 V CA -1.327 61.084 62.300 0.185 0.000 0.866 28 V CB -0.278 31.693 31.823 0.247 0.000 1.019 28 V HN 0.942 9.107 8.190 0.121 0.098 0.468 29 A N 9.106 131.927 122.820 0.002 0.000 2.445 29 A HA 0.257 nan 4.320 nan 0.000 0.242 29 A C -2.182 175.379 177.584 -0.040 0.000 1.075 29 A CA -1.717 50.305 52.037 -0.026 0.000 0.777 29 A CB -0.771 18.208 19.000 -0.036 0.000 1.013 29 A HN -0.202 7.941 8.150 -0.011 0.000 0.493 30 P HA 0.055 nan 4.420 nan 0.000 0.269 30 P C -2.578 174.698 177.300 -0.041 0.000 1.215 30 P CA -0.951 62.124 63.100 -0.042 0.000 0.780 30 P CB -0.030 31.646 31.700 -0.040 0.000 0.898 31 P HA 0.014 nan 4.420 nan 0.000 0.268 31 P C -1.259 176.016 177.300 -0.041 0.000 1.204 31 P CA -0.149 62.930 63.100 -0.035 0.000 0.768 31 P CB 0.618 32.303 31.700 -0.026 0.000 0.842 32 K N 4.298 124.673 120.400 -0.043 0.000 2.760 32 K HA 0.120 nan 4.320 nan 0.000 0.285 32 K C -0.432 176.137 176.600 -0.053 0.000 1.016 32 K CA -1.575 54.685 56.287 -0.044 0.000 1.087 32 K CB 1.593 34.071 32.500 -0.038 0.000 1.427 32 K HN 0.299 8.883 8.250 -0.043 -0.360 0.524 33 A N -1.404 121.382 122.820 -0.058 0.000 2.545 33 A HA -0.177 nan 4.320 nan 0.000 0.253 33 A C -0.284 177.268 177.584 -0.053 0.000 1.074 33 A CA 0.969 52.933 52.037 -0.121 0.000 0.760 33 A CB -0.929 18.024 19.000 -0.077 0.000 1.005 33 A HN 0.305 8.430 8.150 -0.042 0.000 0.506 34 H N -0.366 118.686 119.070 -0.030 0.000 2.941 34 H HA -0.425 nan 4.556 nan 0.000 0.279 34 H C -1.227 174.080 175.328 -0.035 0.000 1.247 34 H CA 1.702 57.731 56.048 -0.032 0.000 1.129 34 H CB -2.156 27.585 29.762 -0.034 0.000 1.313 34 H HN 0.481 8.467 8.280 -0.318 0.103 0.384 35 E N -4.027 116.190 120.200 0.028 0.000 2.336 35 E HA 0.909 nan 4.350 nan 0.000 0.267 35 E C -2.542 174.058 176.600 -0.000 0.000 0.906 35 E CA -1.611 54.795 56.400 0.009 0.000 0.781 35 E CB 4.702 34.394 29.700 -0.015 0.000 1.261 35 E HN -0.648 7.704 8.360 -0.014 0.000 0.436 36 V N -2.674 117.244 119.914 0.006 0.000 2.789 36 V HA 0.679 nan 4.120 nan 0.000 0.311 36 V C -2.552 173.557 176.094 0.025 0.000 1.073 36 V CA -3.010 59.296 62.300 0.011 0.000 0.921 36 V CB 3.654 35.486 31.823 0.014 0.000 1.009 36 V HN 0.827 8.916 8.190 0.008 0.106 0.426 37 R N 5.422 125.941 120.500 0.033 0.000 2.294 37 R HA 0.747 nan 4.340 nan 0.000 0.319 37 R C -1.073 175.282 176.300 0.091 0.000 0.984 37 R CA -1.070 55.070 56.100 0.066 0.000 0.861 37 R CB 1.578 31.905 30.300 0.044 0.000 1.104 37 R HN -0.309 7.974 8.270 0.023 0.000 0.451 38 I N 5.945 126.582 120.570 0.111 0.000 2.474 38 I HA 0.463 nan 4.170 nan 0.000 0.294 38 I C -1.951 174.188 176.117 0.037 0.000 1.005 38 I CA -1.368 59.969 61.300 0.063 0.000 1.113 38 I CB 3.021 41.026 38.000 0.009 0.000 1.289 38 I HN 1.142 9.320 8.210 0.129 0.110 0.436 39 K N 6.538 126.908 120.400 -0.049 0.000 2.263 39 K HA 0.250 nan 4.320 nan 0.000 0.282 39 K C -0.611 175.737 176.600 -0.420 0.000 1.089 39 K CA -1.200 54.855 56.287 -0.386 0.000 0.907 39 K CB 1.280 33.633 32.500 -0.246 0.000 1.148 39 K HN 0.620 8.868 8.250 -0.004 0.000 0.470 40 M N 6.220 125.448 119.600 -0.619 0.000 2.245 40 M HA -0.155 nan 4.480 nan 0.000 0.312 40 M C -0.807 175.097 176.300 -0.661 0.000 1.070 40 M CA 1.821 56.687 55.300 -0.722 0.000 1.162 40 M CB 0.368 32.214 32.600 -1.257 0.000 1.448 40 M HN 0.411 8.158 8.290 -0.730 0.105 0.446 41 V N 0.370 120.039 119.914 -0.407 0.000 3.193 41 V HA 0.282 nan 4.120 nan 0.000 0.237 41 V C -1.498 174.687 176.094 0.152 0.000 1.447 41 V CA 0.602 62.835 62.300 -0.111 0.000 1.227 41 V CB 2.998 34.782 31.823 -0.067 0.000 1.040 41 V HN -0.078 7.906 8.190 -0.342 0.000 0.458 42 A N -3.027 119.883 122.820 0.149 0.000 2.604 42 A HA 0.584 nan 4.320 nan 0.000 0.295 42 A C -2.938 174.796 177.584 0.251 0.000 1.067 42 A CA -0.071 52.122 52.037 0.260 0.000 0.683 42 A CB 3.065 22.143 19.000 0.130 0.000 1.281 42 A HN -0.608 7.554 8.150 0.020 0.000 0.407 43 T N 1.042 115.773 114.554 0.296 0.000 3.032 43 T HA 0.659 nan 4.350 nan 0.000 0.312 43 T C -0.902 173.901 174.700 0.172 0.000 1.078 43 T CA -0.410 61.848 62.100 0.263 0.000 1.028 43 T CB 3.240 72.382 68.868 0.456 0.000 1.091 43 T HN 0.345 8.753 8.240 0.280 0.000 0.457 44 G N 2.856 111.716 108.800 0.100 0.000 2.420 44 G HA2 0.784 nan 3.960 nan 0.000 0.284 44 G HA3 0.784 nan 3.960 nan 0.000 0.284 44 G C -1.455 173.454 174.900 0.015 0.000 1.177 44 G CA -1.691 43.430 45.100 0.035 0.000 0.841 44 G HN 0.359 8.701 8.290 0.087 0.000 0.527 45 I N 2.773 123.293 120.570 -0.084 0.000 2.304 45 I HA 0.054 nan 4.170 nan 0.000 0.291 45 I C -1.216 174.787 176.117 -0.189 0.000 1.018 45 I CA -0.341 60.842 61.300 -0.196 0.000 1.260 45 I CB 0.633 38.265 38.000 -0.613 0.000 1.390 45 I HN -0.421 7.721 8.210 -0.113 0.000 0.475 46 C N 8.637 127.870 119.300 -0.111 0.000 2.399 46 C HA 0.306 nan 4.460 nan 0.000 0.348 46 C C 0.983 175.973 174.990 0.001 0.000 1.183 46 C CA -2.208 56.788 59.018 -0.036 0.000 2.023 46 C CB 2.676 30.422 27.740 0.010 0.000 2.361 46 C HN 0.012 8.399 8.230 -0.070 -0.199 0.521 47 R N 3.626 124.120 120.500 -0.010 0.000 2.152 47 R HA -0.257 nan 4.340 nan 0.000 0.232 47 R C 1.531 177.692 176.300 -0.230 0.000 1.117 47 R CA 2.757 58.779 56.100 -0.131 0.000 0.981 47 R CB -0.214 30.013 30.300 -0.122 0.000 0.870 47 R HN 0.707 8.985 8.270 0.014 0.000 0.451 48 S N -1.000 114.766 115.700 0.110 0.000 2.382 48 S HA -0.266 nan 4.470 nan 0.000 0.228 48 S C 1.695 176.459 174.600 0.273 0.000 1.027 48 S CA 3.655 62.041 58.200 0.309 0.000 0.991 48 S CB -0.492 62.906 63.200 0.330 0.000 0.823 48 S HN -0.381 8.017 8.310 0.190 0.027 0.469 49 D N 1.483 122.050 120.400 0.280 0.000 2.117 49 D HA -0.190 nan 4.640 nan 0.000 0.198 49 D C 1.707 178.198 176.300 0.318 0.000 0.982 49 D CA 3.388 57.532 54.000 0.240 0.000 0.828 49 D CB -0.279 40.786 40.800 0.442 0.000 0.967 49 D HN -0.606 7.927 8.370 0.295 0.015 0.464 50 D N -0.590 120.001 120.400 0.318 0.000 2.144 50 D HA -0.267 nan 4.640 nan 0.000 0.199 50 D C 2.014 178.357 176.300 0.072 0.000 0.984 50 D CA 3.054 57.193 54.000 0.231 0.000 0.834 50 D CB 0.268 41.139 40.800 0.118 0.000 0.955 50 D HN -0.735 7.707 8.370 0.243 0.074 0.465 51 H N -2.078 117.079 119.070 0.146 0.000 2.456 51 H HA -0.139 nan 4.556 nan 0.000 0.296 51 H C 2.800 178.166 175.328 0.062 0.000 1.079 51 H CA 2.902 59.008 56.048 0.095 0.000 1.322 51 H CB -0.304 29.519 29.762 0.101 0.000 1.388 51 H HN 0.084 8.186 8.280 -0.119 0.107 0.538 52 V N -0.042 119.962 119.914 0.151 0.000 2.261 52 V HA -0.321 nan 4.120 nan 0.000 0.246 52 V C 2.484 178.576 176.094 -0.003 0.000 1.047 52 V CA 3.930 66.260 62.300 0.049 0.000 1.015 52 V CB -0.742 31.029 31.823 -0.087 0.000 0.642 52 V HN -0.507 7.642 8.190 0.148 0.131 0.446 53 V N -0.162 119.725 119.914 -0.045 0.000 2.261 53 V HA -0.413 nan 4.120 nan 0.000 0.246 53 V C 1.974 178.027 176.094 -0.069 0.000 1.047 53 V CA 4.058 66.273 62.300 -0.143 0.000 1.015 53 V CB -1.058 30.606 31.823 -0.265 0.000 0.642 53 V HN -0.554 7.634 8.190 -0.002 0.000 0.446 54 S N -0.555 115.144 115.700 -0.002 0.000 2.603 54 S HA -0.136 nan 4.470 nan 0.000 0.229 54 S C 0.945 175.566 174.600 0.034 0.000 0.972 54 S CA 1.720 59.933 58.200 0.022 0.000 0.935 54 S CB -0.137 63.101 63.200 0.064 0.000 0.769 54 S HN -0.119 8.208 8.310 0.028 0.000 0.536 55 G N -0.180 108.641 108.800 0.035 0.000 2.162 55 G HA2 -0.363 nan 3.960 nan 0.000 0.260 55 G HA3 -0.363 nan 3.960 nan 0.000 0.260 55 G C 0.309 175.236 174.900 0.046 0.000 0.976 55 G CA 0.779 45.898 45.100 0.033 0.000 0.655 55 G HN -0.359 7.761 8.290 0.032 0.189 0.533 56 T N -4.047 110.552 114.554 0.075 0.000 2.857 56 T HA -0.206 nan 4.350 nan 0.000 0.266 56 T C 0.112 174.821 174.700 0.014 0.000 1.048 56 T CA 1.719 63.841 62.100 0.036 0.000 1.139 56 T CB 0.426 69.311 68.868 0.029 0.000 0.874 56 T HN -0.427 7.831 8.240 0.114 0.050 0.455 57 L N 1.691 122.960 121.223 0.077 0.000 2.283 57 L HA 0.372 nan 4.340 nan 0.000 0.281 57 L C -1.865 175.060 176.870 0.092 0.000 1.033 57 L CA -1.130 53.764 54.840 0.090 0.000 0.848 57 L CB 1.421 43.589 42.059 0.182 0.000 1.226 57 L HN -0.537 7.656 8.230 0.128 0.114 0.429 58 V N 6.916 126.867 119.914 0.062 0.000 2.455 58 V HA 0.082 nan 4.120 nan 0.000 0.273 58 V C -0.547 175.587 176.094 0.067 0.000 1.045 58 V CA 0.556 62.886 62.300 0.050 0.000 0.976 58 V CB -0.291 31.549 31.823 0.028 0.000 0.993 58 V HN 0.181 8.398 8.190 0.045 0.000 0.475 59 T N 7.020 121.611 114.554 0.062 0.000 2.894 59 T HA 0.491 nan 4.350 nan 0.000 0.309 59 T C -2.842 171.844 174.700 -0.024 0.000 1.208 59 T CA -2.546 59.596 62.100 0.069 0.000 1.016 59 T CB 1.382 70.368 68.868 0.195 0.000 1.192 59 T HN 0.117 8.382 8.240 0.043 0.000 0.491 60 P HA 0.267 nan 4.420 nan 0.000 0.269 60 P C -1.950 175.126 177.300 -0.373 0.000 1.209 60 P CA -0.309 62.583 63.100 -0.347 0.000 0.776 60 P CB 0.558 31.834 31.700 -0.708 0.000 0.876 61 L N 2.470 123.542 121.223 -0.252 0.000 2.333 61 L HA 0.488 nan 4.340 nan 0.000 0.269 61 L C -1.952 174.903 176.870 -0.024 0.000 1.010 61 L CA -2.841 51.929 54.840 -0.116 0.000 0.818 61 L CB 0.581 42.613 42.059 -0.045 0.000 1.306 61 L HN 0.100 8.210 8.230 -0.200 0.000 0.430 62 P HA 0.355 nan 4.420 nan 0.000 0.274 62 P C -2.416 174.835 177.300 -0.082 0.000 1.246 62 P CA -0.626 62.359 63.100 -0.191 0.000 0.795 62 P CB 0.791 32.141 31.700 -0.583 0.000 1.006 63 V N -1.063 118.764 119.914 -0.145 0.000 3.242 63 V HA 0.633 nan 4.120 nan 0.000 0.298 63 V C -2.169 173.899 176.094 -0.044 0.000 1.352 63 V CA -1.308 60.985 62.300 -0.013 0.000 1.052 63 V CB 4.493 36.343 31.823 0.044 0.000 1.101 63 V HN -0.092 7.949 8.190 -0.249 0.000 0.446 64 I N 3.634 124.206 120.570 0.003 0.000 2.502 64 I HA 0.476 nan 4.170 nan 0.000 0.276 64 I C -1.399 174.737 176.117 0.031 0.000 1.057 64 I CA -1.461 59.830 61.300 -0.014 0.000 1.163 64 I CB 1.192 39.057 38.000 -0.226 0.000 1.288 64 I HN -0.248 8.005 8.210 0.072 0.000 0.479 65 A N 6.245 129.050 122.820 -0.026 0.000 2.261 65 A HA 0.372 nan 4.320 nan 0.000 0.275 65 A C -0.741 176.397 177.584 -0.743 0.000 1.246 65 A CA 0.113 51.899 52.037 -0.420 0.000 0.810 65 A CB 0.697 19.420 19.000 -0.461 0.000 1.168 65 A HN 0.569 8.794 8.150 0.124 0.000 0.506 66 G N -4.227 103.983 108.800 -0.983 0.000 3.069 66 G HA2 -0.160 nan 3.960 nan 0.000 0.686 66 G HA3 -0.160 nan 3.960 nan 0.000 0.686 66 G C -1.260 173.612 174.900 -0.047 0.000 1.161 66 G CA -0.212 44.235 45.100 -1.088 0.000 0.804 66 G HN -0.296 7.687 8.290 -0.790 -0.167 0.608 67 H N -1.788 117.264 119.070 -0.030 0.000 3.770 67 H HA 0.157 nan 4.556 nan 0.000 0.264 67 H C -1.932 173.451 175.328 0.092 0.000 1.164 67 H CA -0.416 55.663 56.048 0.052 0.000 1.158 67 H CB 1.506 31.221 29.762 -0.078 0.000 1.653 67 H HN 0.172 8.181 8.280 -0.453 0.000 0.795 68 E N 1.590 121.703 120.200 -0.145 0.000 2.331 68 E HA 0.166 nan 4.350 nan 0.000 0.243 68 E C -2.701 173.932 176.600 0.055 0.000 0.925 68 E CA -1.319 55.084 56.400 0.004 0.000 0.760 68 E CB 0.913 30.546 29.700 -0.112 0.000 1.254 68 E HN -0.499 7.701 8.360 -0.266 0.000 0.419 69 A N 2.924 125.796 122.820 0.088 0.000 2.529 69 A HA 0.869 nan 4.320 nan 0.000 0.296 69 A C -2.258 175.354 177.584 0.047 0.000 1.205 69 A CA -0.431 51.648 52.037 0.070 0.000 0.671 69 A CB 3.410 22.445 19.000 0.058 0.000 1.301 69 A HN -0.080 8.140 8.150 0.117 0.000 0.450 70 A N -2.378 120.450 122.820 0.015 0.000 2.517 70 A HA 0.709 nan 4.320 nan 0.000 0.297 70 A C -2.303 175.252 177.584 -0.049 0.000 1.050 70 A CA -0.506 51.527 52.037 -0.007 0.000 0.694 70 A CB 2.579 21.576 19.000 -0.005 0.000 1.277 70 A HN 0.026 8.182 8.150 0.011 0.000 0.400 71 G N 0.383 109.149 108.800 -0.058 0.000 2.976 71 G HA2 0.942 nan 3.960 nan 0.000 0.276 71 G HA3 0.942 nan 3.960 nan 0.000 0.276 71 G C -2.851 172.011 174.900 -0.063 0.000 1.207 71 G CA -0.991 44.049 45.100 -0.099 0.000 0.803 71 G HN 0.441 8.710 8.290 -0.034 0.000 0.572 72 I N -1.307 119.222 120.570 -0.067 0.000 2.656 72 I HA 0.382 nan 4.170 nan 0.000 0.292 72 I C -1.357 174.755 176.117 -0.009 0.000 1.144 72 I CA -1.068 60.213 61.300 -0.032 0.000 1.038 72 I CB 4.799 42.780 38.000 -0.031 0.000 1.244 72 I HN 0.005 8.052 8.210 -0.100 0.103 0.420 73 V N 7.692 127.608 119.914 0.005 0.000 2.425 73 V HA -0.136 nan 4.120 nan 0.000 0.276 73 V C 0.219 176.333 176.094 0.034 0.000 1.017 73 V CA 1.283 63.594 62.300 0.019 0.000 1.062 73 V CB -1.904 29.927 31.823 0.013 0.000 0.997 73 V HN 0.971 9.052 8.190 0.001 0.110 0.476 74 E N 8.353 128.590 120.200 0.062 0.000 2.122 74 E HA -0.082 nan 4.350 nan 0.000 0.190 74 E C -0.354 176.267 176.600 0.036 0.000 0.977 74 E CA 1.886 58.333 56.400 0.079 0.000 0.820 74 E CB 1.496 31.299 29.700 0.172 0.000 0.770 74 E HN 0.121 8.524 8.360 0.071 0.000 0.462 75 S N -3.416 112.299 115.700 0.025 0.000 2.688 75 S HA 0.208 nan 4.470 nan 0.000 0.275 75 S C -1.780 172.821 174.600 0.001 0.000 1.175 75 S CA -1.168 57.034 58.200 0.003 0.000 0.818 75 S CB 2.394 65.587 63.200 -0.012 0.000 1.157 75 S HN -0.639 7.691 8.310 0.034 0.000 0.482 76 I N -0.033 120.531 120.570 -0.011 0.000 2.769 76 I HA 0.397 nan 4.170 nan 0.000 0.298 76 I C -0.728 175.370 176.117 -0.031 0.000 1.128 76 I CA -1.303 59.988 61.300 -0.016 0.000 1.031 76 I CB 4.247 42.238 38.000 -0.015 0.000 1.235 76 I HN -0.015 8.186 8.210 -0.016 0.000 0.423 77 G N 3.990 112.766 108.800 -0.041 0.000 2.488 77 G HA2 0.324 nan 3.960 nan 0.000 0.318 77 G HA3 0.324 nan 3.960 nan 0.000 0.318 77 G C -1.411 173.425 174.900 -0.106 0.000 1.188 77 G CA -1.575 43.487 45.100 -0.064 0.000 0.944 77 G HN 0.191 8.461 8.290 -0.032 0.000 0.495 78 E N 1.400 121.526 120.200 -0.123 0.000 2.606 78 E HA -0.356 nan 4.350 nan 0.000 0.248 78 E C 0.830 177.241 176.600 -0.315 0.000 1.005 78 E CA 2.495 58.798 56.400 -0.163 0.000 0.946 78 E CB -0.511 29.109 29.700 -0.133 0.000 0.928 78 E HN 0.416 8.717 8.360 -0.099 0.000 0.494 79 G N 1.787 110.418 108.800 -0.282 0.000 2.232 79 G HA2 -0.429 nan 3.960 nan 0.000 0.226 79 G HA3 -0.429 nan 3.960 nan 0.000 0.226 79 G C -0.617 174.150 174.900 -0.220 0.000 0.996 79 G CA -0.161 44.693 45.100 -0.410 0.000 0.626 79 G HN 0.171 8.356 8.290 -0.174 0.000 0.509 80 V N 1.938 121.767 119.914 -0.141 0.000 2.788 80 V HA -0.237 nan 4.120 nan 0.000 0.307 80 V C -0.693 175.402 176.094 0.002 0.000 1.069 80 V CA 2.264 64.555 62.300 -0.014 0.000 1.173 80 V CB -0.591 31.223 31.823 -0.015 0.000 0.925 80 V HN -0.168 7.861 8.190 -0.167 0.061 0.492 81 T N 6.018 120.591 114.554 0.031 0.000 3.028 81 T HA 0.158 nan 4.350 nan 0.000 0.262 81 T C 0.883 175.594 174.700 0.018 0.000 0.916 81 T CA 1.586 63.699 62.100 0.022 0.000 0.873 81 T CB 0.379 69.267 68.868 0.034 0.000 1.232 81 T HN 0.421 9.018 8.240 0.051 -0.326 0.529 82 T N 1.480 116.046 114.554 0.021 0.000 3.054 82 T HA 0.082 nan 4.350 nan 0.000 0.259 82 T C -0.816 173.889 174.700 0.010 0.000 1.092 82 T CA 1.455 63.563 62.100 0.014 0.000 1.121 82 T CB 0.526 69.402 68.868 0.013 0.000 0.912 82 T HN -0.056 8.448 8.240 0.030 -0.246 0.489 83 V N -5.987 113.933 119.914 0.009 0.000 3.141 83 V HA 0.702 nan 4.120 nan 0.000 0.312 83 V C -1.542 174.554 176.094 0.004 0.000 1.157 83 V CA -2.832 59.472 62.300 0.006 0.000 1.041 83 V CB 3.277 35.105 31.823 0.007 0.000 1.071 83 V HN -0.786 7.410 8.190 0.011 0.000 0.441 84 R N -0.681 119.821 120.500 0.003 0.000 2.774 84 R HA 0.596 nan 4.340 nan 0.000 0.272 84 R C -3.056 173.246 176.300 0.003 0.000 1.000 84 R CA -3.376 52.725 56.100 0.001 0.000 0.906 84 R CB 3.401 33.701 30.300 0.001 0.000 1.227 84 R HN 0.376 8.876 8.270 0.004 -0.227 0.468 85 P HA -0.275 nan 4.420 nan 0.000 0.265 85 P C -0.215 177.090 177.300 0.007 0.000 1.193 85 P CA 1.372 64.476 63.100 0.007 0.000 0.765 85 P CB -0.085 31.618 31.700 0.005 0.000 0.823 86 G N 5.041 113.848 108.800 0.010 0.000 2.213 86 G HA2 -0.441 nan 3.960 nan 0.000 0.236 86 G HA3 -0.441 nan 3.960 nan 0.000 0.236 86 G C -0.543 174.360 174.900 0.005 0.000 0.991 86 G CA -0.342 44.762 45.100 0.008 0.000 0.629 86 G HN 0.768 8.944 8.290 0.013 0.122 0.517 87 D N 2.843 123.246 120.400 0.005 0.000 2.350 87 D HA 0.071 nan 4.640 nan 0.000 0.249 87 D C -0.789 175.511 176.300 0.001 0.000 1.119 87 D CA 0.440 54.442 54.000 0.003 0.000 0.886 87 D CB 0.892 41.694 40.800 0.004 0.000 1.195 87 D HN -0.432 7.856 8.370 0.006 0.085 0.437 88 K N 1.626 122.026 120.400 0.000 0.000 2.298 88 K HA 0.443 nan 4.320 nan 0.000 0.280 88 K C -1.744 174.856 176.600 -0.001 0.000 1.032 88 K CA 0.761 57.046 56.287 -0.003 0.000 0.958 88 K CB 1.096 33.595 32.500 -0.001 0.000 0.978 88 K HN 0.387 8.638 8.250 0.002 0.000 0.472 89 V N 2.825 122.737 119.914 -0.004 0.000 3.206 89 V HA 0.771 nan 4.120 nan 0.000 0.305 89 V C -2.026 174.071 176.094 0.004 0.000 1.257 89 V CA -2.317 59.984 62.300 0.001 0.000 1.057 89 V CB 4.669 36.493 31.823 0.001 0.000 1.075 89 V HN -0.007 8.176 8.190 -0.012 0.000 0.443 90 I N 1.596 122.174 120.570 0.014 0.000 2.468 90 I HA 0.523 nan 4.170 nan 0.000 0.285 90 I C -2.735 173.399 176.117 0.028 0.000 1.039 90 I CA -3.171 58.146 61.300 0.029 0.000 1.074 90 I CB 3.224 41.253 38.000 0.049 0.000 1.228 90 I HN 0.283 8.501 8.210 0.013 0.000 0.436 91 P HA 0.135 nan 4.420 nan 0.000 0.270 91 P C -1.512 175.806 177.300 0.031 0.000 1.223 91 P CA -0.326 62.798 63.100 0.041 0.000 0.785 91 P CB 0.358 32.101 31.700 0.071 0.000 0.923 92 L N 0.834 122.047 121.223 -0.017 0.000 2.372 92 L HA 0.214 nan 4.340 nan 0.000 0.273 92 L C -0.745 176.056 176.870 -0.115 0.000 0.989 92 L CA -0.840 53.915 54.840 -0.141 0.000 0.841 92 L CB 1.472 43.398 42.059 -0.220 0.000 1.225 92 L HN -0.270 7.954 8.230 -0.010 0.000 0.414 93 F N -1.273 118.576 119.950 -0.168 0.000 2.365 93 F HA -0.086 nan 4.527 nan 0.000 0.300 93 F C -0.597 175.098 175.800 -0.175 0.000 1.090 93 F CA 0.999 58.901 58.000 -0.164 0.000 1.408 93 F CB 0.207 39.104 39.000 -0.172 0.000 1.060 93 F HN -0.114 8.231 8.300 0.075 0.000 0.534 94 T N 1.085 115.179 114.554 -0.766 0.000 2.788 94 T HA 0.372 nan 4.350 nan 0.000 0.296 94 T C -1.862 172.618 174.700 -0.366 0.000 1.009 94 T CA -2.469 59.320 62.100 -0.518 0.000 0.949 94 T CB 0.772 69.274 68.868 -0.611 0.000 0.946 94 T HN -0.366 7.188 8.240 -1.100 0.026 0.453 95 P HA 0.196 nan 4.420 nan 0.000 0.275 95 P C -2.120 175.100 177.300 -0.133 0.000 1.266 95 P CA -0.669 62.333 63.100 -0.163 0.000 0.793 95 P CB 1.593 33.213 31.700 -0.133 0.000 1.074 96 Q N -1.355 118.385 119.800 -0.099 0.000 3.412 96 Q HA 0.130 nan 4.340 nan 0.000 0.219 96 Q C 0.559 176.522 176.000 -0.062 0.000 0.913 96 Q CA -0.742 55.020 55.803 -0.068 0.000 0.722 96 Q CB 0.900 29.612 28.738 -0.042 0.000 1.385 96 Q HN -0.429 7.783 8.270 -0.095 0.000 0.461 97 C N 0.548 119.805 119.300 -0.072 0.000 2.419 97 C HA 0.136 nan 4.460 nan 0.000 0.283 97 C C 1.203 176.159 174.990 -0.056 0.000 1.373 97 C CA 0.733 59.707 59.018 -0.072 0.000 1.781 97 C CB -0.495 27.195 27.740 -0.083 0.000 1.886 97 C HN 0.459 8.638 8.230 -0.085 0.000 0.520 98 G N 2.905 111.680 108.800 -0.042 0.000 2.184 98 G HA2 -0.357 nan 3.960 nan 0.000 0.264 98 G HA3 -0.357 nan 3.960 nan 0.000 0.264 98 G C -0.682 174.202 174.900 -0.027 0.000 0.975 98 G CA 1.120 46.203 45.100 -0.027 0.000 0.642 98 G HN 0.122 8.334 8.290 -0.041 0.054 0.536 99 K N -2.397 117.980 120.400 -0.037 0.000 2.367 99 K HA 0.179 nan 4.320 nan 0.000 0.198 99 K C 1.038 177.620 176.600 -0.030 0.000 1.132 99 K CA 0.099 56.365 56.287 -0.034 0.000 0.941 99 K CB 1.654 34.127 32.500 -0.045 0.000 1.052 99 K HN -0.497 7.641 8.250 -0.047 0.084 0.507 100 C N 0.602 119.879 119.300 -0.038 0.000 2.758 100 C HA 0.056 nan 4.460 nan 0.000 0.371 100 C C 1.567 176.548 174.990 -0.016 0.000 1.342 100 C CA -1.267 57.729 59.018 -0.037 0.000 2.257 100 C CB 0.830 28.533 27.740 -0.060 0.000 2.621 100 C HN -0.338 7.863 8.230 -0.048 0.000 0.730 101 R N -0.338 120.155 120.500 -0.011 0.000 2.094 101 R HA -0.375 nan 4.340 nan 0.000 0.239 101 R C 2.071 178.400 176.300 0.048 0.000 1.137 101 R CA 3.760 59.871 56.100 0.017 0.000 0.943 101 R CB -0.341 29.965 30.300 0.011 0.000 0.850 101 R HN 0.556 8.813 8.270 -0.023 0.000 0.433 102 V N -1.371 118.556 119.914 0.020 0.000 2.295 102 V HA -0.196 nan 4.120 nan 0.000 0.246 102 V C 2.019 178.157 176.094 0.072 0.000 1.049 102 V CA 3.135 65.460 62.300 0.041 0.000 1.024 102 V CB -0.782 31.037 31.823 -0.007 0.000 0.648 102 V HN -0.284 7.898 8.190 -0.013 0.000 0.447 103 C N -1.219 118.098 119.300 0.029 0.000 2.411 103 C HA -0.352 nan 4.460 nan 0.000 0.279 103 C C 2.306 177.324 174.990 0.046 0.000 1.288 103 C CA 3.378 62.413 59.018 0.030 0.000 1.764 103 C CB -2.042 25.696 27.740 -0.003 0.000 1.974 103 C HN -0.490 7.741 8.230 0.001 0.000 0.498 104 K N -2.031 118.397 120.400 0.046 0.000 2.062 104 K HA -0.144 nan 4.320 nan 0.000 0.205 104 K C 0.682 177.311 176.600 0.047 0.000 1.051 104 K CA 1.060 57.368 56.287 0.035 0.000 0.941 104 K CB -0.412 32.103 32.500 0.025 0.000 0.719 104 K HN -0.558 7.613 8.250 0.042 0.105 0.440 105 H N 3.206 122.281 119.070 0.008 0.000 3.125 105 H HA -0.048 nan 4.556 nan 0.000 0.310 105 H C -0.406 174.935 175.328 0.023 0.000 0.980 105 H CA -0.041 56.016 56.048 0.015 0.000 1.422 105 H CB 0.725 30.497 29.762 0.018 0.000 1.432 105 H HN -0.464 7.845 8.280 0.179 0.078 0.577 106 P HA -0.174 nan 4.420 nan 0.000 0.234 106 P C -0.200 177.171 177.300 0.118 0.000 1.167 106 P CA 2.011 65.101 63.100 -0.016 0.000 0.763 106 P CB 0.378 32.023 31.700 -0.092 0.000 0.835 107 E N -2.596 117.815 120.200 0.352 0.000 2.279 107 E HA 0.126 nan 4.350 nan 0.000 0.199 107 E C 0.215 176.942 176.600 0.212 0.000 0.893 107 E CA 0.073 56.653 56.400 0.299 0.000 0.978 107 E CB 0.878 30.773 29.700 0.324 0.000 0.964 107 E HN -0.357 8.271 8.360 0.622 0.106 0.486 108 G N -0.908 108.002 108.800 0.182 0.000 2.474 108 G HA2 -0.241 nan 3.960 nan 0.000 0.233 108 G HA3 -0.241 nan 3.960 nan 0.000 0.233 108 G C -1.488 173.472 174.900 0.100 0.000 1.278 108 G CA 0.677 45.797 45.100 0.032 0.000 0.861 108 G HN -0.246 8.260 8.290 0.361 0.000 0.567 109 N N 0.215 118.979 118.700 0.107 0.000 2.067 109 N HA 0.016 nan 4.740 nan 0.000 0.227 109 N C -0.340 175.262 175.510 0.154 0.000 1.348 109 N CA -0.043 53.085 53.050 0.130 0.000 0.879 109 N CB 1.389 39.975 38.487 0.166 0.000 1.109 109 N HN 0.283 8.725 8.380 0.104 0.000 0.501 110 F N 3.855 123.794 119.950 -0.018 0.000 2.678 110 F HA -0.019 nan 4.527 nan 0.000 0.358 110 F C -0.441 175.333 175.800 -0.043 0.000 1.256 110 F CA -2.065 55.913 58.000 -0.036 0.000 1.278 110 F CB -1.906 37.072 39.000 -0.036 0.000 1.681 110 F HN -0.504 7.941 8.300 0.241 0.000 0.661 111 C N 6.491 125.690 119.300 -0.169 0.000 2.378 111 C HA -0.200 nan 4.460 nan 0.000 0.395 111 C C 1.201 175.963 174.990 -0.380 0.000 1.476 111 C CA -0.189 58.695 59.018 -0.222 0.000 1.541 111 C CB 0.138 27.782 27.740 -0.160 0.000 2.524 111 C HN 0.179 8.323 8.230 -0.053 0.055 0.595 112 L N 8.082 129.142 121.223 -0.272 0.000 2.549 112 L HA -0.153 nan 4.340 nan 0.000 0.230 112 L C 0.709 177.442 176.870 -0.228 0.000 1.162 112 L CA 1.491 56.172 54.840 -0.265 0.000 0.834 112 L CB -0.369 41.593 42.059 -0.161 0.000 0.947 112 L HN 0.588 8.703 8.230 -0.192 0.000 0.452 113 K N -2.461 117.816 120.400 -0.206 0.000 2.446 113 K HA 0.103 nan 4.320 nan 0.000 0.203 113 K C -0.346 176.154 176.600 -0.166 0.000 1.027 113 K CA -1.050 55.141 56.287 -0.160 0.000 1.166 113 K CB -0.619 31.805 32.500 -0.127 0.000 0.869 113 K HN -0.585 7.455 8.250 -0.213 0.083 0.504 114 N N -0.996 117.565 118.700 -0.231 0.000 2.424 114 N HA 0.011 nan 4.740 nan 0.000 0.257 114 N C -0.051 175.389 175.510 -0.115 0.000 1.250 114 N CA 0.116 53.055 53.050 -0.185 0.000 0.946 114 N CB 0.680 39.004 38.487 -0.273 0.000 1.175 114 N HN -0.677 7.420 8.380 -0.315 0.093 0.477 115 D N -1.256 119.111 120.400 -0.056 0.000 2.593 115 D HA 0.180 nan 4.640 nan 0.000 0.241 115 D C -0.113 176.192 176.300 0.008 0.000 1.257 115 D CA -0.592 53.393 54.000 -0.026 0.000 0.828 115 D CB 0.583 41.369 40.800 -0.023 0.000 1.049 115 D HN 0.370 8.713 8.370 -0.045 0.000 0.490 116 L N -1.982 119.276 121.223 0.059 0.000 2.286 116 L HA 0.148 nan 4.340 nan 0.000 0.203 116 L C 0.723 177.679 176.870 0.142 0.000 1.068 116 L CA 1.395 56.306 54.840 0.118 0.000 0.811 116 L CB 1.091 43.286 42.059 0.226 0.000 0.989 116 L HN -0.151 8.355 8.230 0.054 -0.244 0.467 117 S N 0.251 116.069 115.700 0.196 0.000 2.368 117 S HA -0.288 nan 4.470 nan 0.000 0.225 117 S C 0.370 175.016 174.600 0.077 0.000 1.030 117 S CA 2.835 61.131 58.200 0.161 0.000 0.999 117 S CB 0.383 63.683 63.200 0.168 0.000 0.844 117 S HN -0.492 8.230 8.310 0.213 -0.284 0.459 118 M N -0.122 119.509 119.600 0.051 0.000 2.037 118 M HA 0.289 nan 4.480 nan 0.000 0.255 118 M C -2.937 173.383 176.300 0.034 0.000 0.914 118 M CA -2.454 52.867 55.300 0.035 0.000 0.986 118 M CB 2.264 34.877 32.600 0.022 0.000 1.947 118 M HN -0.525 7.792 8.290 0.045 0.000 0.419 119 P HA -0.051 nan 4.420 nan 0.000 0.266 119 P C -1.709 175.627 177.300 0.060 0.000 1.215 119 P CA -0.043 63.088 63.100 0.052 0.000 0.763 119 P CB 0.371 32.112 31.700 0.068 0.000 0.806 120 R N 3.646 124.190 120.500 0.074 0.000 2.225 120 R HA 0.141 nan 4.340 nan 0.000 0.194 120 R C 0.443 176.866 176.300 0.204 0.000 0.957 120 R CA -0.188 55.974 56.100 0.104 0.000 1.042 120 R CB 1.004 31.345 30.300 0.068 0.000 1.004 120 R HN 0.284 9.099 8.270 0.062 -0.507 0.509 121 G N -0.027 108.889 108.800 0.193 0.000 2.256 121 G HA2 -0.300 nan 3.960 nan 0.000 0.272 121 G HA3 -0.300 nan 3.960 nan 0.000 0.272 121 G C -1.291 173.796 174.900 0.312 0.000 1.076 121 G CA 0.248 45.538 45.100 0.316 0.000 0.882 121 G HN -0.151 8.644 8.290 0.127 -0.428 0.497 122 T N -4.554 110.073 114.554 0.123 0.000 2.742 122 T HA 0.671 nan 4.350 nan 0.000 0.282 122 T C -1.859 172.699 174.700 -0.238 0.000 1.025 122 T CA -2.431 59.644 62.100 -0.042 0.000 1.020 122 T CB 3.502 72.348 68.868 -0.037 0.000 1.317 122 T HN -0.939 7.353 8.240 0.086 0.000 0.538 123 M N -0.648 118.734 119.600 -0.362 0.000 2.368 123 M HA 0.292 nan 4.480 nan 0.000 0.311 123 M C 1.425 177.621 176.300 -0.174 0.000 1.168 123 M CA -1.546 53.549 55.300 -0.342 0.000 1.044 123 M CB 2.346 34.730 32.600 -0.360 0.000 1.506 123 M HN -0.064 8.038 8.290 -0.314 0.000 0.475 124 Q N 2.089 121.811 119.800 -0.131 0.000 2.364 124 Q HA -0.334 nan 4.340 nan 0.000 0.209 124 Q C 2.293 178.247 176.000 -0.077 0.000 0.977 124 Q CA 3.599 59.347 55.803 -0.092 0.000 0.885 124 Q CB -0.118 28.571 28.738 -0.082 0.000 0.941 124 Q HN 0.335 8.765 8.270 -0.133 -0.239 0.464 125 D N -1.084 119.266 120.400 -0.084 0.000 2.310 125 D HA -0.210 nan 4.640 nan 0.000 0.212 125 D C 0.809 177.074 176.300 -0.058 0.000 0.965 125 D CA 1.258 55.220 54.000 -0.064 0.000 0.879 125 D CB -0.377 40.382 40.800 -0.069 0.000 0.921 125 D HN 0.013 8.271 8.370 -0.104 0.049 0.510 126 G N -1.797 106.961 108.800 -0.069 0.000 2.132 126 G HA2 -0.306 nan 3.960 nan 0.000 0.234 126 G HA3 -0.306 nan 3.960 nan 0.000 0.234 126 G C -1.110 173.758 174.900 -0.054 0.000 0.989 126 G CA 0.171 45.242 45.100 -0.049 0.000 0.676 126 G HN 0.270 8.317 8.290 -0.090 0.189 0.522 127 T N -5.436 109.068 114.554 -0.084 0.000 2.924 127 T HA 0.315 nan 4.350 nan 0.000 0.291 127 T C -1.606 173.028 174.700 -0.110 0.000 1.045 127 T CA -2.053 59.999 62.100 -0.080 0.000 1.015 127 T CB 3.117 71.945 68.868 -0.066 0.000 1.103 127 T HN -0.925 7.206 8.240 -0.104 0.047 0.496 128 S N 0.283 115.953 115.700 -0.051 0.000 2.693 128 S HA 0.479 nan 4.470 nan 0.000 0.276 128 S C -0.345 174.283 174.600 0.046 0.000 1.192 128 S CA -0.248 57.995 58.200 0.071 0.000 0.994 128 S CB 1.346 64.572 63.200 0.044 0.000 1.012 128 S HN 0.124 8.404 8.310 -0.049 0.000 0.550 129 R N -0.649 119.911 120.500 0.100 0.000 2.541 129 R HA 0.322 nan 4.340 nan 0.000 0.332 129 R C -1.004 175.044 176.300 -0.420 0.000 0.951 129 R CA -0.509 55.454 56.100 -0.228 0.000 1.136 129 R CB 2.557 32.680 30.300 -0.294 0.000 1.449 129 R HN -0.068 8.365 8.270 0.273 0.000 0.531 130 F N -1.574 118.382 119.950 0.011 0.000 2.546 130 F HA 0.676 nan 4.527 nan 0.000 0.320 130 F C -1.002 174.786 175.800 -0.019 0.000 1.076 130 F CA -1.996 55.978 58.000 -0.043 0.000 0.928 130 F CB 3.291 42.208 39.000 -0.139 0.000 1.189 130 F HN -0.141 8.087 8.300 -0.119 0.000 0.465 131 T N 3.451 118.140 114.554 0.225 0.000 3.032 131 T HA 0.447 nan 4.350 nan 0.000 0.312 131 T C -2.646 172.142 174.700 0.147 0.000 1.078 131 T CA 0.147 62.334 62.100 0.145 0.000 1.028 131 T CB 2.541 71.475 68.868 0.110 0.000 1.091 131 T HN 0.206 8.605 8.240 0.265 0.000 0.457 132 C N 5.194 124.592 119.300 0.164 0.000 2.634 132 C HA 0.810 nan 4.460 nan 0.000 0.313 132 C C -0.909 174.244 174.990 0.271 0.000 1.198 132 C CA -1.429 57.724 59.018 0.226 0.000 1.605 132 C CB 2.498 30.413 27.740 0.291 0.000 2.196 132 C HN 0.801 9.029 8.230 0.162 0.099 0.486 133 R N 3.075 123.706 120.500 0.219 0.000 3.835 133 R HA -0.423 nan 4.340 nan 0.000 0.258 133 R C 0.164 176.539 176.300 0.124 0.000 0.513 133 R CA 2.452 58.643 56.100 0.152 0.000 1.067 133 R CB -1.280 29.116 30.300 0.160 0.000 0.903 133 R HN 0.908 9.297 8.270 0.197 0.000 0.594 134 G N -1.925 106.954 108.800 0.132 0.000 3.430 134 G HA2 0.085 nan 3.960 nan 0.000 0.222 134 G HA3 0.085 nan 3.960 nan 0.000 0.222 134 G C -0.854 174.114 174.900 0.113 0.000 1.102 134 G CA 0.106 45.267 45.100 0.101 0.000 0.927 134 G HN -0.123 8.263 8.290 0.161 0.000 0.597 135 K N 2.222 122.718 120.400 0.161 0.000 2.174 135 K HA 0.463 nan 4.320 nan 0.000 0.275 135 K C -2.669 174.009 176.600 0.129 0.000 1.015 135 K CA -2.755 53.629 56.287 0.163 0.000 0.933 135 K CB 0.425 33.077 32.500 0.253 0.000 1.025 135 K HN -0.003 8.370 8.250 0.206 0.000 0.463 136 P HA 0.197 nan 4.420 nan 0.000 0.280 136 P C -1.344 175.964 177.300 0.014 0.000 1.244 136 P CA -0.363 62.763 63.100 0.043 0.000 0.784 136 P CB 0.375 32.075 31.700 0.000 0.000 0.913 137 I N 2.556 123.147 120.570 0.036 0.000 2.498 137 I HA 0.128 nan 4.170 nan 0.000 0.301 137 I C -0.147 176.018 176.117 0.081 0.000 0.984 137 I CA -2.547 58.764 61.300 0.018 0.000 1.204 137 I CB 1.258 39.235 38.000 -0.039 0.000 1.362 137 I HN 0.302 8.441 8.210 0.099 0.131 0.471 138 H N 4.297 123.412 119.070 0.074 0.000 2.597 138 H HA 0.148 nan 4.556 nan 0.000 0.370 138 H C -0.086 175.361 175.328 0.198 0.000 1.281 138 H CA 0.391 56.542 56.048 0.171 0.000 1.422 138 H CB 1.326 31.172 29.762 0.140 0.000 1.524 138 H HN 0.039 8.502 8.280 0.305 0.000 0.607 139 H N -1.215 118.063 119.070 0.346 0.000 2.502 139 H HA 0.286 nan 4.556 nan 0.000 0.338 139 H C -0.894 174.631 175.328 0.329 0.000 1.155 139 H CA -1.283 54.967 56.048 0.336 0.000 1.237 139 H CB 2.141 32.025 29.762 0.204 0.000 1.534 139 H HN 0.105 8.635 8.280 0.610 0.116 0.523 140 F N 2.920 123.018 119.950 0.246 0.000 2.402 140 F HA 0.135 nan 4.527 nan 0.000 0.355 140 F C -0.950 174.938 175.800 0.147 0.000 1.123 140 F CA -1.929 56.162 58.000 0.152 0.000 1.021 140 F CB 1.524 40.574 39.000 0.084 0.000 1.160 140 F HN 0.846 9.440 8.300 0.489 0.000 0.451 141 L N 6.589 127.610 121.223 -0.336 0.000 3.976 141 L HA -0.370 nan 4.340 nan 0.000 0.418 141 L C 0.209 177.045 176.870 -0.058 0.000 1.177 141 L CA 0.152 54.812 54.840 -0.299 0.000 0.968 141 L CB -1.740 39.989 42.059 -0.550 0.000 1.933 141 L HN 1.070 9.164 8.230 -0.227 0.000 0.976 142 G N -6.907 101.918 108.800 0.042 0.000 2.258 142 G HA2 -0.468 nan 3.960 nan 0.000 0.274 142 G HA3 -0.468 nan 3.960 nan 0.000 0.274 142 G C -0.496 174.472 174.900 0.113 0.000 1.021 142 G CA 0.964 46.102 45.100 0.065 0.000 0.798 142 G HN 0.259 8.573 8.290 0.082 0.025 0.507 143 T N -6.048 108.604 114.554 0.163 0.000 3.311 143 T HA 0.277 nan 4.350 nan 0.000 0.239 143 T C 0.042 174.881 174.700 0.233 0.000 0.976 143 T CA 0.073 62.278 62.100 0.176 0.000 1.283 143 T CB 2.069 71.038 68.868 0.168 0.000 1.113 143 T HN -0.156 8.023 8.240 0.165 0.161 0.392 144 S N 2.706 118.565 115.700 0.265 0.000 3.386 144 S HA -0.366 nan 4.470 nan 0.000 0.403 144 S C 0.099 174.763 174.600 0.106 0.000 0.893 144 S CA 1.281 59.607 58.200 0.210 0.000 1.336 144 S CB -1.283 62.100 63.200 0.304 0.000 0.925 144 S HN -0.129 8.363 8.310 0.304 0.000 0.589 145 T N -4.382 110.179 114.554 0.013 0.000 3.100 145 T HA 0.058 nan 4.350 nan 0.000 0.253 145 T C 1.537 176.383 174.700 0.243 0.000 1.118 145 T CA 0.914 63.044 62.100 0.049 0.000 1.058 145 T CB 0.348 69.242 68.868 0.043 0.000 0.953 145 T HN -0.281 7.781 8.240 -0.055 0.146 0.515 146 F N 4.809 124.861 119.950 0.170 0.000 2.783 146 F HA 0.294 nan 4.527 nan 0.000 0.338 146 F C -1.803 174.145 175.800 0.246 0.000 1.178 146 F CA -3.229 54.965 58.000 0.324 0.000 1.343 146 F CB -2.861 36.203 39.000 0.107 0.000 1.496 146 F HN -0.278 7.986 8.300 0.019 0.047 0.583 147 S N -2.512 113.303 115.700 0.192 0.000 2.537 147 S HA 0.289 nan 4.470 nan 0.000 0.271 147 S C -0.551 173.859 174.600 -0.315 0.000 1.148 147 S CA -1.176 56.986 58.200 -0.063 0.000 0.868 147 S CB 2.209 65.347 63.200 -0.105 0.000 1.115 147 S HN -0.265 8.069 8.310 0.182 0.085 0.461 148 Q N 2.578 122.203 119.800 -0.291 0.000 2.170 148 Q HA -0.194 nan 4.340 nan 0.000 0.203 148 Q C 0.246 175.821 176.000 -0.709 0.000 0.976 148 Q CA 3.252 58.735 55.803 -0.533 0.000 0.858 148 Q CB 1.137 29.738 28.738 -0.229 0.000 0.907 148 Q HN 0.055 8.236 8.270 -0.149 0.000 0.433 149 Y N -4.995 115.225 120.300 -0.132 0.000 2.421 149 Y HA 0.327 nan 4.550 nan 0.000 0.339 149 Y C -1.398 174.549 175.900 0.080 0.000 0.996 149 Y CA -0.787 57.288 58.100 -0.041 0.000 1.046 149 Y CB 2.982 41.450 38.460 0.013 0.000 1.226 149 Y HN -0.872 7.401 8.280 0.018 0.017 0.445 150 T N 3.539 118.237 114.554 0.239 0.000 2.896 150 T HA 0.410 nan 4.350 nan 0.000 0.297 150 T C -2.849 171.978 174.700 0.211 0.000 1.108 150 T CA -2.103 60.188 62.100 0.320 0.000 1.004 150 T CB 3.668 72.683 68.868 0.245 0.000 1.159 150 T HN 0.472 8.810 8.240 0.163 0.000 0.499 151 V N 5.113 125.131 119.914 0.175 0.000 2.487 151 V HA 0.947 nan 4.120 nan 0.000 0.298 151 V C -2.166 173.969 176.094 0.069 0.000 1.028 151 V CA -2.631 59.718 62.300 0.081 0.000 0.860 151 V CB 2.641 34.475 31.823 0.018 0.000 0.991 151 V HN 0.257 8.578 8.190 0.218 0.000 0.427 152 V N 2.155 122.096 119.914 0.045 0.000 2.864 152 V HA 0.740 nan 4.120 nan 0.000 0.314 152 V C -1.512 174.580 176.094 -0.002 0.000 1.073 152 V CA -3.236 59.079 62.300 0.025 0.000 0.956 152 V CB 2.863 34.707 31.823 0.035 0.000 1.023 152 V HN 0.779 8.993 8.190 0.041 0.000 0.435 153 D N 1.876 122.263 120.400 -0.022 0.000 2.372 153 D HA -0.005 nan 4.640 nan 0.000 0.243 153 D C 1.128 177.423 176.300 -0.008 0.000 1.121 153 D CA 1.570 55.558 54.000 -0.020 0.000 0.898 153 D CB 1.717 42.491 40.800 -0.044 0.000 1.202 153 D HN 0.237 8.590 8.370 -0.030 0.000 0.428 154 E N 5.570 125.778 120.200 0.013 0.000 2.085 154 E HA -0.369 nan 4.350 nan 0.000 0.194 154 E C 1.753 178.345 176.600 -0.013 0.000 0.994 154 E CA 3.083 59.492 56.400 0.016 0.000 0.801 154 E CB 0.057 29.791 29.700 0.056 0.000 0.743 154 E HN 0.295 8.676 8.360 0.036 0.000 0.453 155 I N -3.224 117.326 120.570 -0.033 0.000 2.315 155 I HA -0.335 nan 4.170 nan 0.000 0.251 155 I C -0.039 176.041 176.117 -0.061 0.000 1.125 155 I CA 2.444 63.711 61.300 -0.055 0.000 1.392 155 I CB 0.110 38.066 38.000 -0.075 0.000 1.065 155 I HN 0.136 8.319 8.210 -0.033 0.007 0.424 156 S N -1.278 114.391 115.700 -0.053 0.000 2.481 156 S HA 0.171 nan 4.470 nan 0.000 0.243 156 S C -1.823 172.754 174.600 -0.038 0.000 1.152 156 S CA -0.348 57.817 58.200 -0.060 0.000 1.168 156 S CB -0.022 63.147 63.200 -0.052 0.000 0.835 156 S HN -0.527 7.582 8.310 -0.041 0.176 0.474 157 V N -0.110 119.785 119.914 -0.032 0.000 2.969 157 V HA 0.531 nan 4.120 nan 0.000 0.304 157 V C -2.926 173.160 176.094 -0.014 0.000 1.192 157 V CA -0.506 61.785 62.300 -0.015 0.000 0.962 157 V CB 4.625 36.447 31.823 -0.001 0.000 1.045 157 V HN -0.538 7.573 8.190 -0.035 0.058 0.428 158 A N 6.084 128.901 122.820 -0.006 0.000 2.374 158 A HA 0.668 nan 4.320 nan 0.000 0.305 158 A C -2.228 175.360 177.584 0.007 0.000 1.053 158 A CA -1.427 50.610 52.037 0.000 0.000 0.726 158 A CB 3.016 22.018 19.000 0.003 0.000 1.229 158 A HN 0.390 8.540 8.150 -0.001 0.000 0.431 159 K N 3.466 123.870 120.400 0.007 0.000 2.368 159 K HA 0.195 nan 4.320 nan 0.000 0.282 159 K C -1.080 175.526 176.600 0.011 0.000 1.035 159 K CA 0.253 56.545 56.287 0.008 0.000 0.973 159 K CB 0.405 32.909 32.500 0.007 0.000 0.957 159 K HN 0.253 8.507 8.250 0.006 0.000 0.474 160 I N 5.684 126.261 120.570 0.011 0.000 2.740 160 I HA 0.018 nan 4.170 nan 0.000 0.303 160 I C -1.804 174.320 176.117 0.012 0.000 1.044 160 I CA -2.062 59.246 61.300 0.014 0.000 1.064 160 I CB 3.469 41.477 38.000 0.014 0.000 1.249 160 I HN 0.435 8.650 8.210 0.009 0.000 0.433 161 D N 4.312 124.722 120.400 0.016 0.000 2.658 161 D HA -0.193 nan 4.640 nan 0.000 0.230 161 D C 1.199 177.507 176.300 0.013 0.000 1.118 161 D CA 1.085 55.094 54.000 0.014 0.000 0.848 161 D CB 1.228 42.039 40.800 0.019 0.000 1.160 161 D HN 0.041 8.422 8.370 0.020 0.000 0.497 162 A N 5.686 128.511 122.820 0.009 0.000 2.225 162 A HA -0.118 nan 4.320 nan 0.000 0.215 162 A C -0.333 177.256 177.584 0.008 0.000 1.164 162 A CA 1.872 53.913 52.037 0.007 0.000 0.710 162 A CB -0.285 18.718 19.000 0.004 0.000 0.780 162 A HN 0.442 8.596 8.150 0.007 0.000 0.473 163 A N -3.718 119.109 122.820 0.011 0.000 2.348 163 A HA 0.170 nan 4.320 nan 0.000 0.224 163 A C 0.160 177.761 177.584 0.027 0.000 1.227 163 A CA -0.490 51.554 52.037 0.012 0.000 0.885 163 A CB 0.638 19.640 19.000 0.003 0.000 0.933 163 A HN -0.251 8.143 8.150 0.012 -0.237 0.506 164 S N 1.984 117.704 115.700 0.033 0.000 2.549 164 S HA 0.130 nan 4.470 nan 0.000 0.279 164 S C -2.033 172.592 174.600 0.041 0.000 1.321 164 S CA -0.962 57.269 58.200 0.053 0.000 1.054 164 S CB 0.108 63.328 63.200 0.033 0.000 0.899 164 S HN -0.399 7.749 8.310 0.024 0.176 0.497 165 P HA 0.245 nan 4.420 nan 0.000 0.262 165 P C -0.077 177.221 177.300 -0.003 0.000 1.620 165 P CA -0.572 62.553 63.100 0.041 0.000 1.089 165 P CB 0.004 31.755 31.700 0.084 0.000 1.601 166 L N 4.328 125.548 121.223 -0.004 0.000 2.211 166 L HA -0.530 nan 4.340 nan 0.000 0.216 166 L C 1.826 178.687 176.870 -0.014 0.000 1.092 166 L CA 3.268 58.099 54.840 -0.015 0.000 0.767 166 L CB -0.847 41.207 42.059 -0.008 0.000 0.894 166 L HN -0.298 7.935 8.230 0.005 0.000 0.437 167 E N -2.017 118.182 120.200 -0.002 0.000 2.274 167 E HA -0.191 nan 4.350 nan 0.000 0.194 167 E C 1.031 177.618 176.600 -0.021 0.000 0.996 167 E CA 2.510 58.915 56.400 0.008 0.000 0.840 167 E CB -0.373 29.341 29.700 0.024 0.000 0.772 167 E HN 0.186 8.510 8.360 0.005 0.039 0.491 168 K N -1.230 119.130 120.400 -0.066 0.000 2.108 168 K HA 0.005 nan 4.320 nan 0.000 0.204 168 K C 1.899 178.333 176.600 -0.277 0.000 1.036 168 K CA 1.702 57.898 56.287 -0.152 0.000 0.965 168 K CB 0.635 33.035 32.500 -0.166 0.000 0.804 168 K HN -0.173 7.898 8.250 -0.053 0.147 0.454 169 V N 0.329 120.042 119.914 -0.335 0.000 2.660 169 V HA -0.335 nan 4.120 nan 0.000 0.257 169 V C 1.875 177.886 176.094 -0.137 0.000 1.088 169 V CA 3.630 65.734 62.300 -0.326 0.000 1.106 169 V CB -1.189 30.495 31.823 -0.231 0.000 0.686 169 V HN -0.121 7.913 8.190 -0.261 0.000 0.481 170 C N -0.826 118.434 119.300 -0.067 0.000 2.419 170 C HA -0.212 nan 4.460 nan 0.000 0.283 170 C C 2.149 177.167 174.990 0.047 0.000 1.373 170 C CA 2.122 61.146 59.018 0.009 0.000 1.781 170 C CB -2.347 25.412 27.740 0.032 0.000 1.886 170 C HN -0.489 7.654 8.230 -0.072 0.043 0.520 171 L N 1.885 123.116 121.223 0.013 0.000 2.265 171 L HA -0.232 nan 4.340 nan 0.000 0.215 171 L C 1.626 178.597 176.870 0.167 0.000 1.117 171 L CA 1.490 56.377 54.840 0.078 0.000 0.782 171 L CB -1.210 40.872 42.059 0.038 0.000 0.914 171 L HN -0.498 7.666 8.230 -0.052 0.035 0.441 172 I N -1.438 119.204 120.570 0.120 0.000 3.001 172 I HA -0.258 nan 4.170 nan 0.000 0.268 172 I C 0.988 177.300 176.117 0.326 0.000 1.267 172 I CA 2.206 63.631 61.300 0.209 0.000 1.472 172 I CB -0.776 37.288 38.000 0.106 0.000 1.089 172 I HN -0.245 7.828 8.210 0.025 0.152 0.468 173 G N -2.060 106.919 108.800 0.297 0.000 2.848 173 G HA2 -0.127 nan 3.960 nan 0.000 0.208 173 G HA3 -0.127 nan 3.960 nan 0.000 0.208 173 G C -1.486 173.784 174.900 0.617 0.000 1.152 173 G CA 0.440 45.768 45.100 0.380 0.000 0.789 173 G HN 0.009 8.231 8.290 0.208 0.192 0.531 174 C N -2.685 116.968 119.300 0.588 0.000 3.444 174 C HA 0.136 nan 4.460 nan 0.000 0.119 174 C C 0.736 175.963 174.990 0.395 0.000 2.749 174 C CA 0.857 60.271 59.018 0.661 0.000 0.803 174 C CB -0.822 27.273 27.740 0.593 0.000 1.651 174 C HN -0.574 7.740 8.230 0.442 0.181 0.629 175 G N 2.482 111.454 108.800 0.287 0.000 2.816 175 G HA2 -0.493 nan 3.960 nan 0.000 0.229 175 G HA3 -0.493 nan 3.960 nan 0.000 0.229 175 G C 0.720 175.734 174.900 0.189 0.000 1.158 175 G CA 2.672 47.895 45.100 0.206 0.000 0.761 175 G HN -0.346 8.353 8.290 0.261 -0.252 0.636 176 F N 1.352 121.346 119.950 0.072 0.000 2.187 176 F HA -0.077 nan 4.527 nan 0.000 0.295 176 F C 1.419 177.230 175.800 0.018 0.000 1.091 176 F CA 3.028 61.039 58.000 0.018 0.000 1.308 176 F CB 0.645 39.622 39.000 -0.039 0.000 1.030 176 F HN 0.045 8.553 8.300 0.346 0.000 0.487 177 S N 0.048 115.826 115.700 0.131 0.000 2.356 177 S HA -0.398 nan 4.470 nan 0.000 0.223 177 S C 2.520 177.009 174.600 -0.186 0.000 1.032 177 S CA 4.077 62.271 58.200 -0.009 0.000 1.005 177 S CB -0.431 62.651 63.200 -0.196 0.000 0.867 177 S HN -0.241 8.245 8.310 0.294 0.000 0.449 178 T N -1.073 113.395 114.554 -0.143 0.000 2.708 178 T HA -0.177 nan 4.350 nan 0.000 0.266 178 T C 1.940 176.546 174.700 -0.156 0.000 1.037 178 T CA 4.138 66.173 62.100 -0.107 0.000 1.146 178 T CB -0.513 68.427 68.868 0.120 0.000 0.865 178 T HN 0.345 8.481 8.240 0.007 0.108 0.435 179 G N 1.926 110.639 108.800 -0.145 0.000 2.414 179 G HA2 -0.285 nan 3.960 nan 0.000 0.215 179 G HA3 -0.285 nan 3.960 nan 0.000 0.215 179 G C 0.488 175.188 174.900 -0.333 0.000 1.188 179 G CA 1.689 46.664 45.100 -0.208 0.000 0.783 179 G HN -0.567 7.669 8.290 -0.089 0.000 0.537 180 Y N 3.133 123.062 120.300 -0.618 0.000 2.224 180 Y HA -0.407 nan 4.550 nan 0.000 0.289 180 Y C 1.754 177.374 175.900 -0.467 0.000 1.146 180 Y CA 2.971 60.661 58.100 -0.682 0.000 1.182 180 Y CB 0.277 37.973 38.460 -1.274 0.000 0.983 180 Y HN 0.405 8.287 8.280 -0.483 0.108 0.524 181 G N -3.491 105.095 108.800 -0.357 0.000 2.422 181 G HA2 -0.409 nan 3.960 nan 0.000 0.218 181 G HA3 -0.409 nan 3.960 nan 0.000 0.218 181 G C 1.137 175.725 174.900 -0.520 0.000 1.140 181 G CA 2.107 46.770 45.100 -0.729 0.000 0.775 181 G HN 0.226 8.239 8.290 -0.288 0.104 0.545 182 S N 3.012 118.494 115.700 -0.363 0.000 2.368 182 S HA -0.378 nan 4.470 nan 0.000 0.225 182 S C 1.521 176.061 174.600 -0.099 0.000 1.030 182 S CA 4.271 62.365 58.200 -0.176 0.000 0.999 182 S CB -0.406 62.742 63.200 -0.087 0.000 0.844 182 S HN -0.478 7.530 8.310 -0.355 0.089 0.459 183 A N 0.955 123.589 122.820 -0.311 0.000 1.832 183 A HA -0.151 nan 4.320 nan 0.000 0.214 183 A C 1.953 179.368 177.584 -0.283 0.000 1.200 183 A CA 3.076 54.930 52.037 -0.304 0.000 0.610 183 A CB -0.814 17.866 19.000 -0.533 0.000 0.842 183 A HN -0.668 7.222 8.150 -0.434 0.000 0.444 184 V N -2.002 117.663 119.914 -0.416 0.000 2.270 184 V HA -0.250 nan 4.120 nan 0.000 0.245 184 V C 1.262 177.233 176.094 -0.205 0.000 1.043 184 V CA 3.658 65.762 62.300 -0.327 0.000 1.014 184 V CB -0.406 31.173 31.823 -0.407 0.000 0.645 184 V HN -0.414 7.435 8.190 -0.569 0.000 0.447 185 K N -2.791 117.462 120.400 -0.245 0.000 2.029 185 K HA -0.033 nan 4.320 nan 0.000 0.205 185 K C 2.205 178.721 176.600 -0.140 0.000 1.042 185 K CA 2.323 58.493 56.287 -0.193 0.000 0.949 185 K CB 0.720 33.010 32.500 -0.349 0.000 0.740 185 K HN -0.342 7.597 8.250 -0.346 0.103 0.442 186 V N -3.313 116.508 119.914 -0.155 0.000 2.488 186 V HA -0.001 nan 4.120 nan 0.000 0.246 186 V C 1.185 177.271 176.094 -0.014 0.000 1.046 186 V CA 3.233 65.489 62.300 -0.073 0.000 1.053 186 V CB -0.417 31.363 31.823 -0.072 0.000 0.679 186 V HN -0.139 7.918 8.190 -0.222 0.000 0.458 187 A N -1.835 120.990 122.820 0.009 0.000 2.044 187 A HA 0.036 nan 4.320 nan 0.000 0.213 187 A C 0.034 177.602 177.584 -0.027 0.000 1.169 187 A CA 0.682 52.744 52.037 0.041 0.000 0.724 187 A CB 0.814 19.864 19.000 0.084 0.000 0.840 187 A HN 0.010 8.161 8.150 0.001 0.000 0.463 188 K N -3.494 116.840 120.400 -0.109 0.000 3.939 188 K HA -0.386 nan 4.320 nan 0.000 0.281 188 K C -1.021 175.395 176.600 -0.307 0.000 0.981 188 K CA 0.066 56.271 56.287 -0.136 0.000 0.833 188 K CB -2.645 29.836 32.500 -0.032 0.000 1.501 188 K HN -0.490 7.696 8.250 -0.107 0.000 0.445 189 V N -0.883 118.713 119.914 -0.531 0.000 2.599 189 V HA -0.147 nan 4.120 nan 0.000 0.300 189 V C -0.368 175.482 176.094 -0.407 0.000 1.034 189 V CA 1.643 63.386 62.300 -0.927 0.000 1.115 189 V CB 0.029 31.478 31.823 -0.622 0.000 0.934 189 V HN -0.596 7.362 8.190 -0.385 0.000 0.485 190 T N 5.015 119.434 114.554 -0.224 0.000 2.934 190 T HA 0.242 nan 4.350 nan 0.000 0.283 190 T C -0.837 173.884 174.700 0.035 0.000 1.005 190 T CA -1.637 60.471 62.100 0.013 0.000 1.041 190 T CB 1.174 70.136 68.868 0.156 0.000 1.042 190 T HN -0.099 7.978 8.240 -0.272 0.000 0.505 191 Q N 1.813 121.631 119.800 0.030 0.000 2.524 191 Q HA -0.380 nan 4.340 nan 0.000 0.246 191 Q C 1.474 177.509 176.000 0.059 0.000 1.063 191 Q CA 1.497 57.320 55.803 0.033 0.000 0.945 191 Q CB 0.351 29.104 28.738 0.024 0.000 1.292 191 Q HN 0.310 8.594 8.270 0.023 0.000 0.518 192 G N 1.432 110.264 108.800 0.052 0.000 2.216 192 G HA2 -0.457 nan 3.960 nan 0.000 0.269 192 G HA3 -0.457 nan 3.960 nan 0.000 0.269 192 G C -0.230 174.722 174.900 0.086 0.000 0.981 192 G CA 0.451 45.585 45.100 0.057 0.000 0.658 192 G HN 0.164 8.478 8.290 0.041 0.000 0.539 193 S N -0.030 115.751 115.700 0.134 0.000 2.633 193 S HA 0.102 nan 4.470 nan 0.000 0.257 193 S C -1.086 173.620 174.600 0.176 0.000 1.265 193 S CA 0.416 58.742 58.200 0.210 0.000 0.980 193 S CB 1.478 64.950 63.200 0.454 0.000 1.017 193 S HN -0.629 7.663 8.310 0.129 0.096 0.577 194 T N 1.972 116.646 114.554 0.200 0.000 2.879 194 T HA 0.516 nan 4.350 nan 0.000 0.290 194 T C -1.502 173.324 174.700 0.210 0.000 0.993 194 T CA 0.022 62.211 62.100 0.148 0.000 0.975 194 T CB 1.819 70.736 68.868 0.081 0.000 0.981 194 T HN -0.298 8.280 8.240 0.230 -0.200 0.439 195 C N 5.466 124.892 119.300 0.210 0.000 2.719 195 C HA 1.115 nan 4.460 nan 0.000 0.327 195 C C -1.920 173.186 174.990 0.193 0.000 1.238 195 C CA -2.460 56.724 59.018 0.277 0.000 1.727 195 C CB 4.133 32.094 27.740 0.368 0.000 2.256 195 C HN 0.986 9.310 8.230 0.157 0.000 0.489 196 A N 0.384 123.353 122.820 0.247 0.000 2.381 196 A HA 0.774 nan 4.320 nan 0.000 0.299 196 A C -2.660 175.129 177.584 0.341 0.000 1.049 196 A CA -0.937 51.210 52.037 0.184 0.000 0.715 196 A CB 2.441 21.545 19.000 0.174 0.000 1.222 196 A HN 0.763 9.106 8.150 0.323 0.000 0.428 197 V N 3.201 123.238 119.914 0.204 0.000 2.350 197 V HA 0.653 nan 4.120 nan 0.000 0.285 197 V C -1.492 174.711 176.094 0.182 0.000 1.014 197 V CA -1.391 61.076 62.300 0.278 0.000 0.831 197 V CB 1.183 33.070 31.823 0.107 0.000 1.000 197 V HN 0.573 8.791 8.190 0.047 0.000 0.433 198 F N 6.230 126.255 119.950 0.125 0.000 2.411 198 F HA 0.452 nan 4.527 nan 0.000 0.355 198 F C -0.363 175.497 175.800 0.099 0.000 1.117 198 F CA -1.563 56.495 58.000 0.097 0.000 1.139 198 F CB 0.548 39.604 39.000 0.093 0.000 1.120 198 F HN 0.752 9.488 8.300 0.726 0.000 0.493 199 G N 5.437 114.364 108.800 0.211 0.000 3.448 199 G HA2 -0.292 nan 3.960 nan 0.000 0.685 199 G HA3 -0.292 nan 3.960 nan 0.000 0.685 199 G C -1.787 173.187 174.900 0.124 0.000 1.151 199 G CA -0.371 44.831 45.100 0.170 0.000 1.023 199 G HN 0.503 8.881 8.290 0.146 0.000 0.499 200 L N 2.905 124.200 121.223 0.119 0.000 3.034 200 L HA 0.251 nan 4.340 nan 0.000 0.245 200 L C 0.301 177.226 176.870 0.090 0.000 1.295 200 L CA -0.889 54.014 54.840 0.105 0.000 1.068 200 L CB -0.819 41.323 42.059 0.138 0.000 1.426 200 L HN -0.087 8.482 8.230 0.130 -0.261 0.531 201 G N 0.260 109.109 108.800 0.082 0.000 2.489 201 G HA2 0.132 nan 3.960 nan 0.000 0.271 201 G HA3 0.132 nan 3.960 nan 0.000 0.271 201 G C 0.321 175.260 174.900 0.066 0.000 1.427 201 G CA -0.881 44.259 45.100 0.067 0.000 1.057 201 G HN -0.430 7.850 8.290 0.089 0.064 0.532 202 G N -1.534 107.303 108.800 0.060 0.000 2.432 202 G HA2 -0.305 nan 3.960 nan 0.000 0.219 202 G HA3 -0.305 nan 3.960 nan 0.000 0.219 202 G C 0.959 175.907 174.900 0.080 0.000 1.135 202 G CA 2.341 47.484 45.100 0.073 0.000 0.767 202 G HN 0.613 8.932 8.290 0.047 0.000 0.550 203 V N -2.767 117.190 119.914 0.072 0.000 2.407 203 V HA -0.107 nan 4.120 nan 0.000 0.245 203 V C 1.779 177.882 176.094 0.014 0.000 1.041 203 V CA 2.168 64.501 62.300 0.055 0.000 1.040 203 V CB -1.038 30.830 31.823 0.075 0.000 0.671 203 V HN -0.266 7.950 8.190 0.073 0.018 0.455 204 G N 1.131 109.951 108.800 0.033 0.000 2.418 204 G HA2 -0.335 nan 3.960 nan 0.000 0.217 204 G HA3 -0.335 nan 3.960 nan 0.000 0.217 204 G C 1.042 175.937 174.900 -0.010 0.000 1.158 204 G CA 2.186 47.295 45.100 0.014 0.000 0.771 204 G HN -0.132 8.192 8.290 0.057 0.000 0.545 205 L N -0.829 120.411 121.223 0.028 0.000 2.191 205 L HA -0.333 nan 4.340 nan 0.000 0.212 205 L C 2.169 179.057 176.870 0.029 0.000 1.103 205 L CA 2.683 57.547 54.840 0.040 0.000 0.769 205 L CB -0.235 41.870 42.059 0.077 0.000 0.908 205 L HN 0.395 8.654 8.230 0.048 0.000 0.438 206 S N 0.338 116.046 115.700 0.013 0.000 2.371 206 S HA -0.250 nan 4.470 nan 0.000 0.224 206 S C 1.825 176.326 174.600 -0.164 0.000 1.029 206 S CA 4.063 62.242 58.200 -0.034 0.000 0.978 206 S CB -0.401 62.752 63.200 -0.077 0.000 0.833 206 S HN -0.671 7.523 8.310 0.019 0.127 0.466 207 V N 2.871 122.650 119.914 -0.225 0.000 2.392 207 V HA -0.429 nan 4.120 nan 0.000 0.249 207 V C 1.687 177.561 176.094 -0.367 0.000 1.059 207 V CA 4.467 66.521 62.300 -0.410 0.000 1.051 207 V CB -0.923 30.575 31.823 -0.541 0.000 0.658 207 V HN -0.239 7.775 8.190 -0.167 0.076 0.455 208 I N -1.225 119.223 120.570 -0.203 0.000 2.286 208 I HA -0.590 nan 4.170 nan 0.000 0.248 208 I C 1.647 177.718 176.117 -0.076 0.000 1.115 208 I CA 4.127 65.354 61.300 -0.122 0.000 1.392 208 I CB -0.148 37.824 38.000 -0.046 0.000 1.065 208 I HN -0.523 7.589 8.210 -0.153 0.007 0.418 209 M N -1.244 118.343 119.600 -0.021 0.000 2.117 209 M HA -0.378 nan 4.480 nan 0.000 0.262 209 M C 2.563 178.876 176.300 0.021 0.000 1.065 209 M CA 4.228 59.583 55.300 0.092 0.000 1.114 209 M CB -0.422 32.327 32.600 0.248 0.000 1.361 209 M HN -0.354 7.830 8.290 -0.022 0.093 0.408 210 G N -1.643 107.023 108.800 -0.222 0.000 2.408 210 G HA2 -0.309 nan 3.960 nan 0.000 0.217 210 G HA3 -0.309 nan 3.960 nan 0.000 0.217 210 G C 0.806 175.473 174.900 -0.388 0.000 1.150 210 G CA 2.106 46.835 45.100 -0.617 0.000 0.776 210 G HN 0.173 8.235 8.290 -0.228 0.092 0.542 211 C N 2.366 121.500 119.300 -0.277 0.000 2.435 211 C HA -0.242 nan 4.460 nan 0.000 0.279 211 C C 1.794 176.724 174.990 -0.100 0.000 1.321 211 C CA 3.509 62.419 59.018 -0.180 0.000 1.752 211 C CB -1.752 25.920 27.740 -0.113 0.000 1.959 211 C HN -0.143 7.835 8.230 -0.288 0.079 0.500 212 K N -0.689 119.675 120.400 -0.060 0.000 2.097 212 K HA -0.261 nan 4.320 nan 0.000 0.205 212 K C 2.747 179.353 176.600 0.010 0.000 1.050 212 K CA 3.302 59.587 56.287 -0.002 0.000 0.938 212 K CB -0.230 32.292 32.500 0.037 0.000 0.718 212 K HN -0.286 7.914 8.250 -0.068 0.010 0.442 213 A N 0.249 123.069 122.820 -0.000 0.000 1.873 213 A HA -0.086 nan 4.320 nan 0.000 0.215 213 A C 1.417 178.988 177.584 -0.022 0.000 1.186 213 A CA 2.543 54.602 52.037 0.035 0.000 0.616 213 A CB -0.528 18.512 19.000 0.067 0.000 0.823 213 A HN -0.420 7.608 8.150 -0.033 0.103 0.442 214 A N -3.957 118.801 122.820 -0.103 0.000 2.264 214 A HA -0.058 nan 4.320 nan 0.000 0.207 214 A C 0.071 177.618 177.584 -0.061 0.000 1.196 214 A CA -0.363 51.610 52.037 -0.107 0.000 0.778 214 A CB -0.496 18.388 19.000 -0.193 0.000 0.779 214 A HN -0.202 7.742 8.150 -0.163 0.108 0.483 215 G N -2.836 105.947 108.800 -0.027 0.000 2.155 215 G HA2 -0.429 nan 3.960 nan 0.000 0.257 215 G HA3 -0.429 nan 3.960 nan 0.000 0.257 215 G C -0.336 174.569 174.900 0.008 0.000 0.983 215 G CA -0.068 45.031 45.100 -0.002 0.000 0.676 215 G HN -0.684 7.378 8.290 -0.022 0.215 0.528 216 A N 0.134 122.954 122.820 -0.000 0.000 2.555 216 A HA -0.042 nan 4.320 nan 0.000 0.233 216 A C -1.041 176.569 177.584 0.044 0.000 1.060 216 A CA 0.959 53.017 52.037 0.036 0.000 0.759 216 A CB 0.109 19.131 19.000 0.038 0.000 0.995 216 A HN -0.362 7.729 8.150 -0.028 0.042 0.506 217 A N 2.901 125.757 122.820 0.060 0.000 1.911 217 A HA 0.097 nan 4.320 nan 0.000 0.212 217 A C 0.309 177.918 177.584 0.042 0.000 1.189 217 A CA 1.032 53.097 52.037 0.047 0.000 0.639 217 A CB 1.020 20.049 19.000 0.048 0.000 0.839 217 A HN 0.663 8.803 8.150 0.083 0.059 0.449 218 R N -2.879 117.653 120.500 0.053 0.000 2.621 218 R HA 0.347 nan 4.340 nan 0.000 0.292 218 R C -2.003 174.327 176.300 0.050 0.000 0.969 218 R CA -1.162 54.962 56.100 0.040 0.000 0.887 218 R CB 3.325 33.645 30.300 0.034 0.000 1.180 218 R HN -0.550 7.764 8.270 0.072 0.000 0.450 219 I N 3.893 124.479 120.570 0.027 0.000 2.521 219 I HA 0.350 nan 4.170 nan 0.000 0.277 219 I C -1.220 174.890 176.117 -0.012 0.000 1.054 219 I CA -0.869 60.446 61.300 0.024 0.000 1.117 219 I CB 1.430 39.437 38.000 0.012 0.000 1.217 219 I HN 0.350 8.568 8.210 0.013 0.000 0.469 220 I N 7.313 127.872 120.570 -0.019 0.000 2.301 220 I HA 0.271 nan 4.170 nan 0.000 0.292 220 I C -0.454 175.589 176.117 -0.124 0.000 1.046 220 I CA -0.812 60.438 61.300 -0.083 0.000 1.282 220 I CB -0.177 37.770 38.000 -0.089 0.000 1.409 220 I HN 0.482 8.702 8.210 0.017 0.000 0.484 221 G N 7.337 116.033 108.800 -0.173 0.000 2.372 221 G HA2 0.458 nan 3.960 nan 0.000 0.283 221 G HA3 0.458 nan 3.960 nan 0.000 0.283 221 G C -2.293 172.429 174.900 -0.297 0.000 1.177 221 G CA -1.049 43.938 45.100 -0.189 0.000 0.842 221 G HN 0.395 8.573 8.290 -0.187 0.000 0.503 222 V N 3.692 123.445 119.914 -0.268 0.000 2.531 222 V HA 0.754 nan 4.120 nan 0.000 0.301 222 V C -2.003 174.058 176.094 -0.055 0.000 1.034 222 V CA -1.388 60.729 62.300 -0.305 0.000 0.865 222 V CB 1.819 33.189 31.823 -0.755 0.000 0.995 222 V HN 0.446 8.520 8.190 -0.192 0.000 0.424 223 D N 6.651 127.130 120.400 0.133 0.000 2.706 223 D HA 0.255 nan 4.640 nan 0.000 0.227 223 D C -1.284 175.178 176.300 0.270 0.000 1.233 223 D CA -0.360 53.783 54.000 0.239 0.000 0.768 223 D CB 4.485 45.475 40.800 0.316 0.000 1.490 223 D HN -0.291 8.172 8.370 0.154 0.000 0.458 224 I N -4.385 116.283 120.570 0.163 0.000 3.749 224 I HA 0.092 nan 4.170 nan 0.000 0.314 224 I C -1.113 175.021 176.117 0.030 0.000 1.267 224 I CA -0.004 61.362 61.300 0.110 0.000 1.169 224 I CB -0.405 37.650 38.000 0.091 0.000 1.009 224 I HN 0.157 8.455 8.210 0.146 0.000 0.444 225 N N 1.138 119.832 118.700 -0.010 0.000 2.776 225 N HA 0.176 nan 4.740 nan 0.000 0.245 225 N C 0.235 175.500 175.510 -0.408 0.000 1.121 225 N CA -0.828 52.149 53.050 -0.123 0.000 0.852 225 N CB 0.998 39.458 38.487 -0.045 0.000 1.142 225 N HN -0.526 7.954 8.380 0.069 -0.058 0.514 226 K N 5.164 125.202 120.400 -0.603 0.000 2.189 226 K HA -0.448 nan 4.320 nan 0.000 0.207 226 K C 0.635 176.725 176.600 -0.849 0.000 1.046 226 K CA 3.632 59.230 56.287 -1.148 0.000 0.928 226 K CB -0.063 32.112 32.500 -0.541 0.000 0.720 226 K HN 0.397 8.430 8.250 -0.361 0.000 0.458 227 D N -2.189 117.974 120.400 -0.395 0.000 2.218 227 D HA -0.192 nan 4.640 nan 0.000 0.204 227 D C 1.961 178.191 176.300 -0.116 0.000 0.976 227 D CA 2.758 56.640 54.000 -0.197 0.000 0.853 227 D CB -0.906 39.831 40.800 -0.105 0.000 0.939 227 D HN 0.033 8.183 8.370 -0.320 0.028 0.481 228 K N -0.561 119.769 120.400 -0.117 0.000 2.288 228 K HA -0.133 nan 4.320 nan 0.000 0.201 228 K C 2.098 178.847 176.600 0.249 0.000 1.048 228 K CA 1.597 57.931 56.287 0.079 0.000 0.956 228 K CB -0.448 32.136 32.500 0.139 0.000 0.746 228 K HN 0.092 8.051 8.250 -0.238 0.148 0.461 229 F N -1.741 118.221 119.950 0.020 0.000 2.192 229 F HA -0.325 nan 4.527 nan 0.000 0.301 229 F C 1.620 177.432 175.800 0.020 0.000 1.079 229 F CA 0.793 58.804 58.000 0.018 0.000 1.303 229 F CB -1.810 37.200 39.000 0.016 0.000 1.024 229 F HN -0.374 7.735 8.300 -0.070 0.148 0.494 230 A N -0.820 122.115 122.820 0.191 0.000 1.845 230 A HA -0.363 nan 4.320 nan 0.000 0.215 230 A C 2.094 179.737 177.584 0.098 0.000 1.195 230 A CA 3.425 55.531 52.037 0.116 0.000 0.616 230 A CB -0.833 18.212 19.000 0.075 0.000 0.832 230 A HN -0.406 7.808 8.150 0.158 0.031 0.443 231 K N -0.871 119.586 120.400 0.095 0.000 2.063 231 K HA -0.331 nan 4.320 nan 0.000 0.208 231 K C 2.250 178.901 176.600 0.086 0.000 1.048 231 K CA 2.387 58.724 56.287 0.084 0.000 0.928 231 K CB -0.583 31.967 32.500 0.084 0.000 0.713 231 K HN -0.275 8.032 8.250 0.096 0.000 0.442 232 A N -1.140 121.741 122.820 0.102 0.000 1.873 232 A HA -0.344 nan 4.320 nan 0.000 0.218 232 A C 2.359 179.974 177.584 0.051 0.000 1.193 232 A CA 3.410 55.492 52.037 0.075 0.000 0.629 232 A CB -0.856 18.191 19.000 0.078 0.000 0.826 232 A HN -0.327 7.902 8.150 0.132 0.000 0.447 233 K N -2.202 118.232 120.400 0.056 0.000 2.097 233 K HA -0.322 nan 4.320 nan 0.000 0.206 233 K C 3.188 179.816 176.600 0.046 0.000 1.049 233 K CA 3.331 59.642 56.287 0.040 0.000 0.933 233 K CB -0.114 32.413 32.500 0.046 0.000 0.717 233 K HN -0.239 8.060 8.250 0.081 0.000 0.442 234 E N -0.274 119.959 120.200 0.056 0.000 2.153 234 E HA -0.246 nan 4.350 nan 0.000 0.194 234 E C 1.882 178.519 176.600 0.061 0.000 0.988 234 E CA 2.691 59.124 56.400 0.055 0.000 0.811 234 E CB 0.173 29.907 29.700 0.057 0.000 0.746 234 E HN 0.053 8.251 8.360 0.064 0.201 0.466 235 V N -9.524 110.430 119.914 0.066 0.000 3.514 235 V HA 0.338 nan 4.120 nan 0.000 0.301 235 V C -0.117 176.016 176.094 0.064 0.000 1.346 235 V CA -1.748 60.598 62.300 0.077 0.000 1.156 235 V CB -1.550 30.330 31.823 0.094 0.000 1.029 235 V HN -0.159 7.962 8.190 0.064 0.108 0.428 236 G N -1.348 107.480 108.800 0.047 0.000 2.705 236 G HA2 -0.179 nan 3.960 nan 0.000 0.193 236 G HA3 -0.179 nan 3.960 nan 0.000 0.193 236 G C -0.614 174.296 174.900 0.018 0.000 1.015 236 G CA -0.240 44.881 45.100 0.034 0.000 0.743 236 G HN -0.540 7.611 8.290 0.045 0.167 0.476 237 A N 2.157 124.983 122.820 0.009 0.000 2.567 237 A HA -0.020 nan 4.320 nan 0.000 0.240 237 A C 0.772 178.350 177.584 -0.010 0.000 1.053 237 A CA 1.082 53.112 52.037 -0.011 0.000 0.755 237 A CB 0.212 19.193 19.000 -0.032 0.000 0.978 237 A HN -0.413 7.747 8.150 0.017 0.000 0.507 238 T N -1.788 112.757 114.554 -0.015 0.000 3.067 238 T HA -0.037 nan 4.350 nan 0.000 0.261 238 T C 0.401 175.085 174.700 -0.026 0.000 1.110 238 T CA 0.761 62.855 62.100 -0.010 0.000 1.113 238 T CB 0.569 69.436 68.868 -0.001 0.000 0.917 238 T HN 0.243 8.367 8.240 -0.016 0.106 0.499 239 E N -2.267 117.898 120.200 -0.057 0.000 2.389 239 E HA 0.100 nan 4.350 nan 0.000 0.281 239 E C -3.107 173.382 176.600 -0.184 0.000 1.072 239 E CA -0.705 55.640 56.400 -0.092 0.000 0.845 239 E CB 1.944 31.603 29.700 -0.068 0.000 1.239 239 E HN -0.667 7.615 8.360 -0.064 0.039 0.434 240 C N -0.087 119.030 119.300 -0.305 0.000 2.634 240 C HA 0.932 nan 4.460 nan 0.000 0.313 240 C C -0.741 173.887 174.990 -0.605 0.000 1.198 240 C CA -1.480 57.160 59.018 -0.629 0.000 1.605 240 C CB 1.743 28.795 27.740 -1.147 0.000 2.196 240 C HN 0.221 8.306 8.230 -0.242 0.000 0.486 241 V N 2.359 121.949 119.914 -0.540 0.000 2.709 241 V HA 0.251 nan 4.120 nan 0.000 0.308 241 V C -2.427 173.674 176.094 0.013 0.000 1.062 241 V CA -0.952 61.249 62.300 -0.164 0.000 0.901 241 V CB 3.754 35.509 31.823 -0.114 0.000 1.003 241 V HN 0.960 8.800 8.190 -0.583 0.000 0.425 242 N N 5.627 124.515 118.700 0.313 0.000 2.444 242 N HA 0.488 nan 4.740 nan 0.000 0.262 242 N C -0.923 174.793 175.510 0.343 0.000 0.974 242 N CA -3.569 49.711 53.050 0.384 0.000 0.933 242 N CB 2.223 40.942 38.487 0.385 0.000 1.137 242 N HN 0.291 8.881 8.380 0.349 0.000 0.498 243 P HA -0.279 nan 4.420 nan 0.000 0.217 243 P C 0.928 178.394 177.300 0.277 0.000 1.151 243 P CA 2.542 65.779 63.100 0.228 0.000 0.849 243 P CB 0.192 31.977 31.700 0.141 0.000 0.787 244 Q N -3.556 116.357 119.800 0.189 0.000 2.437 244 Q HA -0.258 nan 4.340 nan 0.000 0.210 244 Q C 0.767 176.813 176.000 0.078 0.000 0.972 244 Q CA 2.271 58.148 55.803 0.123 0.000 0.903 244 Q CB -0.929 27.858 28.738 0.081 0.000 0.967 244 Q HN 0.249 8.608 8.270 0.174 0.015 0.486 245 D N -2.036 118.396 120.400 0.054 0.000 2.363 245 D HA -0.051 nan 4.640 nan 0.000 0.220 245 D C -0.283 175.805 176.300 -0.353 0.000 0.994 245 D CA 1.550 55.438 54.000 -0.186 0.000 0.890 245 D CB 0.367 40.953 40.800 -0.358 0.000 0.906 245 D HN -0.344 7.961 8.370 0.166 0.164 0.530 246 Y N -1.466 118.851 120.300 0.029 0.000 2.446 246 Y HA 0.137 nan 4.550 nan 0.000 0.338 246 Y C 0.621 176.533 175.900 0.020 0.000 1.055 246 Y CA -0.712 57.401 58.100 0.022 0.000 1.101 246 Y CB 1.915 40.387 38.460 0.019 0.000 1.221 246 Y HN -0.402 7.854 8.280 0.254 0.176 0.460 247 K N 1.771 122.274 120.400 0.173 0.000 2.374 247 K HA -0.049 nan 4.320 nan 0.000 0.196 247 K C -1.139 175.519 176.600 0.096 0.000 1.023 247 K CA 0.324 56.672 56.287 0.102 0.000 1.103 247 K CB 0.299 32.836 32.500 0.061 0.000 0.848 247 K HN 0.619 8.983 8.250 0.191 0.000 0.528 248 K N -2.654 117.819 120.400 0.122 0.000 2.443 248 K HA 0.492 nan 4.320 nan 0.000 0.251 248 K C -2.858 173.769 176.600 0.045 0.000 0.972 248 K CA -3.021 53.306 56.287 0.066 0.000 0.833 248 K CB 0.445 32.973 32.500 0.047 0.000 1.317 248 K HN -0.628 7.675 8.250 0.194 0.063 0.441 249 P HA 0.038 nan 4.420 nan 0.000 0.266 249 P C -0.539 176.740 177.300 -0.034 0.000 1.195 249 P CA -0.217 62.886 63.100 0.006 0.000 0.768 249 P CB 0.520 32.221 31.700 0.001 0.000 0.838 250 I N 2.480 123.035 120.570 -0.024 0.000 2.530 250 I HA -0.527 nan 4.170 nan 0.000 0.257 250 I C 1.168 177.259 176.117 -0.044 0.000 1.179 250 I CA 2.308 63.561 61.300 -0.077 0.000 1.440 250 I CB -0.154 37.843 38.000 -0.006 0.000 1.087 250 I HN 0.363 8.585 8.210 0.020 0.000 0.440 251 Q N -1.165 118.635 119.800 0.000 0.000 2.016 251 Q HA -0.309 nan 4.340 nan 0.000 0.200 251 Q C 2.336 178.307 176.000 -0.048 0.000 0.978 251 Q CA 3.983 59.782 55.803 -0.006 0.000 0.833 251 Q CB -1.075 27.645 28.738 -0.029 0.000 0.895 251 Q HN 0.506 8.740 8.270 0.006 0.039 0.427 252 E N -0.119 120.047 120.200 -0.056 0.000 2.085 252 E HA -0.362 nan 4.350 nan 0.000 0.194 252 E C 2.536 179.084 176.600 -0.086 0.000 0.994 252 E CA 2.970 59.334 56.400 -0.061 0.000 0.801 252 E CB -0.468 29.206 29.700 -0.044 0.000 0.743 252 E HN -0.484 7.849 8.360 -0.046 0.000 0.453 253 V N 0.219 120.048 119.914 -0.142 0.000 2.295 253 V HA -0.352 nan 4.120 nan 0.000 0.246 253 V C 2.052 178.046 176.094 -0.167 0.000 1.049 253 V CA 4.421 66.587 62.300 -0.223 0.000 1.024 253 V CB -0.863 30.638 31.823 -0.536 0.000 0.648 253 V HN -0.333 7.700 8.190 -0.145 0.070 0.447 254 L N -2.164 118.974 121.223 -0.142 0.000 2.046 254 L HA -0.488 nan 4.340 nan 0.000 0.208 254 L C 2.310 179.141 176.870 -0.065 0.000 1.077 254 L CA 3.593 58.377 54.840 -0.094 0.000 0.747 254 L CB -0.581 41.451 42.059 -0.045 0.000 0.896 254 L HN 0.209 8.181 8.230 -0.139 0.175 0.432 255 T N 1.489 116.005 114.554 -0.063 0.000 2.674 255 T HA -0.380 nan 4.350 nan 0.000 0.265 255 T C 2.451 177.118 174.700 -0.054 0.000 1.039 255 T CA 4.980 67.042 62.100 -0.063 0.000 1.150 255 T CB -0.802 68.026 68.868 -0.067 0.000 0.864 255 T HN 0.512 8.713 8.240 -0.065 0.000 0.427 256 E N 1.950 122.118 120.200 -0.052 0.000 2.058 256 E HA -0.358 nan 4.350 nan 0.000 0.194 256 E C 2.682 179.262 176.600 -0.033 0.000 0.997 256 E CA 2.968 59.345 56.400 -0.039 0.000 0.801 256 E CB -0.312 29.369 29.700 -0.033 0.000 0.746 256 E HN -0.288 8.036 8.360 -0.060 0.000 0.450 257 M N -0.868 118.707 119.600 -0.043 0.000 2.080 257 M HA -0.352 nan 4.480 nan 0.000 0.260 257 M C 1.944 178.230 176.300 -0.024 0.000 1.068 257 M CA 3.908 59.188 55.300 -0.033 0.000 1.109 257 M CB 0.331 32.901 32.600 -0.051 0.000 1.342 257 M HN 0.149 8.403 8.290 -0.060 0.000 0.405 258 S N -4.594 111.088 115.700 -0.030 0.000 2.660 258 S HA -0.010 nan 4.470 nan 0.000 0.227 258 S C -0.082 174.505 174.600 -0.022 0.000 0.948 258 S CA -0.203 57.984 58.200 -0.021 0.000 0.948 258 S CB -0.541 62.645 63.200 -0.024 0.000 0.779 258 S HN -0.381 7.821 8.310 -0.040 0.084 0.487 259 N N 1.671 120.358 118.700 -0.023 0.000 2.678 259 N HA -0.401 nan 4.740 nan 0.000 0.268 259 N C -0.033 175.458 175.510 -0.032 0.000 1.010 259 N CA 0.907 53.944 53.050 -0.022 0.000 0.784 259 N CB -0.930 37.551 38.487 -0.010 0.000 0.905 259 N HN -0.156 8.002 8.380 -0.023 0.208 0.552 260 G N -2.531 106.239 108.800 -0.050 0.000 2.336 260 G HA2 -0.273 nan 3.960 nan 0.000 0.194 260 G HA3 -0.273 nan 3.960 nan 0.000 0.194 260 G C -2.102 172.734 174.900 -0.107 0.000 0.999 260 G CA -0.169 44.887 45.100 -0.073 0.000 0.669 260 G HN 0.499 8.643 8.290 -0.049 0.116 0.482 261 G N -2.891 105.851 108.800 -0.096 0.000 2.335 261 G HA2 -0.176 nan 3.960 nan 0.000 0.592 261 G HA3 -0.176 nan 3.960 nan 0.000 0.592 261 G C -1.848 172.987 174.900 -0.108 0.000 1.442 261 G CA -0.450 44.579 45.100 -0.118 0.000 0.976 261 G HN -0.881 7.366 8.290 -0.071 0.000 0.652 262 V N -0.419 119.438 119.914 -0.095 0.000 2.834 262 V HA 0.182 nan 4.120 nan 0.000 0.301 262 V C 0.739 176.745 176.094 -0.147 0.000 1.066 262 V CA -0.038 62.221 62.300 -0.068 0.000 1.052 262 V CB 1.032 32.850 31.823 -0.009 0.000 1.021 262 V HN 0.292 8.320 8.190 -0.092 0.107 0.480 263 D N 4.748 125.062 120.400 -0.143 0.000 2.091 263 D HA -0.030 nan 4.640 nan 0.000 0.199 263 D C 0.100 175.944 176.300 -0.759 0.000 0.980 263 D CA 4.079 57.828 54.000 -0.419 0.000 0.831 263 D CB 1.101 41.659 40.800 -0.403 0.000 0.987 263 D HN 0.036 8.385 8.370 -0.036 0.000 0.460 264 F N -3.969 115.958 119.950 -0.037 0.000 2.539 264 F HA 0.529 nan 4.527 nan 0.000 0.318 264 F C -1.833 173.834 175.800 -0.221 0.000 1.135 264 F CA -1.783 56.110 58.000 -0.179 0.000 0.915 264 F CB 3.290 42.204 39.000 -0.144 0.000 1.176 264 F HN -0.513 7.837 8.300 0.082 0.000 0.440 265 S N 0.882 116.442 115.700 -0.233 0.000 2.536 265 S HA 0.885 nan 4.470 nan 0.000 0.298 265 S C -1.412 172.990 174.600 -0.330 0.000 1.083 265 S CA -1.824 56.320 58.200 -0.093 0.000 0.995 265 S CB 2.427 65.623 63.200 -0.007 0.000 1.058 265 S HN 0.637 8.767 8.310 -0.301 0.000 0.488 266 F N -0.248 119.813 119.950 0.185 0.000 2.547 266 F HA 0.524 nan 4.527 nan 0.000 0.316 266 F C -1.725 174.163 175.800 0.146 0.000 1.121 266 F CA -1.230 56.852 58.000 0.135 0.000 0.911 266 F CB 3.719 42.781 39.000 0.103 0.000 1.179 266 F HN 0.680 9.293 8.300 0.522 0.000 0.443 267 E N 3.348 123.692 120.200 0.239 0.000 2.081 267 E HA 0.495 nan 4.350 nan 0.000 0.276 267 E C -1.827 174.881 176.600 0.179 0.000 0.950 267 E CA -0.761 55.730 56.400 0.152 0.000 0.776 267 E CB 1.867 31.601 29.700 0.057 0.000 1.094 267 E HN 0.403 8.895 8.360 0.221 0.000 0.402 268 V N 7.877 127.912 119.914 0.201 0.000 2.666 268 V HA 0.479 nan 4.120 nan 0.000 0.306 268 V C -2.136 174.049 176.094 0.153 0.000 1.156 268 V CA -1.414 60.981 62.300 0.157 0.000 1.274 268 V CB -1.051 30.851 31.823 0.131 0.000 1.536 268 V HN 0.590 8.932 8.190 0.254 0.000 0.640 269 I N 1.425 122.085 120.570 0.150 0.000 3.664 269 I HA 0.347 nan 4.170 nan 0.000 0.251 269 I C -0.300 175.903 176.117 0.144 0.000 1.134 269 I CA 0.107 61.497 61.300 0.151 0.000 1.520 269 I CB 3.096 41.189 38.000 0.155 0.000 1.638 269 I HN -0.061 8.540 8.210 0.138 -0.308 0.431 270 G N -1.194 107.668 108.800 0.103 0.000 2.247 270 G HA2 -0.196 nan 3.960 nan 0.000 0.111 270 G HA3 -0.196 nan 3.960 nan 0.000 0.111 270 G C -1.517 173.402 174.900 0.033 0.000 1.045 270 G CA -0.524 44.610 45.100 0.057 0.000 0.715 270 G HN -0.127 8.656 8.290 0.097 -0.435 0.485 271 R N -2.146 118.380 120.500 0.044 0.000 2.673 271 R HA 0.477 nan 4.340 nan 0.000 0.281 271 R C -0.634 175.685 176.300 0.031 0.000 0.991 271 R CA -1.723 54.399 56.100 0.036 0.000 0.896 271 R CB 2.618 32.950 30.300 0.054 0.000 1.201 271 R HN -0.288 8.327 8.270 0.054 -0.313 0.457 272 L N 2.114 123.352 121.223 0.025 0.000 2.089 272 L HA -0.404 nan 4.340 nan 0.000 0.213 272 L C 1.444 178.335 176.870 0.034 0.000 1.079 272 L CA 3.048 57.907 54.840 0.032 0.000 0.758 272 L CB -1.291 40.783 42.059 0.026 0.000 0.891 272 L HN 0.795 9.037 8.230 0.019 0.000 0.433 273 D N -4.991 115.424 120.400 0.025 0.000 2.123 273 D HA -0.234 nan 4.640 nan 0.000 0.200 273 D C 2.015 178.306 176.300 -0.015 0.000 0.976 273 D CA 3.173 57.181 54.000 0.013 0.000 0.831 273 D CB -1.089 39.726 40.800 0.025 0.000 0.974 273 D HN 0.409 8.775 8.370 0.029 0.022 0.469 274 T N 1.382 115.928 114.554 -0.013 0.000 2.951 274 T HA -0.100 nan 4.350 nan 0.000 0.268 274 T C 2.325 176.901 174.700 -0.207 0.000 1.073 274 T CA 3.307 65.348 62.100 -0.098 0.000 1.134 274 T CB -0.611 68.255 68.868 -0.002 0.000 0.884 274 T HN -0.651 7.600 8.240 0.018 0.000 0.479 275 M N 1.330 120.898 119.600 -0.053 0.000 2.086 275 M HA -0.378 nan 4.480 nan 0.000 0.261 275 M C 1.777 178.081 176.300 0.007 0.000 1.067 275 M CA 4.673 60.005 55.300 0.055 0.000 1.116 275 M CB -0.072 32.638 32.600 0.182 0.000 1.348 275 M HN -0.512 7.751 8.290 -0.004 0.024 0.407 276 V N -1.805 118.083 119.914 -0.043 0.000 2.453 276 V HA -0.410 nan 4.120 nan 0.000 0.247 276 V C 1.898 177.836 176.094 -0.259 0.000 1.048 276 V CA 4.600 66.790 62.300 -0.183 0.000 1.049 276 V CB -1.264 30.496 31.823 -0.105 0.000 0.672 276 V HN -0.486 7.704 8.190 0.001 0.000 0.457 277 T N 1.331 115.750 114.554 -0.226 0.000 2.788 277 T HA -0.305 nan 4.350 nan 0.000 0.268 277 T C 1.589 176.073 174.700 -0.360 0.000 1.044 277 T CA 4.904 66.868 62.100 -0.227 0.000 1.139 277 T CB -0.663 68.115 68.868 -0.151 0.000 0.867 277 T HN -0.185 7.948 8.240 -0.177 0.000 0.454 278 A N 1.252 123.705 122.820 -0.611 0.000 1.930 278 A HA -0.163 nan 4.320 nan 0.000 0.217 278 A C 1.699 179.062 177.584 -0.369 0.000 1.175 278 A CA 2.915 54.555 52.037 -0.661 0.000 0.627 278 A CB -1.008 17.576 19.000 -0.695 0.000 0.815 278 A HN -0.063 7.627 8.150 -0.576 0.114 0.443 279 L N -1.085 119.872 121.223 -0.443 0.000 1.976 279 L HA -0.401 nan 4.340 nan 0.000 0.209 279 L C 2.127 178.758 176.870 -0.398 0.000 1.071 279 L CA 3.102 57.596 54.840 -0.577 0.000 0.746 279 L CB -0.147 41.294 42.059 -1.031 0.000 0.890 279 L HN -0.393 7.488 8.230 -0.442 0.084 0.432 280 S N -1.084 114.412 115.700 -0.340 0.000 2.419 280 S HA -0.370 nan 4.470 nan 0.000 0.235 280 S C 1.899 176.392 174.600 -0.177 0.000 1.019 280 S CA 3.320 61.376 58.200 -0.240 0.000 0.982 280 S CB -0.423 62.662 63.200 -0.191 0.000 0.789 280 S HN 0.164 8.258 8.310 -0.360 0.000 0.490 281 C N -3.290 115.925 119.300 -0.141 0.000 2.491 281 C HA 0.132 nan 4.460 nan 0.000 0.277 281 C C 0.358 175.290 174.990 -0.097 0.000 1.455 281 C CA -1.500 57.476 59.018 -0.070 0.000 1.758 281 C CB -1.851 25.924 27.740 0.059 0.000 1.745 281 C HN -0.566 7.438 8.230 -0.169 0.125 0.558 282 C N -1.385 117.821 119.300 -0.157 0.000 2.364 282 C HA 0.369 nan 4.460 nan 0.000 0.356 282 C C -0.683 174.155 174.990 -0.253 0.000 1.201 282 C CA -3.507 55.396 59.018 -0.192 0.000 2.227 282 C CB 1.733 29.344 27.740 -0.214 0.000 2.387 282 C HN -0.100 7.962 8.230 -0.191 0.053 0.546 283 Q N 2.181 121.787 119.800 -0.323 0.000 2.339 283 Q HA -0.352 nan 4.340 nan 0.000 0.308 283 Q C 0.985 176.711 176.000 -0.456 0.000 1.097 283 Q CA 0.958 56.486 55.803 -0.459 0.000 1.007 283 Q CB -0.287 27.988 28.738 -0.772 0.000 1.051 283 Q HN 0.576 8.548 8.270 -0.304 0.116 0.381 284 E N 7.789 127.788 120.200 -0.335 0.000 2.208 284 E HA -0.435 nan 4.350 nan 0.000 0.202 284 E C -0.125 176.333 176.600 -0.236 0.000 1.014 284 E CA 2.986 59.236 56.400 -0.250 0.000 0.819 284 E CB 0.039 29.624 29.700 -0.191 0.000 0.735 284 E HN 0.830 9.013 8.360 -0.294 0.000 0.469 285 A N -5.106 117.522 122.820 -0.319 0.000 2.252 285 A HA 0.011 nan 4.320 nan 0.000 0.213 285 A C -0.018 177.516 177.584 -0.083 0.000 1.188 285 A CA 0.860 52.787 52.037 -0.183 0.000 0.863 285 A CB 1.291 20.239 19.000 -0.087 0.000 0.893 285 A HN 0.104 8.336 8.150 -0.453 -0.354 0.495 286 Y N -8.354 111.879 120.300 -0.110 0.000 3.091 286 Y HA 0.210 nan 4.550 nan 0.000 0.284 286 Y C -0.597 175.190 175.900 -0.189 0.000 1.048 286 Y CA -1.719 56.308 58.100 -0.122 0.000 1.290 286 Y CB -0.528 37.868 38.460 -0.106 0.000 1.331 286 Y HN -0.587 7.385 8.280 -0.671 -0.095 0.597 287 G N 1.142 109.780 108.800 -0.269 0.000 2.444 287 G HA2 0.151 nan 3.960 nan 0.000 0.268 287 G HA3 0.151 nan 3.960 nan 0.000 0.268 287 G C -2.309 172.470 174.900 -0.202 0.000 1.203 287 G CA -0.511 44.418 45.100 -0.285 0.000 0.835 287 G HN -0.218 7.859 8.290 -0.355 0.000 0.543 288 V N 2.016 121.792 119.914 -0.229 0.000 2.417 288 V HA 0.595 nan 4.120 nan 0.000 0.291 288 V C -1.552 174.468 176.094 -0.124 0.000 1.024 288 V CA -1.592 60.651 62.300 -0.094 0.000 0.861 288 V CB 1.652 33.508 31.823 0.054 0.000 0.985 288 V HN 0.511 8.472 8.190 -0.382 0.000 0.436 289 S N 5.480 121.142 115.700 -0.063 0.000 2.519 289 S HA 0.719 nan 4.470 nan 0.000 0.309 289 S C -2.168 172.491 174.600 0.097 0.000 1.100 289 S CA -1.705 56.460 58.200 -0.060 0.000 1.059 289 S CB 2.186 65.317 63.200 -0.116 0.000 1.008 289 S HN 0.696 9.013 8.310 0.012 0.000 0.478 290 V N 8.032 127.923 119.914 -0.039 0.000 2.409 290 V HA 0.545 nan 4.120 nan 0.000 0.291 290 V C -0.862 175.299 176.094 0.111 0.000 1.020 290 V CA -1.462 60.866 62.300 0.047 0.000 0.848 290 V CB 1.702 33.559 31.823 0.057 0.000 0.990 290 V HN 0.709 8.767 8.190 -0.219 0.000 0.430 291 I N 7.870 128.468 120.570 0.047 0.000 2.363 291 I HA 0.054 nan 4.170 nan 0.000 0.292 291 I C -0.357 175.772 176.117 0.020 0.000 1.075 291 I CA 0.906 62.219 61.300 0.021 0.000 1.333 291 I CB -0.684 37.238 38.000 -0.129 0.000 1.415 291 I HN 0.680 8.762 8.210 -0.032 0.108 0.502 292 V N 7.301 127.261 119.914 0.077 0.000 3.263 292 V HA 0.127 nan 4.120 nan 0.000 0.248 292 V C 0.259 176.389 176.094 0.060 0.000 1.145 292 V CA 0.192 62.533 62.300 0.069 0.000 1.107 292 V CB 0.237 32.121 31.823 0.102 0.000 0.797 292 V HN 0.542 8.701 8.190 0.112 0.098 0.467 293 G N -1.252 107.589 108.800 0.068 0.000 2.507 293 G HA2 0.036 nan 3.960 nan 0.000 0.271 293 G HA3 0.036 nan 3.960 nan 0.000 0.271 293 G C -1.120 173.795 174.900 0.025 0.000 1.189 293 G CA -1.175 43.970 45.100 0.074 0.000 0.859 293 G HN -0.518 7.924 8.290 0.075 -0.107 0.542 294 V N 3.237 123.164 119.914 0.023 0.000 2.353 294 V HA 0.123 nan 4.120 nan 0.000 0.264 294 V C -0.997 174.989 176.094 -0.180 0.000 1.049 294 V CA -2.930 59.326 62.300 -0.074 0.000 0.896 294 V CB -0.339 31.450 31.823 -0.057 0.000 1.025 294 V HN 0.313 8.561 8.190 0.096 0.000 0.475 295 P HA 0.338 nan 4.420 nan 0.000 0.274 295 P C -2.489 174.726 177.300 -0.142 0.000 1.246 295 P CA -2.186 60.845 63.100 -0.115 0.000 0.795 295 P CB -0.194 31.462 31.700 -0.074 0.000 1.006 296 P HA -0.066 nan 4.420 nan 0.000 0.267 296 P C 0.014 177.285 177.300 -0.049 0.000 1.209 296 P CA -0.408 62.648 63.100 -0.074 0.000 0.763 296 P CB 0.653 32.332 31.700 -0.035 0.000 0.816 297 D N 6.942 127.319 120.400 -0.038 0.000 2.070 297 D HA -0.447 nan 4.640 nan 0.000 0.578 297 D C 0.098 176.387 176.300 -0.019 0.000 0.816 297 D CA 2.382 56.370 54.000 -0.020 0.000 1.627 297 D CB -0.061 40.736 40.800 -0.004 0.000 0.753 297 D HN 0.780 9.011 8.370 -0.041 0.114 0.354 298 S N 0.353 116.046 115.700 -0.012 0.000 2.489 298 S HA 0.226 nan 4.470 nan 0.000 0.237 298 S C -1.074 173.520 174.600 -0.011 0.000 1.220 298 S CA -0.251 57.943 58.200 -0.011 0.000 1.231 298 S CB -0.657 62.540 63.200 -0.004 0.000 0.900 298 S HN 0.248 8.553 8.310 -0.008 0.000 0.492 299 Q N 1.255 121.045 119.800 -0.015 0.000 2.293 299 Q HA 0.144 nan 4.340 nan 0.000 0.261 299 Q C -1.027 174.965 176.000 -0.013 0.000 0.960 299 Q CA -0.397 55.399 55.803 -0.011 0.000 0.882 299 Q CB 1.846 30.579 28.738 -0.009 0.000 1.275 299 Q HN -0.501 7.701 8.270 -0.022 0.055 0.445 300 N N 2.803 121.500 118.700 -0.006 0.000 2.495 300 N HA 0.237 nan 4.740 nan 0.000 0.280 300 N C -1.289 174.226 175.510 0.009 0.000 1.168 300 N CA -0.330 52.718 53.050 -0.003 0.000 0.978 300 N CB 1.492 39.979 38.487 -0.000 0.000 1.191 300 N HN 0.261 8.639 8.380 -0.003 0.000 0.497 301 L N -2.031 119.204 121.223 0.020 0.000 2.342 301 L HA 0.407 nan 4.340 nan 0.000 0.271 301 L C -0.316 176.584 176.870 0.050 0.000 1.008 301 L CA -0.896 53.970 54.840 0.043 0.000 0.818 301 L CB 1.570 43.675 42.059 0.077 0.000 1.296 301 L HN 0.089 8.328 8.230 0.016 0.000 0.427 302 S N 3.277 119.002 115.700 0.041 0.000 2.525 302 S HA 0.318 nan 4.470 nan 0.000 0.290 302 S C -1.101 173.520 174.600 0.034 0.000 1.152 302 S CA 0.025 58.244 58.200 0.032 0.000 1.072 302 S CB 0.603 63.812 63.200 0.016 0.000 1.027 302 S HN 0.114 8.445 8.310 0.036 0.000 0.500 303 M N 0.578 120.196 119.600 0.029 0.000 2.682 303 M HA 0.152 nan 4.480 nan 0.000 0.272 303 M C -2.271 174.022 176.300 -0.011 0.000 1.232 303 M CA 0.152 55.452 55.300 0.000 0.000 0.849 303 M CB 2.436 35.045 32.600 0.016 0.000 1.695 303 M HN -0.162 8.147 8.290 0.032 0.000 0.481 304 N N 1.494 120.167 118.700 -0.045 0.000 2.426 304 N HA 0.368 nan 4.740 nan 0.000 0.257 304 N C 0.004 175.486 175.510 -0.047 0.000 1.002 304 N CA -2.861 50.165 53.050 -0.041 0.000 0.942 304 N CB 1.467 39.923 38.487 -0.051 0.000 1.112 304 N HN 0.041 8.377 8.380 -0.073 0.000 0.499 305 P HA -0.181 nan 4.420 nan 0.000 0.221 305 P C 0.897 178.177 177.300 -0.034 0.000 1.145 305 P CA 1.931 65.022 63.100 -0.015 0.000 0.795 305 P CB 0.329 32.029 31.700 0.000 0.000 0.775 306 M N -3.081 116.493 119.600 -0.044 0.000 2.549 306 M HA -0.139 nan 4.480 nan 0.000 0.260 306 M C 1.818 178.073 176.300 -0.074 0.000 1.076 306 M CA 1.285 56.555 55.300 -0.050 0.000 1.090 306 M CB -1.257 31.315 32.600 -0.047 0.000 1.418 306 M HN -0.053 8.172 8.290 -0.041 0.041 0.486 307 L N -1.412 119.753 121.223 -0.098 0.000 2.093 307 L HA -0.324 nan 4.340 nan 0.000 0.208 307 L C 2.433 179.223 176.870 -0.135 0.000 1.085 307 L CA 2.791 57.545 54.840 -0.143 0.000 0.755 307 L CB -0.433 41.502 42.059 -0.206 0.000 0.904 307 L HN -0.163 7.853 8.230 -0.092 0.159 0.435 308 L N -1.163 120.003 121.223 -0.095 0.000 2.084 308 L HA -0.172 nan 4.340 nan 0.000 0.202 308 L C 2.230 179.074 176.870 -0.044 0.000 1.074 308 L CA 1.778 56.583 54.840 -0.058 0.000 0.757 308 L CB -1.210 40.845 42.059 -0.007 0.000 0.918 308 L HN -0.507 7.557 8.230 -0.080 0.119 0.444 309 L N -0.607 120.594 121.223 -0.035 0.000 2.151 309 L HA -0.467 nan 4.340 nan 0.000 0.215 309 L C 1.872 178.721 176.870 -0.034 0.000 1.084 309 L CA 3.117 57.940 54.840 -0.028 0.000 0.764 309 L CB -0.236 41.808 42.059 -0.026 0.000 0.891 309 L HN -0.193 8.017 8.230 -0.034 0.000 0.435 310 S N -2.550 113.119 115.700 -0.052 0.000 2.402 310 S HA -0.146 nan 4.470 nan 0.000 0.229 310 S C 1.240 175.809 174.600 -0.052 0.000 1.021 310 S CA 1.595 59.760 58.200 -0.057 0.000 0.974 310 S CB 1.038 64.189 63.200 -0.082 0.000 0.800 310 S HN -0.431 7.812 8.310 -0.063 0.030 0.484 311 G N 1.063 109.831 108.800 -0.054 0.000 2.789 311 G HA2 -0.179 nan 3.960 nan 0.000 0.218 311 G HA3 -0.179 nan 3.960 nan 0.000 0.218 311 G C -1.592 173.277 174.900 -0.050 0.000 0.980 311 G CA -0.424 44.654 45.100 -0.036 0.000 0.848 311 G HN 0.018 8.168 8.290 -0.062 0.102 0.591 312 R N -0.083 120.370 120.500 -0.078 0.000 2.410 312 R HA 0.207 nan 4.340 nan 0.000 0.288 312 R C -0.733 175.544 176.300 -0.039 0.000 1.051 312 R CA -0.131 55.911 56.100 -0.098 0.000 1.021 312 R CB 1.212 31.413 30.300 -0.165 0.000 1.032 312 R HN -0.651 7.569 8.270 -0.082 0.000 0.481 313 T N 5.896 120.439 114.554 -0.018 0.000 2.792 313 T HA 0.372 nan 4.350 nan 0.000 0.280 313 T C -1.730 173.041 174.700 0.120 0.000 0.990 313 T CA -1.536 60.594 62.100 0.051 0.000 0.960 313 T CB 1.625 70.519 68.868 0.045 0.000 0.939 313 T HN 0.254 8.465 8.240 -0.049 0.000 0.439 314 W N 8.079 129.340 121.300 -0.064 0.000 2.532 314 W HA 0.605 nan 4.660 nan 0.000 0.321 314 W C -1.777 174.706 176.519 -0.060 0.000 1.037 314 W CA -2.801 54.500 57.345 -0.073 0.000 1.220 314 W CB 1.345 30.761 29.460 -0.073 0.000 1.361 314 W HN 0.303 8.631 8.180 0.246 0.000 0.468 315 K N 4.177 124.616 120.400 0.067 0.000 2.349 315 K HA 0.608 nan 4.320 nan 0.000 0.243 315 K C -1.323 175.171 176.600 -0.176 0.000 1.058 315 K CA -1.606 54.635 56.287 -0.077 0.000 0.871 315 K CB 4.106 36.595 32.500 -0.019 0.000 1.337 315 K HN 0.775 9.138 8.250 0.189 0.000 0.469 316 G N -2.112 106.590 108.800 -0.163 0.000 2.695 316 G HA2 0.768 nan 3.960 nan 0.000 0.290 316 G HA3 0.768 nan 3.960 nan 0.000 0.290 316 G C -2.415 172.411 174.900 -0.123 0.000 1.410 316 G CA -0.475 44.525 45.100 -0.167 0.000 0.844 316 G HN -0.075 8.133 8.290 -0.136 0.000 0.478 317 A N 0.266 123.019 122.820 -0.112 0.000 2.565 317 A HA 0.263 nan 4.320 nan 0.000 0.298 317 A C -1.572 175.966 177.584 -0.077 0.000 1.062 317 A CA 0.645 52.622 52.037 -0.100 0.000 0.723 317 A CB 2.394 21.347 19.000 -0.078 0.000 1.282 317 A HN 0.043 8.130 8.150 -0.105 0.000 0.400 318 I N 1.751 122.276 120.570 -0.075 0.000 2.377 318 I HA 0.353 nan 4.170 nan 0.000 0.293 318 I C 0.190 176.414 176.117 0.178 0.000 0.987 318 I CA -0.685 60.632 61.300 0.028 0.000 1.185 318 I CB 2.224 40.163 38.000 -0.101 0.000 1.341 318 I HN 0.594 8.743 8.210 -0.102 0.000 0.455 319 F N 6.998 127.000 119.950 0.087 0.000 3.074 319 F HA -0.391 nan 4.527 nan 0.000 0.289 319 F C 0.075 175.897 175.800 0.036 0.000 0.863 319 F CA 0.274 58.328 58.000 0.090 0.000 1.121 319 F CB -0.635 38.306 39.000 -0.098 0.000 1.169 319 F HN 0.952 9.481 8.300 0.381 0.000 0.570 320 G N -3.521 105.164 108.800 -0.193 0.000 2.155 320 G HA2 -0.465 nan 3.960 nan 0.000 0.257 320 G HA3 -0.465 nan 3.960 nan 0.000 0.257 320 G C 0.186 174.738 174.900 -0.580 0.000 0.983 320 G CA 0.247 45.073 45.100 -0.456 0.000 0.676 320 G HN 0.295 8.527 8.290 -0.058 0.023 0.528 321 G N -3.419 105.226 108.800 -0.259 0.000 2.179 321 G HA2 -0.448 nan 3.960 nan 0.000 0.260 321 G HA3 -0.448 nan 3.960 nan 0.000 0.260 321 G C -0.395 174.473 174.900 -0.054 0.000 0.977 321 G CA 0.015 45.017 45.100 -0.162 0.000 0.641 321 G HN -0.414 7.758 8.290 -0.109 0.052 0.533 322 F N 0.891 120.872 119.950 0.051 0.000 2.456 322 F HA -0.111 nan 4.527 nan 0.000 0.358 322 F C -0.014 175.920 175.800 0.223 0.000 1.095 322 F CA -0.990 57.078 58.000 0.113 0.000 1.216 322 F CB 0.403 39.428 39.000 0.040 0.000 1.125 322 F HN -0.859 7.292 8.300 -0.134 0.069 0.549 323 K N 5.195 125.822 120.400 0.379 0.000 2.363 323 K HA -0.013 nan 4.320 nan 0.000 0.289 323 K C 0.854 177.584 176.600 0.218 0.000 1.063 323 K CA 0.370 56.793 56.287 0.226 0.000 0.967 323 K CB -0.263 32.330 32.500 0.156 0.000 0.987 323 K HN 0.407 8.885 8.250 0.381 0.000 0.473 324 S N 7.891 123.684 115.700 0.155 0.000 2.404 324 S HA -0.502 nan 4.470 nan 0.000 0.230 324 S C 1.567 176.183 174.600 0.027 0.000 1.046 324 S CA 3.812 62.033 58.200 0.035 0.000 1.135 324 S CB -0.340 62.710 63.200 -0.250 0.000 1.056 324 S HN 0.560 8.935 8.310 0.109 0.000 0.426 325 K N 0.815 121.211 120.400 -0.008 0.000 2.032 325 K HA -0.328 nan 4.320 nan 0.000 0.209 325 K C 1.760 178.371 176.600 0.018 0.000 1.048 325 K CA 2.967 59.252 56.287 -0.002 0.000 0.927 325 K CB -0.224 32.269 32.500 -0.012 0.000 0.712 325 K HN -0.655 7.727 8.250 -0.019 -0.143 0.441 326 D N -2.034 118.384 120.400 0.029 0.000 2.149 326 D HA -0.143 nan 4.640 nan 0.000 0.198 326 D C 2.364 178.671 176.300 0.011 0.000 0.990 326 D CA 2.665 56.681 54.000 0.027 0.000 0.839 326 D CB 0.099 40.925 40.800 0.043 0.000 0.948 326 D HN -0.626 8.016 8.370 0.035 -0.251 0.460 327 S N -0.164 115.539 115.700 0.005 0.000 2.388 327 S HA -0.074 nan 4.470 nan 0.000 0.223 327 S C 2.270 176.809 174.600 -0.101 0.000 1.034 327 S CA 2.708 60.843 58.200 -0.109 0.000 0.963 327 S CB 0.572 63.611 63.200 -0.269 0.000 0.827 327 S HN -0.257 8.069 8.310 0.051 0.014 0.481 328 V N -0.366 119.558 119.914 0.016 0.000 2.392 328 V HA -0.025 nan 4.120 nan 0.000 0.249 328 V C -1.169 174.943 176.094 0.030 0.000 1.059 328 V CA 4.660 66.992 62.300 0.054 0.000 1.051 328 V CB -2.582 29.314 31.823 0.122 0.000 0.658 328 V HN -0.120 8.107 8.190 0.061 0.000 0.455 329 P HA -0.076 nan 4.420 nan 0.000 0.220 329 P C 1.519 178.832 177.300 0.020 0.000 1.152 329 P CA 2.834 65.947 63.100 0.021 0.000 0.812 329 P CB -0.792 30.917 31.700 0.016 0.000 0.792 330 K N -0.350 120.054 120.400 0.007 0.000 2.103 330 K HA -0.193 nan 4.320 nan 0.000 0.204 330 K C 2.187 178.808 176.600 0.034 0.000 1.052 330 K CA 2.488 58.782 56.287 0.012 0.000 0.945 330 K CB -0.505 31.992 32.500 -0.005 0.000 0.722 330 K HN -0.664 7.582 8.250 -0.007 0.000 0.443 331 L N -0.886 120.348 121.223 0.017 0.000 2.027 331 L HA -0.352 nan 4.340 nan 0.000 0.206 331 L C 1.980 178.959 176.870 0.182 0.000 1.074 331 L CA 3.335 58.237 54.840 0.103 0.000 0.745 331 L CB -0.043 42.031 42.059 0.025 0.000 0.898 331 L HN 0.111 8.324 8.230 -0.029 0.000 0.433 332 V N -1.696 118.281 119.914 0.104 0.000 2.392 332 V HA -0.505 nan 4.120 nan 0.000 0.249 332 V C 1.820 177.968 176.094 0.091 0.000 1.059 332 V CA 4.231 66.585 62.300 0.089 0.000 1.051 332 V CB -1.291 30.560 31.823 0.048 0.000 0.658 332 V HN 0.053 8.285 8.190 0.070 0.000 0.455 333 A N -0.947 121.907 122.820 0.057 0.000 1.898 333 A HA -0.346 nan 4.320 nan 0.000 0.216 333 A C 1.736 179.311 177.584 -0.015 0.000 1.181 333 A CA 3.515 55.565 52.037 0.021 0.000 0.620 333 A CB -0.816 18.196 19.000 0.020 0.000 0.819 333 A HN -0.266 7.817 8.150 0.056 0.100 0.442 334 D N -0.710 119.704 120.400 0.023 0.000 2.178 334 D HA -0.267 nan 4.640 nan 0.000 0.201 334 D C 1.979 178.091 176.300 -0.314 0.000 0.980 334 D CA 3.060 57.051 54.000 -0.015 0.000 0.842 334 D CB -0.395 40.537 40.800 0.220 0.000 0.948 334 D HN -0.588 7.753 8.370 0.080 0.077 0.472 335 F N 1.618 121.215 119.950 -0.589 0.000 2.075 335 F HA -0.331 nan 4.527 nan 0.000 0.297 335 F C 1.922 177.442 175.800 -0.467 0.000 1.113 335 F CA 3.313 60.768 58.000 -0.908 0.000 1.218 335 F CB 0.304 38.916 39.000 -0.646 0.000 0.984 335 F HN -0.250 7.916 8.300 -0.069 0.093 0.472 336 M N -0.751 118.675 119.600 -0.290 0.000 2.144 336 M HA -0.406 nan 4.480 nan 0.000 0.260 336 M C 1.688 177.797 176.300 -0.317 0.000 1.067 336 M CA 2.335 57.465 55.300 -0.284 0.000 1.095 336 M CB -1.247 31.300 32.600 -0.089 0.000 1.365 336 M HN -0.151 8.052 8.290 -0.044 0.060 0.406 337 A N -3.348 119.316 122.820 -0.260 0.000 2.206 337 A HA -0.085 nan 4.320 nan 0.000 0.211 337 A C -0.604 176.833 177.584 -0.245 0.000 1.158 337 A CA 0.224 52.142 52.037 -0.198 0.000 0.761 337 A CB 0.367 19.295 19.000 -0.120 0.000 0.801 337 A HN -0.246 7.749 8.150 -0.232 0.016 0.473 338 K N -4.432 115.727 120.400 -0.401 0.000 3.241 338 K HA -0.347 nan 4.320 nan 0.000 0.270 338 K C -0.164 176.285 176.600 -0.252 0.000 1.118 338 K CA 1.001 57.048 56.287 -0.400 0.000 0.792 338 K CB -2.109 30.218 32.500 -0.288 0.000 1.283 338 K HN -0.165 7.555 8.250 -0.530 0.211 0.480 339 K N -2.403 117.839 120.400 -0.265 0.000 2.358 339 K HA 0.002 nan 4.320 nan 0.000 0.197 339 K C -0.606 176.094 176.600 0.166 0.000 1.025 339 K CA 0.938 57.212 56.287 -0.022 0.000 1.104 339 K CB 1.013 33.562 32.500 0.081 0.000 0.855 339 K HN -0.216 7.767 8.250 -0.444 0.000 0.531 340 F N -5.438 114.493 119.950 -0.032 0.000 2.744 340 F HA 0.209 nan 4.527 nan 0.000 0.311 340 F C -2.315 173.485 175.800 -0.001 0.000 1.144 340 F CA -2.496 55.510 58.000 0.009 0.000 0.938 340 F CB 1.548 40.556 39.000 0.013 0.000 1.292 340 F HN -0.947 7.055 8.300 -0.403 0.056 0.444 341 A N 0.760 123.759 122.820 0.297 0.000 2.350 341 A HA 0.329 nan 4.320 nan 0.000 0.324 341 A C -1.523 176.215 177.584 0.256 0.000 1.118 341 A CA -0.812 51.355 52.037 0.217 0.000 0.783 341 A CB 1.549 20.628 19.000 0.132 0.000 1.236 341 A HN 0.428 8.793 8.150 0.359 0.000 0.457 342 L N 0.915 122.279 121.223 0.235 0.000 2.575 342 L HA 0.161 nan 4.340 nan 0.000 0.228 342 L C 1.543 178.470 176.870 0.096 0.000 1.075 342 L CA 0.739 55.640 54.840 0.101 0.000 0.867 342 L CB -0.069 41.944 42.059 -0.077 0.000 1.097 342 L HN 0.354 8.791 8.230 0.345 0.000 0.485 343 D N 0.452 120.920 120.400 0.112 0.000 2.126 343 D HA -0.219 nan 4.640 nan 0.000 0.190 343 D C 0.111 176.457 176.300 0.077 0.000 1.001 343 D CA 4.782 58.832 54.000 0.082 0.000 0.841 343 D CB -2.581 38.264 40.800 0.075 0.000 0.949 343 D HN 0.390 8.850 8.370 0.150 0.000 0.446 344 P HA -0.170 nan 4.420 nan 0.000 0.219 344 P C 0.280 177.633 177.300 0.088 0.000 1.144 344 P CA 1.775 64.926 63.100 0.086 0.000 0.806 344 P CB -0.206 31.555 31.700 0.101 0.000 0.771 345 L N -5.625 115.656 121.223 0.096 0.000 2.270 345 L HA -0.010 nan 4.340 nan 0.000 0.210 345 L C -0.138 176.779 176.870 0.078 0.000 1.104 345 L CA -0.473 54.423 54.840 0.094 0.000 0.804 345 L CB 0.220 42.346 42.059 0.111 0.000 0.937 345 L HN -0.291 7.841 8.230 0.101 0.159 0.450 346 I N -1.021 119.591 120.570 0.069 0.000 2.329 346 I HA -0.258 nan 4.170 nan 0.000 0.295 346 I C 0.121 176.281 176.117 0.072 0.000 1.109 346 I CA 1.146 62.485 61.300 0.065 0.000 1.297 346 I CB -1.229 36.800 38.000 0.048 0.000 1.433 346 I HN -0.371 7.765 8.210 0.068 0.115 0.509 347 T N 5.709 120.337 114.554 0.123 0.000 3.031 347 T HA 0.087 nan 4.350 nan 0.000 0.254 347 T C 0.460 175.196 174.700 0.061 0.000 1.060 347 T CA 0.489 62.670 62.100 0.134 0.000 1.135 347 T CB 0.841 69.865 68.868 0.259 0.000 0.896 347 T HN 0.618 8.840 8.240 0.134 0.099 0.472 348 H N 0.270 119.330 119.070 -0.017 0.000 2.894 348 H HA 0.345 nan 4.556 nan 0.000 0.368 348 H C -2.170 173.144 175.328 -0.024 0.000 1.181 348 H CA -1.377 54.657 56.048 -0.024 0.000 1.146 348 H CB 3.824 33.564 29.762 -0.037 0.000 1.839 348 H HN -0.533 7.926 8.280 0.299 0.000 0.557 349 V N 2.484 122.462 119.914 0.106 0.000 2.577 349 V HA 0.490 nan 4.120 nan 0.000 0.294 349 V C -1.493 174.618 176.094 0.029 0.000 1.052 349 V CA -0.267 62.062 62.300 0.048 0.000 0.891 349 V CB 1.594 33.434 31.823 0.029 0.000 1.017 349 V HN 0.239 8.488 8.190 0.099 0.000 0.436 350 L N 5.100 126.324 121.223 0.002 0.000 2.333 350 L HA 0.701 nan 4.340 nan 0.000 0.263 350 L C -2.244 174.594 176.870 -0.053 0.000 1.014 350 L CA -3.508 51.317 54.840 -0.025 0.000 0.820 350 L CB 3.157 45.187 42.059 -0.047 0.000 1.352 350 L HN 0.551 8.776 8.230 -0.008 0.000 0.421 351 P HA 0.253 nan 4.420 nan 0.000 0.275 351 P C 0.508 177.727 177.300 -0.136 0.000 1.228 351 P CA -0.707 62.351 63.100 -0.069 0.000 0.786 351 P CB 0.589 32.262 31.700 -0.045 0.000 0.927 352 F N 5.393 125.112 119.950 -0.385 0.000 2.082 352 F HA -0.613 nan 4.527 nan 0.000 0.298 352 F C 1.134 176.725 175.800 -0.348 0.000 1.091 352 F CA 4.235 61.903 58.000 -0.553 0.000 1.230 352 F CB 0.142 38.508 39.000 -1.057 0.000 0.983 352 F HN 0.775 8.995 8.300 -0.134 0.000 0.485 353 E N -2.901 117.106 120.200 -0.322 0.000 2.171 353 E HA -0.409 nan 4.350 nan 0.000 0.197 353 E C 1.470 177.883 176.600 -0.312 0.000 0.997 353 E CA 2.493 58.702 56.400 -0.318 0.000 0.810 353 E CB -0.719 28.915 29.700 -0.111 0.000 0.738 353 E HN 0.366 8.656 8.360 -0.101 0.009 0.467 354 K N -1.887 118.361 120.400 -0.252 0.000 2.627 354 K HA -0.024 nan 4.320 nan 0.000 0.212 354 K C 0.773 177.241 176.600 -0.221 0.000 1.041 354 K CA -0.670 55.506 56.287 -0.184 0.000 1.205 354 K CB -0.765 31.666 32.500 -0.115 0.000 0.936 354 K HN -0.200 7.763 8.250 -0.233 0.148 0.489 355 I N 1.778 122.123 120.570 -0.374 0.000 2.113 355 I HA -0.606 nan 4.170 nan 0.000 0.242 355 I C 0.356 176.416 176.117 -0.096 0.000 1.064 355 I CA 3.878 64.946 61.300 -0.387 0.000 1.320 355 I CB 0.100 37.620 38.000 -0.799 0.000 1.028 355 I HN 0.054 7.838 8.210 -0.505 0.123 0.406 356 N N -2.489 116.159 118.700 -0.086 0.000 2.272 356 N HA -0.372 nan 4.740 nan 0.000 0.185 356 N C 2.281 177.823 175.510 0.054 0.000 1.014 356 N CA 3.131 56.201 53.050 0.033 0.000 0.870 356 N CB -0.488 37.992 38.487 -0.011 0.000 0.975 356 N HN 0.204 8.482 8.380 -0.170 0.000 0.433 357 E N 0.774 120.969 120.200 -0.008 0.000 2.072 357 E HA -0.170 nan 4.350 nan 0.000 0.190 357 E C 1.876 178.458 176.600 -0.030 0.000 0.982 357 E CA 2.565 58.954 56.400 -0.017 0.000 0.803 357 E CB -0.150 29.528 29.700 -0.038 0.000 0.755 357 E HN -0.174 7.994 8.360 -0.052 0.161 0.453 358 G N -0.817 107.948 108.800 -0.058 0.000 2.442 358 G HA2 -0.256 nan 3.960 nan 0.000 0.219 358 G HA3 -0.256 nan 3.960 nan 0.000 0.219 358 G C 1.847 176.628 174.900 -0.198 0.000 1.141 358 G CA 2.101 47.101 45.100 -0.166 0.000 0.763 358 G HN -0.245 7.930 8.290 -0.057 0.082 0.554 359 F N -0.013 119.866 119.950 -0.118 0.000 2.259 359 F HA -0.195 nan 4.527 nan 0.000 0.298 359 F C 1.015 176.778 175.800 -0.062 0.000 1.088 359 F CA 3.563 61.526 58.000 -0.062 0.000 1.358 359 F CB -0.176 38.834 39.000 0.018 0.000 1.040 359 F HN -0.433 8.040 8.300 0.311 0.014 0.505 360 D N 0.461 120.917 120.400 0.093 0.000 2.117 360 D HA -0.190 nan 4.640 nan 0.000 0.198 360 D C 2.507 178.792 176.300 -0.026 0.000 0.982 360 D CA 3.657 57.675 54.000 0.030 0.000 0.828 360 D CB -0.552 40.259 40.800 0.017 0.000 0.967 360 D HN -0.855 7.471 8.370 0.108 0.108 0.464 361 L N -1.450 119.720 121.223 -0.088 0.000 2.083 361 L HA -0.215 nan 4.340 nan 0.000 0.209 361 L C 3.011 179.794 176.870 -0.145 0.000 1.083 361 L CA 2.440 57.189 54.840 -0.152 0.000 0.752 361 L CB -1.039 40.800 42.059 -0.367 0.000 0.899 361 L HN 0.049 8.222 8.230 -0.094 0.000 0.433 362 L N 0.239 121.368 121.223 -0.157 0.000 1.948 362 L HA -0.413 nan 4.340 nan 0.000 0.212 362 L C 2.087 178.923 176.870 -0.057 0.000 1.074 362 L CA 3.108 57.869 54.840 -0.132 0.000 0.753 362 L CB -0.406 41.546 42.059 -0.179 0.000 0.888 362 L HN -0.535 7.484 8.230 -0.170 0.109 0.432 363 R N -2.570 117.918 120.500 -0.021 0.000 2.170 363 R HA -0.348 nan 4.340 nan 0.000 0.242 363 R C 2.266 178.568 176.300 0.003 0.000 1.145 363 R CA 3.048 59.152 56.100 0.008 0.000 0.984 363 R CB -0.136 30.184 30.300 0.034 0.000 0.869 363 R HN 0.092 8.355 8.270 -0.011 0.000 0.455 364 S N -3.156 112.539 115.700 -0.008 0.000 2.470 364 S HA -0.049 nan 4.470 nan 0.000 0.225 364 S C 0.682 175.279 174.600 -0.005 0.000 1.006 364 S CA 1.145 59.343 58.200 -0.004 0.000 0.934 364 S CB 0.881 64.078 63.200 -0.005 0.000 0.778 364 S HN -0.314 7.959 8.310 -0.019 0.026 0.517 365 G N 0.800 109.593 108.800 -0.011 0.000 2.176 365 G HA2 -0.310 nan 3.960 nan 0.000 0.232 365 G HA3 -0.310 nan 3.960 nan 0.000 0.232 365 G C 0.454 175.357 174.900 0.004 0.000 0.986 365 G CA 0.442 45.539 45.100 -0.005 0.000 0.643 365 G HN -0.379 7.759 8.290 -0.024 0.138 0.522 366 E N -0.777 119.428 120.200 0.010 0.000 2.435 366 E HA -0.030 nan 4.350 nan 0.000 0.195 366 E C -0.162 176.510 176.600 0.119 0.000 1.029 366 E CA 0.327 56.762 56.400 0.058 0.000 0.865 366 E CB 0.352 30.105 29.700 0.089 0.000 0.833 366 E HN -0.251 8.104 8.360 -0.008 0.000 0.510 367 S N -1.463 114.250 115.700 0.021 0.000 2.689 367 S HA 0.288 nan 4.470 nan 0.000 0.306 367 S C -1.536 173.072 174.600 0.012 0.000 1.104 367 S CA -1.132 57.080 58.200 0.020 0.000 0.973 367 S CB 3.255 66.253 63.200 -0.337 0.000 1.121 367 S HN -0.726 7.516 8.310 -0.035 0.047 0.523 368 I N -0.770 119.825 120.570 0.042 0.000 4.083 368 I HA 0.211 nan 4.170 nan 0.000 0.240 368 I C 0.185 176.307 176.117 0.008 0.000 1.088 368 I CA 0.526 61.848 61.300 0.036 0.000 1.651 368 I CB 1.595 39.635 38.000 0.066 0.000 1.573 368 I HN 0.206 8.470 8.210 0.091 0.000 0.451 369 R N -1.049 119.470 120.500 0.032 0.000 2.393 369 R HA 0.340 nan 4.340 nan 0.000 0.315 369 R C -1.938 174.369 176.300 0.012 0.000 0.952 369 R CA -2.154 53.950 56.100 0.006 0.000 0.842 369 R CB 1.898 32.218 30.300 0.033 0.000 1.163 369 R HN -0.185 8.123 8.270 0.064 0.000 0.450 370 T N 3.188 117.705 114.554 -0.061 0.000 2.779 370 T HA 0.486 nan 4.350 nan 0.000 0.280 370 T C -1.159 173.515 174.700 -0.044 0.000 0.987 370 T CA -2.019 60.049 62.100 -0.054 0.000 0.966 370 T CB 1.344 70.082 68.868 -0.217 0.000 0.933 370 T HN 0.504 8.677 8.240 -0.113 0.000 0.442 371 I N 8.202 128.776 120.570 0.006 0.000 2.336 371 I HA 0.771 nan 4.170 nan 0.000 0.292 371 I C -1.208 174.917 176.117 0.012 0.000 0.991 371 I CA -3.085 58.227 61.300 0.019 0.000 1.227 371 I CB -0.012 38.009 38.000 0.036 0.000 1.366 371 I HN 0.834 8.959 8.210 0.035 0.105 0.466 372 L N 8.463 129.699 121.223 0.021 0.000 2.264 372 L HA 0.512 nan 4.340 nan 0.000 0.289 372 L C -0.572 176.318 176.870 0.033 0.000 1.044 372 L CA -1.410 53.420 54.840 -0.018 0.000 0.807 372 L CB -0.183 41.843 42.059 -0.056 0.000 1.192 372 L HN 0.971 9.124 8.230 0.051 0.108 0.425 373 T N 1.304 115.859 114.554 0.001 0.000 2.928 373 T HA 0.649 nan 4.350 nan 0.000 0.284 373 T C -0.641 174.065 174.700 0.009 0.000 1.008 373 T CA -2.099 60.051 62.100 0.083 0.000 1.057 373 T CB 1.597 70.505 68.868 0.066 0.000 1.018 373 T HN 0.424 8.648 8.240 -0.027 0.000 0.493 374 F N 0.000 119.947 119.950 -0.005 0.000 2.286 374 F HA 0.000 nan 4.527 nan 0.000 0.279 374 F CA 0.000 57.969 58.000 -0.052 0.000 1.383 374 F CB 0.000 38.890 39.000 -0.183 0.000 1.145 374 F HN 0.000 8.544 8.300 0.407 0.000 0.574