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 2fun_1_A DATA FIRST_RESID 2 DATA SEQUENCE CVIFPVEIDV SQTIIRDCQV DKQTRELVYI NKIMNTQLTK PVLMMFNISG DATA SEQUENCE PIRSVTRKNN NLRDRIKSKV DEQFDQLERD YSDQMDXXXX XIKYFKDEHY DATA SEQUENCE SVSCQNGSVL KSKFAKILKS HDYTDKKSIE AYEKYCLPKL VDERNDYYVA DATA SEQUENCE VCVLKPGFEN GSNQVLSFEY NPIGNKVIVP FAHEINDTGL YEYDVVAYVD DATA SEQUENCE SVQFDGEQFE EFVQSLILPS SFKNSEKVLY YNEASKNKSM IYKALEFTTE DATA SEQUENCE SSWGKSEKYN WKIFCNGFIY DKKSKVLYVK LHNVTSALNK NVILNTIK 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 2 C HA 0.000 nan 4.460 nan 0.000 0.325 2 C C 0.000 175.004 174.990 0.023 0.000 1.270 2 C CA 0.000 59.025 59.018 0.012 0.000 1.963 2 C CB 0.000 27.747 27.740 0.011 0.000 2.134 3 V N 1.673 121.602 119.914 0.024 0.000 2.455 3 V HA 0.237 4.357 4.120 -0.000 0.000 0.262 3 V C -1.034 175.079 176.094 0.032 0.000 1.810 3 V CA -0.017 62.311 62.300 0.046 0.000 0.759 3 V CB 0.712 32.571 31.823 0.061 0.000 1.316 3 V HN 0.291 nan 8.190 nan 0.000 0.460 4 I N 6.245 126.832 120.570 0.028 0.000 4.026 4 I HA 0.293 4.463 4.170 -0.000 0.000 0.324 4 I C 0.275 176.361 176.117 -0.052 0.000 1.474 4 I CA 0.269 61.550 61.300 -0.031 0.000 1.107 4 I CB 0.803 38.745 38.000 -0.097 0.000 1.345 4 I HN 0.525 nan 8.210 nan 0.000 0.531 5 F N 3.653 123.607 119.950 0.007 0.000 2.819 5 F HA 0.326 4.853 4.527 -0.000 0.000 0.294 5 F C -0.604 175.203 175.800 0.011 0.000 1.166 5 F CA -1.824 56.182 58.000 0.009 0.000 1.374 5 F CB -0.411 38.596 39.000 0.011 0.000 0.956 5 F HN 0.122 nan 8.300 nan 0.000 0.509 6 P HA 0.182 nan 4.420 nan 0.000 0.343 6 P C -0.089 177.272 177.300 0.102 0.000 1.358 6 P CA -0.124 63.047 63.100 0.120 0.000 0.802 6 P CB 0.101 31.844 31.700 0.072 0.000 1.886 7 V N -1.038 118.915 119.914 0.065 0.000 3.050 7 V HA -0.113 4.007 4.120 -0.000 0.000 0.283 7 V C 0.421 176.549 176.094 0.055 0.000 1.384 7 V CA 1.053 63.384 62.300 0.051 0.000 1.419 7 V CB -1.956 29.884 31.823 0.029 0.000 0.820 7 V HN 0.919 nan 8.190 nan 0.000 0.463 8 E N 4.521 124.756 120.200 0.058 0.000 2.587 8 E HA 0.466 4.816 4.350 -0.000 0.000 0.115 8 E C -0.243 176.387 176.600 0.050 0.000 1.219 8 E CA -0.982 55.453 56.400 0.058 0.000 0.816 8 E CB 0.489 30.238 29.700 0.083 0.000 2.119 8 E HN 0.308 nan 8.360 nan 0.000 0.503 9 I N 1.933 122.534 120.570 0.052 0.000 2.566 9 I HA 0.117 4.287 4.170 -0.000 0.000 0.286 9 I C -0.068 176.076 176.117 0.045 0.000 1.060 9 I CA 1.304 62.631 61.300 0.046 0.000 2.222 9 I CB -1.453 36.574 38.000 0.045 0.000 1.534 9 I HN 0.587 nan 8.210 nan 0.000 0.987 10 D N 1.145 121.572 120.400 0.045 0.000 1.861 10 D HA -0.091 4.549 4.640 -0.000 0.000 0.637 10 D C 0.422 176.750 176.300 0.047 0.000 0.769 10 D CA 0.138 54.166 54.000 0.046 0.000 1.136 10 D CB 0.820 41.648 40.800 0.047 0.000 1.415 10 D HN 0.076 nan 8.370 nan 0.000 0.465 11 V N 2.086 122.025 119.914 0.042 0.000 2.326 11 V HA 0.522 4.642 4.120 -0.000 0.000 0.249 11 V C -0.945 175.164 176.094 0.026 0.000 1.114 11 V CA 0.768 63.088 62.300 0.033 0.000 1.028 11 V CB 0.153 31.991 31.823 0.024 0.000 1.170 11 V HN 0.201 nan 8.190 nan 0.000 0.494 12 S N 5.833 121.550 115.700 0.028 0.000 2.548 12 S HA 0.234 4.704 4.470 -0.000 0.000 0.168 12 S C 0.133 174.743 174.600 0.017 0.000 1.068 12 S CA -0.602 57.610 58.200 0.020 0.000 1.129 12 S CB 1.134 64.354 63.200 0.033 0.000 1.435 12 S HN 0.929 nan 8.310 nan 0.000 0.410 13 Q N 1.196 120.994 119.800 -0.004 0.000 1.952 13 Q HA 0.514 4.854 4.340 -0.000 0.000 0.417 13 Q C -0.463 175.508 176.000 -0.049 0.000 0.963 13 Q CA 0.078 55.877 55.803 -0.008 0.000 0.833 13 Q CB 0.053 28.775 28.738 -0.027 0.000 2.051 13 Q HN 0.346 nan 8.270 nan 0.000 0.419 14 T N 0.820 115.318 114.554 -0.093 0.000 3.709 14 T HA 0.408 4.758 4.350 -0.000 0.000 0.378 14 T C -1.520 173.074 174.700 -0.176 0.000 1.352 14 T CA -0.635 61.368 62.100 -0.161 0.000 1.144 14 T CB 1.312 70.062 68.868 -0.196 0.000 1.289 14 T HN 0.279 nan 8.240 nan 0.000 0.476 15 I N 5.051 125.499 120.570 -0.204 0.000 2.418 15 I HA 0.561 4.731 4.170 -0.000 0.000 0.287 15 I C -0.070 175.930 176.117 -0.195 0.000 1.008 15 I CA -1.034 60.175 61.300 -0.151 0.000 1.104 15 I CB 1.365 39.307 38.000 -0.095 0.000 1.264 15 I HN 0.660 nan 8.210 nan 0.000 0.438 16 I N 3.480 123.972 120.570 -0.130 0.000 2.498 16 I HA 0.677 4.847 4.170 -0.000 0.000 0.290 16 I C -0.580 175.543 176.117 0.009 0.000 1.032 16 I CA -0.834 60.402 61.300 -0.106 0.000 1.073 16 I CB 2.481 40.395 38.000 -0.144 0.000 1.251 16 I HN 0.569 nan 8.210 nan 0.000 0.426 17 R N 4.000 124.525 120.500 0.042 0.000 2.621 17 R HA 0.439 4.779 4.340 -0.000 0.000 0.292 17 R C -1.745 174.609 176.300 0.091 0.000 0.969 17 R CA -0.466 55.706 56.100 0.120 0.000 0.887 17 R CB 1.932 32.323 30.300 0.153 0.000 1.180 17 R HN 0.871 nan 8.270 nan 0.000 0.450 18 D N 4.691 125.137 120.400 0.076 0.000 2.479 18 D HA 0.283 4.923 4.640 -0.000 0.000 0.246 18 D C -1.351 174.975 176.300 0.043 0.000 1.336 18 D CA -0.217 53.825 54.000 0.070 0.000 0.967 18 D CB 1.162 41.983 40.800 0.036 0.000 1.275 18 D HN 0.528 nan 8.370 nan 0.000 0.577 19 C N 2.241 121.584 119.300 0.072 0.000 2.667 19 C HA 0.468 4.928 4.460 -0.000 0.000 0.323 19 C C 0.111 175.113 174.990 0.021 0.000 1.214 19 C CA -0.819 58.219 59.018 0.034 0.000 1.721 19 C CB 1.602 29.389 27.740 0.077 0.000 2.275 19 C HN 0.585 nan 8.230 nan 0.000 0.491 20 Q N 0.850 120.645 119.800 -0.009 0.000 2.314 20 Q HA 0.355 4.695 4.340 -0.000 0.000 0.257 20 Q C 0.311 176.301 176.000 -0.016 0.000 0.975 20 Q CA -0.097 55.688 55.803 -0.030 0.000 0.933 20 Q CB 0.953 29.669 28.738 -0.036 0.000 1.195 20 Q HN 0.652 nan 8.270 nan 0.000 0.426 21 V N 3.314 123.215 119.914 -0.022 0.000 2.535 21 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 21 V C 0.390 176.475 176.094 -0.015 0.000 1.045 21 V CA 1.829 64.123 62.300 -0.010 0.000 1.058 21 V CB -0.480 31.339 31.823 -0.006 0.000 0.689 21 V HN 0.969 nan 8.190 nan 0.000 0.461 22 D N -2.317 118.067 120.400 -0.027 0.000 3.158 22 D HA 0.166 4.806 4.640 -0.000 0.000 0.314 22 D C 1.116 177.398 176.300 -0.030 0.000 1.308 22 D CA -0.381 53.606 54.000 -0.023 0.000 1.001 22 D CB 0.632 41.421 40.800 -0.019 0.000 1.389 22 D HN -0.141 nan 8.370 nan 0.000 0.595 23 K N -0.884 119.501 120.400 -0.025 0.000 1.969 23 K HA -0.177 4.143 4.320 -0.000 0.000 0.223 23 K C 0.743 177.318 176.600 -0.041 0.000 1.048 23 K CA 1.813 58.085 56.287 -0.025 0.000 0.983 23 K CB -0.255 32.234 32.500 -0.018 0.000 0.738 23 K HN 0.557 nan 8.250 nan 0.000 0.446 24 Q N 1.298 121.070 119.800 -0.047 0.000 2.640 24 Q HA 0.206 4.546 4.340 -0.000 0.000 0.389 24 Q C -1.242 174.693 176.000 -0.109 0.000 1.012 24 Q CA -0.191 55.569 55.803 -0.071 0.000 1.060 24 Q CB 0.871 29.579 28.738 -0.050 0.000 1.332 24 Q HN 0.126 nan 8.270 nan 0.000 0.418 25 T N 0.928 115.407 114.554 -0.126 0.000 3.105 25 T HA 0.577 4.927 4.350 -0.000 0.000 0.321 25 T C -0.750 173.842 174.700 -0.180 0.000 1.135 25 T CA -0.619 61.384 62.100 -0.161 0.000 1.053 25 T CB 1.676 70.495 68.868 -0.081 0.000 1.133 25 T HN 0.313 nan 8.240 nan 0.000 0.463 26 R N 1.124 121.444 120.500 -0.300 0.000 2.854 26 R HA 0.671 5.011 4.340 -0.000 0.000 0.271 26 R C -0.877 175.439 176.300 0.027 0.000 0.994 26 R CA -1.059 54.933 56.100 -0.181 0.000 0.945 26 R CB 2.314 32.441 30.300 -0.287 0.000 1.194 26 R HN 0.526 nan 8.270 nan 0.000 0.476 27 E N 2.011 122.297 120.200 0.143 0.000 2.222 27 E HA 0.303 4.653 4.350 -0.000 0.000 0.267 27 E C -1.652 175.091 176.600 0.238 0.000 0.884 27 E CA -0.872 55.649 56.400 0.202 0.000 0.764 27 E CB 1.882 31.645 29.700 0.106 0.000 1.169 27 E HN 0.273 nan 8.360 nan 0.000 0.413 28 L N 5.005 126.380 121.223 0.253 0.000 2.325 28 L HA 0.403 4.743 4.340 -0.000 0.000 0.281 28 L C -1.622 175.372 176.870 0.207 0.000 1.004 28 L CA -0.616 54.329 54.840 0.174 0.000 0.823 28 L CB 1.593 43.669 42.059 0.028 0.000 1.236 28 L HN 0.266 nan 8.230 nan 0.000 0.415 29 V N 5.628 125.631 119.914 0.148 0.000 2.398 29 V HA 0.391 4.511 4.120 -0.000 0.000 0.286 29 V C -1.036 175.157 176.094 0.166 0.000 1.026 29 V CA -0.528 61.860 62.300 0.147 0.000 0.868 29 V CB 1.128 33.001 31.823 0.082 0.000 0.982 29 V HN 0.687 nan 8.190 nan 0.000 0.443 30 Y N 5.577 125.924 120.300 0.078 0.000 2.338 30 Y HA 0.726 5.276 4.550 -0.000 0.000 0.333 30 Y C -0.467 175.480 175.900 0.078 0.000 0.968 30 Y CA -0.848 57.279 58.100 0.046 0.000 1.123 30 Y CB 1.682 40.171 38.460 0.048 0.000 1.165 30 Y HN 0.564 nan 8.280 nan 0.000 0.452 31 I N 6.374 126.895 120.570 -0.082 0.000 2.468 31 I HA 0.369 4.538 4.170 -0.000 0.000 0.284 31 I C -1.203 174.868 176.117 -0.078 0.000 1.038 31 I CA -0.771 60.539 61.300 0.016 0.000 1.083 31 I CB 1.471 39.471 38.000 -0.000 0.000 1.223 31 I HN 0.629 nan 8.210 nan 0.000 0.443 32 N N 3.958 122.695 118.700 0.062 0.000 2.531 32 N HA 0.491 5.231 4.740 -0.000 0.000 0.290 32 N C 0.396 175.947 175.510 0.069 0.000 1.257 32 N CA -0.919 52.157 53.050 0.043 0.000 0.863 32 N CB 1.103 39.690 38.487 0.166 0.000 1.320 32 N HN 0.202 nan 8.380 nan 0.000 0.538 33 K N 0.332 120.763 120.400 0.051 0.000 2.001 33 K HA -0.056 4.264 4.320 -0.000 0.000 0.214 33 K C 1.473 178.117 176.600 0.073 0.000 1.050 33 K CA 1.802 58.121 56.287 0.055 0.000 0.934 33 K CB -1.016 31.511 32.500 0.044 0.000 0.718 33 K HN 0.518 nan 8.250 nan 0.000 0.443 34 I N 1.091 121.707 120.570 0.077 0.000 2.248 34 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 34 I C 2.218 178.384 176.117 0.082 0.000 1.107 34 I CA 1.581 62.924 61.300 0.072 0.000 1.373 34 I CB -0.581 37.456 38.000 0.061 0.000 1.055 34 I HN 0.153 nan 8.210 nan 0.000 0.418 35 M N -0.448 119.219 119.600 0.111 0.000 2.374 35 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 35 M C 1.039 177.491 176.300 0.254 0.000 1.067 35 M CA 1.132 56.545 55.300 0.188 0.000 1.103 35 M CB -0.364 32.391 32.600 0.258 0.000 1.402 35 M HN 0.236 nan 8.290 nan 0.000 0.444 36 N N 0.915 119.710 118.700 0.159 0.000 2.268 36 N HA 0.066 4.806 4.740 -0.000 0.000 0.204 36 N C 0.044 175.615 175.510 0.101 0.000 1.124 36 N CA 0.347 53.472 53.050 0.125 0.000 0.838 36 N CB 0.491 39.030 38.487 0.086 0.000 0.994 36 N HN 0.351 nan 8.380 nan 0.000 0.489 37 T N -2.799 111.820 114.554 0.108 0.000 2.908 37 T HA 0.184 4.534 4.350 -0.000 0.000 0.290 37 T C -0.043 174.712 174.700 0.091 0.000 1.034 37 T CA -0.797 61.354 62.100 0.085 0.000 1.010 37 T CB 2.420 71.331 68.868 0.071 0.000 1.068 37 T HN -0.082 nan 8.240 nan 0.000 0.481 38 Q N 3.392 123.236 119.800 0.072 0.000 2.388 38 Q HA 0.128 4.468 4.340 -0.000 0.000 0.246 38 Q C 0.142 176.184 176.000 0.071 0.000 1.246 38 Q CA -0.505 55.338 55.803 0.068 0.000 0.895 38 Q CB -0.243 28.526 28.738 0.051 0.000 1.510 38 Q HN 0.656 nan 8.270 nan 0.000 0.503 39 L N 2.376 123.650 121.223 0.085 0.000 2.380 39 L HA 0.252 4.592 4.340 -0.000 0.000 0.273 39 L C 0.848 177.763 176.870 0.076 0.000 1.138 39 L CA -0.059 54.827 54.840 0.078 0.000 0.832 39 L CB 0.351 42.456 42.059 0.076 0.000 1.124 39 L HN 0.486 nan 8.230 nan 0.000 0.454 40 T N -0.695 113.902 114.554 0.071 0.000 3.015 40 T HA 0.143 4.493 4.350 -0.000 0.000 0.250 40 T C 0.564 175.309 174.700 0.076 0.000 1.057 40 T CA -0.086 62.055 62.100 0.068 0.000 1.066 40 T CB 0.152 69.054 68.868 0.057 0.000 0.959 40 T HN 0.807 nan 8.240 nan 0.000 0.488 41 K N 0.769 121.219 120.400 0.084 0.000 2.400 41 K HA 0.706 5.026 4.320 -0.000 0.000 0.246 41 K C -3.470 173.195 176.600 0.109 0.000 0.995 41 K CA -2.614 53.730 56.287 0.095 0.000 0.840 41 K CB 0.934 33.490 32.500 0.092 0.000 1.293 41 K HN -0.241 nan 8.250 nan 0.000 0.445 42 P HA 0.001 nan 4.420 nan 0.000 0.266 42 P C -0.935 176.479 177.300 0.191 0.000 1.215 42 P CA -0.397 62.792 63.100 0.148 0.000 0.763 42 P CB 0.848 32.651 31.700 0.172 0.000 0.806 43 V N 5.929 125.902 119.914 0.098 0.000 2.547 43 V HA 0.533 4.653 4.120 -0.000 0.000 0.299 43 V C -0.651 175.396 176.094 -0.079 0.000 1.040 43 V CA -0.962 61.378 62.300 0.066 0.000 0.913 43 V CB 1.460 33.304 31.823 0.034 0.000 0.992 43 V HN 0.363 nan 8.190 nan 0.000 0.449 44 L N 7.810 128.933 121.223 -0.166 0.000 2.365 44 L HA 0.798 5.138 4.340 -0.000 0.000 0.273 44 L C -0.582 176.206 176.870 -0.137 0.000 1.000 44 L CA -0.594 54.027 54.840 -0.365 0.000 0.819 44 L CB 1.601 43.098 42.059 -0.937 0.000 1.284 44 L HN 0.895 nan 8.230 nan 0.000 0.418 45 M N 4.592 124.094 119.600 -0.163 0.000 2.569 45 M HA 0.699 5.179 4.480 -0.000 0.000 0.279 45 M C -1.606 174.571 176.300 -0.206 0.000 1.253 45 M CA -0.773 54.487 55.300 -0.067 0.000 0.867 45 M CB 2.622 35.198 32.600 -0.040 0.000 1.727 45 M HN 0.632 nan 8.290 nan 0.000 0.467 46 M N 1.235 120.735 119.600 -0.167 0.000 2.682 46 M HA 0.888 5.368 4.480 -0.000 0.000 0.272 46 M C -1.941 174.217 176.300 -0.237 0.000 1.232 46 M CA -0.588 54.492 55.300 -0.368 0.000 0.849 46 M CB 2.478 34.933 32.600 -0.243 0.000 1.695 46 M HN 0.975 nan 8.290 nan 0.000 0.481 47 F N -1.049 118.768 119.950 -0.222 0.000 2.985 47 F HA 0.664 5.191 4.527 -0.000 0.000 0.322 47 F C -1.868 173.808 175.800 -0.206 0.000 1.187 47 F CA -1.221 56.653 58.000 -0.210 0.000 0.910 47 F CB 1.028 39.848 39.000 -0.299 0.000 1.411 47 F HN 0.704 nan 8.300 nan 0.000 0.492 48 N N 0.675 119.496 118.700 0.202 0.000 2.405 48 N HA 0.779 5.519 4.740 -0.000 0.000 0.299 48 N C -1.372 174.133 175.510 -0.008 0.000 1.075 48 N CA -0.860 52.209 53.050 0.032 0.000 0.884 48 N CB 2.370 40.786 38.487 -0.118 0.000 1.194 48 N HN 0.660 nan 8.380 nan 0.000 0.491 49 I N -1.688 118.858 120.570 -0.040 0.000 2.647 49 I HA 0.407 4.577 4.170 -0.000 0.000 0.295 49 I C 0.534 176.674 176.117 0.039 0.000 1.078 49 I CA -0.842 60.373 61.300 -0.143 0.000 1.048 49 I CB 2.187 40.008 38.000 -0.299 0.000 1.239 49 I HN 0.385 nan 8.210 nan 0.000 0.421 50 S N 3.094 118.881 115.700 0.144 0.000 2.365 50 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 50 S C 0.921 175.707 174.600 0.310 0.000 1.039 50 S CA 1.598 59.953 58.200 0.258 0.000 1.033 50 S CB -0.298 63.075 63.200 0.289 0.000 0.887 50 S HN 0.964 nan 8.310 nan 0.000 0.447 51 G N 1.140 110.141 108.800 0.334 0.000 3.251 51 G HA2 0.592 4.552 3.960 -0.000 0.000 0.248 51 G HA3 0.592 4.552 3.960 -0.000 0.000 0.248 51 G C -3.200 171.581 174.900 -0.197 0.000 1.320 51 G CA -1.248 43.909 45.100 0.095 0.000 0.982 51 G HN 0.108 nan 8.290 nan 0.000 0.575 52 P HA 0.407 nan 4.420 nan 0.000 0.287 52 P C -0.557 176.743 177.300 0.000 0.000 1.270 52 P CA -0.437 62.385 63.100 -0.463 0.000 0.844 52 P CB 1.993 33.355 31.700 -0.563 0.000 1.068 53 I N 3.592 124.222 120.570 0.099 0.000 2.396 53 I HA 0.135 4.305 4.170 -0.000 0.000 0.289 53 I C 1.965 178.240 176.117 0.262 0.000 1.056 53 I CA 0.007 61.415 61.300 0.180 0.000 1.365 53 I CB 0.471 38.559 38.000 0.147 0.000 1.407 53 I HN 0.535 nan 8.210 nan 0.000 0.509 54 R N 3.966 124.561 120.500 0.159 0.000 2.312 54 R HA 0.179 4.519 4.340 -0.000 0.000 0.205 54 R C 0.064 176.444 176.300 0.133 0.000 0.904 54 R CA 0.031 56.273 56.100 0.238 0.000 1.052 54 R CB 0.379 30.759 30.300 0.132 0.000 1.014 54 R HN 0.652 nan 8.270 nan 0.000 0.503 55 S N -0.860 114.673 115.700 -0.279 0.000 2.586 55 S HA 0.433 4.903 4.470 -0.000 0.000 0.277 55 S C -1.215 173.041 174.600 -0.573 0.000 1.131 55 S CA -0.895 57.052 58.200 -0.421 0.000 0.848 55 S CB 2.133 65.275 63.200 -0.096 0.000 1.091 55 S HN -0.067 nan 8.310 nan 0.000 0.453 56 V N 2.298 121.875 119.914 -0.562 0.000 2.638 56 V HA 0.899 5.019 4.120 -0.000 0.000 0.306 56 V C 0.072 176.014 176.094 -0.253 0.000 1.052 56 V CA 0.177 62.150 62.300 -0.545 0.000 0.885 56 V CB 1.782 33.201 31.823 -0.673 0.000 0.999 56 V HN 1.358 nan 8.190 nan 0.000 0.424 57 T N 1.910 116.309 114.554 -0.257 0.000 2.865 57 T HA 0.687 5.037 4.350 -0.000 0.000 0.294 57 T C -0.787 173.883 174.700 -0.049 0.000 1.119 57 T CA -1.077 60.981 62.100 -0.070 0.000 1.007 57 T CB 2.128 70.963 68.868 -0.054 0.000 1.225 57 T HN 0.493 nan 8.240 nan 0.000 0.515 58 R N 1.277 121.802 120.500 0.042 0.000 2.310 58 R HA 0.501 4.841 4.340 -0.000 0.000 0.324 58 R C -0.207 176.097 176.300 0.006 0.000 0.955 58 R CA -1.035 55.092 56.100 0.045 0.000 0.830 58 R CB 1.238 31.588 30.300 0.083 0.000 1.154 58 R HN 0.388 nan 8.270 nan 0.000 0.458 59 K N 1.635 122.036 120.400 0.001 0.000 2.109 59 K HA 0.164 4.484 4.320 -0.000 0.000 0.243 59 K C 0.003 176.599 176.600 -0.007 0.000 1.006 59 K CA -0.874 55.411 56.287 -0.003 0.000 0.917 59 K CB 0.912 33.414 32.500 0.003 0.000 1.081 59 K HN 0.392 nan 8.250 nan 0.000 0.468 60 N N 0.697 119.391 118.700 -0.011 0.000 2.488 60 N HA -0.005 4.735 4.740 -0.000 0.000 0.274 60 N C 0.307 175.810 175.510 -0.011 0.000 1.111 60 N CA 0.068 53.109 53.050 -0.016 0.000 0.974 60 N CB 0.474 38.951 38.487 -0.017 0.000 1.089 60 N HN 0.309 nan 8.380 nan 0.000 0.465 61 N N 2.381 121.074 118.700 -0.012 0.000 2.247 61 N HA -0.203 4.537 4.740 -0.000 0.000 0.189 61 N C 0.705 176.208 175.510 -0.011 0.000 1.009 61 N CA 0.831 53.877 53.050 -0.006 0.000 0.872 61 N CB -0.221 38.262 38.487 -0.006 0.000 0.980 61 N HN 0.576 nan 8.380 nan 0.000 0.436 62 N N 0.307 118.998 118.700 -0.016 0.000 2.258 62 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 62 N C 1.406 176.901 175.510 -0.024 0.000 1.012 62 N CA 0.533 53.571 53.050 -0.020 0.000 0.870 62 N CB -0.238 38.237 38.487 -0.021 0.000 0.977 62 N HN 0.217 nan 8.380 nan 0.000 0.434 63 L N 1.747 122.958 121.223 -0.020 0.000 2.131 63 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 63 L C 2.442 179.295 176.870 -0.029 0.000 1.092 63 L CA 1.330 56.156 54.840 -0.024 0.000 0.759 63 L CB -0.527 41.525 42.059 -0.012 0.000 0.903 63 L HN 0.080 nan 8.230 nan 0.000 0.435 64 R N -0.711 119.776 120.500 -0.021 0.000 2.073 64 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 64 R C 1.994 178.271 176.300 -0.039 0.000 1.134 64 R CA 1.904 57.988 56.100 -0.026 0.000 0.952 64 R CB -0.372 29.918 30.300 -0.016 0.000 0.850 64 R HN 0.362 nan 8.270 nan 0.000 0.433 65 D N -0.065 120.313 120.400 -0.036 0.000 2.224 65 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 65 D C 1.869 178.139 176.300 -0.051 0.000 0.965 65 D CA 0.789 54.764 54.000 -0.041 0.000 0.852 65 D CB -0.002 40.778 40.800 -0.033 0.000 0.947 65 D HN 0.172 nan 8.370 nan 0.000 0.494 66 R N -0.256 120.210 120.500 -0.055 0.000 2.115 66 R HA 0.040 4.380 4.340 -0.000 0.000 0.226 66 R C 2.250 178.489 176.300 -0.102 0.000 1.100 66 R CA 0.619 56.676 56.100 -0.072 0.000 0.980 66 R CB 0.019 30.277 30.300 -0.069 0.000 0.875 66 R HN 0.242 nan 8.270 nan 0.000 0.445 67 I N 0.144 120.656 120.570 -0.097 0.000 2.400 67 I HA -0.159 4.011 4.170 -0.000 0.000 0.248 67 I C 2.304 178.378 176.117 -0.072 0.000 1.109 67 I CA 0.824 62.052 61.300 -0.120 0.000 1.425 67 I CB -0.146 37.806 38.000 -0.080 0.000 1.094 67 I HN 0.080 nan 8.210 nan 0.000 0.425 68 K N 0.739 121.104 120.400 -0.059 0.000 2.504 68 K HA -0.051 4.269 4.320 -0.000 0.000 0.195 68 K C 1.842 178.413 176.600 -0.047 0.000 1.036 68 K CA 0.794 57.049 56.287 -0.054 0.000 0.984 68 K CB 0.214 32.670 32.500 -0.073 0.000 0.788 68 K HN 0.172 nan 8.250 nan 0.000 0.488 69 S N 0.722 116.392 115.700 -0.050 0.000 2.355 69 S HA 0.012 4.482 4.470 -0.000 0.000 0.216 69 S C 1.485 176.065 174.600 -0.033 0.000 1.037 69 S CA 0.606 58.779 58.200 -0.046 0.000 0.955 69 S CB -0.033 63.135 63.200 -0.053 0.000 0.877 69 S HN 0.234 nan 8.310 nan 0.000 0.488 70 K N 0.887 121.263 120.400 -0.041 0.000 2.228 70 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 70 K C 1.705 178.372 176.600 0.113 0.000 1.045 70 K CA 1.131 57.420 56.287 0.003 0.000 0.931 70 K CB -0.178 32.270 32.500 -0.087 0.000 0.727 70 K HN 0.168 nan 8.250 nan 0.000 0.458 71 V N 0.186 120.192 119.914 0.153 0.000 2.403 71 V HA -0.121 3.999 4.120 -0.000 0.000 0.239 71 V C 1.494 177.678 176.094 0.150 0.000 1.041 71 V CA 1.266 63.731 62.300 0.274 0.000 1.051 71 V CB -0.307 31.697 31.823 0.302 0.000 0.704 71 V HN 0.181 nan 8.190 nan 0.000 0.472 72 D N 0.189 120.617 120.400 0.046 0.000 2.228 72 D HA -0.210 4.430 4.640 -0.000 0.000 0.203 72 D C 2.128 178.430 176.300 0.003 0.000 0.988 72 D CA 1.478 55.478 54.000 -0.000 0.000 0.864 72 D CB 0.007 40.771 40.800 -0.060 0.000 0.928 72 D HN 0.628 nan 8.370 nan 0.000 0.469 73 E N -0.012 120.168 120.200 -0.032 0.000 2.072 73 E HA -0.155 4.194 4.350 -0.000 0.000 0.190 73 E C 1.826 178.349 176.600 -0.127 0.000 0.982 73 E CA 0.559 56.913 56.400 -0.076 0.000 0.803 73 E CB 0.200 29.846 29.700 -0.089 0.000 0.755 73 E HN 0.099 nan 8.360 nan 0.000 0.453 74 Q N -0.235 119.445 119.800 -0.199 0.000 2.096 74 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 74 Q C 1.897 177.692 176.000 -0.342 0.000 0.982 74 Q CA 1.275 56.849 55.803 -0.381 0.000 0.850 74 Q CB -0.260 28.020 28.738 -0.764 0.000 0.901 74 Q HN 0.364 nan 8.270 nan 0.000 0.422 75 F N 0.542 120.349 119.950 -0.238 0.000 2.710 75 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 75 F C 1.981 177.650 175.800 -0.219 0.000 1.137 75 F CA 0.518 58.378 58.000 -0.232 0.000 1.444 75 F CB 0.150 39.047 39.000 -0.172 0.000 1.111 75 F HN 0.059 nan 8.300 nan 0.000 0.580 76 D N 0.398 120.777 120.400 -0.035 0.000 2.277 76 D HA -0.107 4.533 4.640 -0.000 0.000 0.208 76 D C 1.575 177.801 176.300 -0.122 0.000 0.962 76 D CA 0.711 54.666 54.000 -0.074 0.000 0.865 76 D CB 0.184 40.944 40.800 -0.068 0.000 0.939 76 D HN 0.380 nan 8.370 nan 0.000 0.510 77 Q N -0.446 119.260 119.800 -0.158 0.000 2.444 77 Q HA 0.118 4.458 4.340 -0.000 0.000 0.206 77 Q C 1.758 177.646 176.000 -0.186 0.000 0.948 77 Q CA 0.429 56.136 55.803 -0.160 0.000 0.946 77 Q CB -0.027 28.613 28.738 -0.163 0.000 1.027 77 Q HN 0.288 nan 8.270 nan 0.000 0.513 78 L N -0.486 120.601 121.223 -0.228 0.000 2.425 78 L HA 0.214 4.554 4.340 -0.000 0.000 0.215 78 L C 0.781 177.529 176.870 -0.203 0.000 1.065 78 L CA 0.006 54.680 54.840 -0.277 0.000 0.842 78 L CB 0.167 41.923 42.059 -0.505 0.000 1.033 78 L HN 0.238 nan 8.230 nan 0.000 0.474 79 E N 1.094 121.192 120.200 -0.170 0.000 2.391 79 E HA 0.142 4.492 4.350 -0.000 0.000 0.255 79 E C -0.021 176.452 176.600 -0.213 0.000 1.187 79 E CA -0.080 56.225 56.400 -0.158 0.000 0.941 79 E CB 0.601 30.221 29.700 -0.133 0.000 1.010 79 E HN 0.121 nan 8.360 nan 0.000 0.458 80 R N 1.512 121.821 120.500 -0.318 0.000 2.647 80 R HA 0.084 4.424 4.340 -0.000 0.000 0.295 80 R C -0.973 174.756 176.300 -0.952 0.000 1.267 80 R CA -0.308 55.455 56.100 -0.562 0.000 1.386 80 R CB 0.414 30.360 30.300 -0.589 0.000 1.309 80 R HN 0.448 nan 8.270 nan 0.000 0.692 81 D N 0.532 120.589 120.400 -0.571 0.000 2.401 81 D HA -0.074 4.566 4.640 -0.000 0.000 0.254 81 D C -0.232 175.676 176.300 -0.653 0.000 1.192 81 D CA 0.390 54.070 54.000 -0.533 0.000 0.885 81 D CB 0.620 41.297 40.800 -0.205 0.000 1.147 81 D HN 0.247 nan 8.370 nan 0.000 0.478 82 Y N 1.709 121.270 120.300 -1.232 0.000 2.751 82 Y HA 0.183 4.733 4.550 -0.000 0.000 0.289 82 Y C 0.910 176.555 175.900 -0.425 0.000 1.110 82 Y CA -0.812 56.722 58.100 -0.942 0.000 1.251 82 Y CB -0.396 37.336 38.460 -1.213 0.000 1.178 82 Y HN 0.117 nan 8.280 nan 0.000 0.540 83 S N 0.448 116.137 115.700 -0.017 0.000 2.584 83 S HA 0.031 4.501 4.470 -0.000 0.000 0.270 83 S C -0.103 174.567 174.600 0.117 0.000 1.346 83 S CA -0.476 57.853 58.200 0.214 0.000 1.018 83 S CB 0.447 63.765 63.200 0.195 0.000 0.899 83 S HN 0.203 nan 8.310 nan 0.000 0.542 84 D N 2.354 122.836 120.400 0.137 0.000 2.371 84 D HA 0.221 4.861 4.640 -0.000 0.000 0.256 84 D C 0.417 176.755 176.300 0.064 0.000 1.193 84 D CA 0.262 54.316 54.000 0.091 0.000 0.881 84 D CB 0.524 41.385 40.800 0.102 0.000 1.143 84 D HN 0.416 nan 8.370 nan 0.000 0.473 85 Q N 1.307 121.132 119.800 0.041 0.000 2.298 85 Q HA 0.696 5.036 4.340 -0.000 0.000 0.181 85 Q C 0.146 176.165 176.000 0.031 0.000 1.004 85 Q CA -0.556 55.265 55.803 0.029 0.000 1.050 85 Q CB 1.357 30.101 28.738 0.011 0.000 1.254 85 Q HN 0.397 nan 8.270 nan 0.000 0.531 86 M N -0.826 118.789 119.600 0.024 0.000 3.163 86 M HA 0.435 4.915 4.480 -0.000 0.000 0.287 86 M C -1.405 174.904 176.300 0.015 0.000 1.323 86 M CA -0.771 54.543 55.300 0.024 0.000 0.760 86 M CB 1.946 34.564 32.600 0.030 0.000 1.770 86 M HN 0.459 nan 8.290 nan 0.000 0.431 94 K N 3.391 123.846 120.400 0.092 0.000 2.371 94 K HA 0.219 4.539 4.320 -0.000 0.000 0.228 94 K C -1.542 174.981 176.600 -0.127 0.000 1.711 94 K CA -0.468 55.803 56.287 -0.027 0.000 0.735 94 K CB 0.238 32.753 32.500 0.025 0.000 1.390 94 K HN 0.421 nan 8.250 nan 0.000 0.390 95 Y N 0.200 120.329 120.300 -0.285 0.000 2.385 95 Y HA 0.192 4.742 4.550 -0.000 0.000 0.346 95 Y C 0.492 176.090 175.900 -0.504 0.000 1.270 95 Y CA 0.932 58.886 58.100 -0.243 0.000 1.472 95 Y CB 0.463 38.844 38.460 -0.131 0.000 1.354 95 Y HN 0.285 nan 8.280 nan 0.000 0.611 96 F N 0.649 120.700 119.950 0.167 0.000 2.514 96 F HA 0.258 4.785 4.527 -0.000 0.000 0.374 96 F C -0.111 175.815 175.800 0.209 0.000 1.532 96 F CA -0.984 57.110 58.000 0.156 0.000 1.082 96 F CB 0.249 39.313 39.000 0.107 0.000 1.610 96 F HN 0.210 nan 8.300 nan 0.000 0.531 97 K N 1.028 121.627 120.400 0.331 0.000 2.344 97 K HA 0.166 4.486 4.320 -0.000 0.000 0.260 97 K C -0.262 176.426 176.600 0.148 0.000 0.988 97 K CA 0.272 56.708 56.287 0.248 0.000 0.909 97 K CB 0.598 33.212 32.500 0.191 0.000 0.968 97 K HN 0.280 nan 8.250 nan 0.000 0.505 98 D N -0.797 119.605 120.400 0.004 0.000 2.764 98 D HA -0.051 4.589 4.640 -0.000 0.000 0.293 98 D C 0.150 176.333 176.300 -0.195 0.000 1.287 98 D CA -0.291 53.583 54.000 -0.209 0.000 0.768 98 D CB 0.748 41.139 40.800 -0.683 0.000 1.288 98 D HN 0.661 nan 8.370 nan 0.000 0.426 99 E N 0.181 120.221 120.200 -0.267 0.000 2.016 99 E HA -0.179 4.171 4.350 -0.000 0.000 0.190 99 E C 1.292 177.803 176.600 -0.148 0.000 0.985 99 E CA 1.147 57.405 56.400 -0.237 0.000 0.802 99 E CB -0.250 29.219 29.700 -0.385 0.000 0.762 99 E HN 0.386 nan 8.360 nan 0.000 0.448 100 H N -0.084 118.938 119.070 -0.080 0.000 2.333 100 H HA 0.025 4.581 4.556 -0.000 0.000 0.302 100 H C 0.735 176.179 175.328 0.192 0.000 1.075 100 H CA 1.437 57.535 56.048 0.083 0.000 1.348 100 H CB -0.294 29.557 29.762 0.147 0.000 1.393 100 H HN 0.374 nan 8.280 nan 0.000 0.509 101 Y N -1.033 119.465 120.300 0.330 0.000 2.772 101 Y HA 0.703 5.253 4.550 -0.000 0.000 0.324 101 Y C -0.500 175.463 175.900 0.106 0.000 1.169 101 Y CA -2.282 55.927 58.100 0.183 0.000 1.198 101 Y CB 0.971 39.548 38.460 0.195 0.000 1.402 101 Y HN -0.226 nan 8.280 nan 0.000 0.577 102 S N 0.249 116.264 115.700 0.525 0.000 2.550 102 S HA 0.480 4.950 4.470 -0.000 0.000 0.274 102 S C -1.752 172.926 174.600 0.130 0.000 1.110 102 S CA -0.772 57.619 58.200 0.317 0.000 1.013 102 S CB 0.920 64.208 63.200 0.147 0.000 1.152 102 S HN 0.616 nan 8.310 nan 0.000 0.450 103 V N 2.307 122.302 119.914 0.134 0.000 2.547 103 V HA 0.844 4.964 4.120 -0.000 0.000 0.299 103 V C 0.069 176.111 176.094 -0.085 0.000 1.040 103 V CA -0.540 61.764 62.300 0.006 0.000 0.913 103 V CB 2.008 33.880 31.823 0.081 0.000 0.992 103 V HN 0.771 nan 8.190 nan 0.000 0.449 104 S N 2.472 118.045 115.700 -0.212 0.000 2.614 104 S HA 0.416 4.886 4.470 -0.000 0.000 0.288 104 S C -0.987 173.536 174.600 -0.128 0.000 1.137 104 S CA -0.466 57.541 58.200 -0.322 0.000 0.992 104 S CB 1.123 63.953 63.200 -0.618 0.000 1.026 104 S HN 0.966 nan 8.310 nan 0.000 0.486 105 C N 8.333 127.646 119.300 0.021 0.000 2.301 105 C HA 0.696 5.156 4.460 -0.000 0.000 0.313 105 C C -0.533 174.556 174.990 0.165 0.000 1.121 105 C CA -0.463 58.609 59.018 0.089 0.000 1.507 105 C CB -0.434 27.420 27.740 0.189 0.000 1.975 105 C HN 0.866 nan 8.230 nan 0.000 0.425 106 Q N 3.276 123.147 119.800 0.118 0.000 2.297 106 Q HA 0.298 4.638 4.340 -0.000 0.000 0.268 106 Q C -0.617 175.411 176.000 0.047 0.000 1.045 106 Q CA -0.606 55.267 55.803 0.117 0.000 0.861 106 Q CB 0.920 29.669 28.738 0.018 0.000 1.344 106 Q HN 0.773 nan 8.270 nan 0.000 0.452 107 N N 0.489 119.091 118.700 -0.163 0.000 2.394 107 N HA 0.048 4.788 4.740 -0.000 0.000 0.288 107 N C 1.345 176.683 175.510 -0.287 0.000 1.272 107 N CA 0.627 53.325 53.050 -0.588 0.000 1.004 107 N CB -0.094 38.098 38.487 -0.492 0.000 1.393 107 N HN 0.834 nan 8.380 nan 0.000 0.488 108 G N 2.517 111.193 108.800 -0.207 0.000 3.515 108 G HA2 -0.537 3.423 3.960 -0.000 0.000 0.339 108 G HA3 -0.537 3.423 3.960 -0.000 0.000 0.339 108 G C 1.502 176.383 174.900 -0.032 0.000 1.554 108 G CA 1.768 46.834 45.100 -0.057 0.000 1.684 108 G HN 0.691 nan 8.290 nan 0.000 1.168 109 S N 0.178 115.848 115.700 -0.051 0.000 2.387 109 S HA -0.149 4.321 4.470 -0.000 0.000 0.230 109 S C 2.296 176.889 174.600 -0.012 0.000 1.035 109 S CA 2.433 60.618 58.200 -0.025 0.000 1.014 109 S CB -0.743 62.432 63.200 -0.041 0.000 0.836 109 S HN 0.659 nan 8.310 nan 0.000 0.466 110 V N 2.206 122.099 119.914 -0.034 0.000 2.392 110 V HA -0.145 3.974 4.120 -0.000 0.000 0.249 110 V C 2.490 178.592 176.094 0.013 0.000 1.059 110 V CA 1.748 64.039 62.300 -0.015 0.000 1.051 110 V CB -1.151 30.655 31.823 -0.028 0.000 0.658 110 V HN 0.493 nan 8.190 nan 0.000 0.455 111 L N 0.390 121.621 121.223 0.014 0.000 2.042 111 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 111 L C 2.362 179.328 176.870 0.161 0.000 1.076 111 L CA 2.106 56.971 54.840 0.042 0.000 0.749 111 L CB -0.907 41.171 42.059 0.031 0.000 0.893 111 L HN 0.237 nan 8.230 nan 0.000 0.432 112 K N -0.585 119.901 120.400 0.143 0.000 1.991 112 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 112 K C 2.217 178.894 176.600 0.128 0.000 1.049 112 K CA 1.981 58.357 56.287 0.149 0.000 0.932 112 K CB -0.254 32.288 32.500 0.070 0.000 0.717 112 K HN 0.648 nan 8.250 nan 0.000 0.441 113 S N 0.732 116.479 115.700 0.078 0.000 2.383 113 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 113 S C 1.521 176.165 174.600 0.074 0.000 1.030 113 S CA 1.124 59.359 58.200 0.059 0.000 1.002 113 S CB -0.119 63.100 63.200 0.033 0.000 0.829 113 S HN 0.246 nan 8.310 nan 0.000 0.467 114 K N -0.278 120.173 120.400 0.084 0.000 2.370 114 K HA 0.304 4.624 4.320 -0.000 0.000 0.194 114 K C 1.330 177.997 176.600 0.112 0.000 1.070 114 K CA 0.023 56.353 56.287 0.072 0.000 0.998 114 K CB -0.775 31.744 32.500 0.033 0.000 0.911 114 K HN 0.352 nan 8.250 nan 0.000 0.533 115 F N 2.826 122.777 119.950 0.001 0.000 2.198 115 F HA -0.493 4.034 4.527 -0.000 0.000 0.263 115 F C 2.233 178.036 175.800 0.004 0.000 1.113 115 F CA 2.842 60.840 58.000 -0.003 0.000 1.493 115 F CB -0.773 38.229 39.000 0.003 0.000 0.848 115 F HN 0.178 nan 8.300 nan 0.000 0.488 116 A N -0.438 122.580 122.820 0.330 0.000 1.894 116 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 116 A C 1.199 178.828 177.584 0.075 0.000 1.237 116 A CA 2.056 54.219 52.037 0.210 0.000 0.660 116 A CB -1.020 18.065 19.000 0.141 0.000 0.835 116 A HN 0.423 nan 8.150 nan 0.000 0.461 117 K N -0.378 120.044 120.400 0.037 0.000 2.323 117 K HA 0.042 4.362 4.320 -0.000 0.000 0.262 117 K C -0.598 175.989 176.600 -0.022 0.000 1.238 117 K CA 0.492 56.783 56.287 0.007 0.000 1.249 117 K CB -0.511 31.994 32.500 0.008 0.000 0.805 117 K HN 0.336 nan 8.250 nan 0.000 0.489 118 I N 4.939 125.505 120.570 -0.007 0.000 2.692 118 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 118 I C -0.155 175.971 176.117 0.015 0.000 1.191 118 I CA -0.057 61.237 61.300 -0.011 0.000 1.128 118 I CB 0.510 38.507 38.000 -0.005 0.000 1.585 118 I HN 0.515 nan 8.210 nan 0.000 0.558 119 L N 3.901 125.167 121.223 0.071 0.000 2.627 119 L HA 0.151 4.491 4.340 -0.000 0.000 0.233 119 L C 1.591 178.575 176.870 0.190 0.000 1.144 119 L CA 0.627 55.516 54.840 0.082 0.000 0.892 119 L CB -0.800 41.275 42.059 0.026 0.000 1.039 119 L HN 0.427 nan 8.230 nan 0.000 0.442 120 K N -0.527 119.965 120.400 0.153 0.000 2.417 120 K HA 0.125 4.445 4.320 -0.000 0.000 0.196 120 K C 0.594 177.225 176.600 0.051 0.000 1.023 120 K CA -0.101 56.246 56.287 0.099 0.000 1.122 120 K CB 0.361 32.815 32.500 -0.076 0.000 0.850 120 K HN 0.026 nan 8.250 nan 0.000 0.521 121 S N 1.096 116.812 115.700 0.027 0.000 3.641 121 S HA -0.192 4.278 4.470 -0.000 0.000 0.346 121 S C -0.168 174.422 174.600 -0.018 0.000 1.074 121 S CA 0.663 58.843 58.200 -0.034 0.000 1.026 121 S CB -1.416 61.765 63.200 -0.032 0.000 0.908 121 S HN 0.569 nan 8.310 nan 0.000 0.479 122 H N 0.618 119.628 119.070 -0.101 0.000 2.452 122 H HA 0.385 4.941 4.556 -0.000 0.000 0.240 122 H C 0.611 175.894 175.328 -0.076 0.000 1.498 122 H CA 0.041 56.038 56.048 -0.086 0.000 1.142 122 H CB -0.102 29.590 29.762 -0.116 0.000 1.599 122 H HN 0.516 nan 8.280 nan 0.000 0.527 123 D N -0.739 119.544 120.400 -0.194 0.000 2.394 123 D HA -0.142 4.498 4.640 -0.000 0.000 0.237 123 D C 1.285 177.517 176.300 -0.113 0.000 1.028 123 D CA 0.340 54.227 54.000 -0.189 0.000 0.937 123 D CB -0.709 39.908 40.800 -0.305 0.000 1.072 123 D HN 0.452 nan 8.370 nan 0.000 0.457 124 Y N 1.432 121.686 120.300 -0.076 0.000 2.723 124 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 124 Y C 1.774 177.619 175.900 -0.092 0.000 1.159 124 Y CA 0.732 58.794 58.100 -0.062 0.000 1.442 124 Y CB -0.591 37.846 38.460 -0.038 0.000 0.959 124 Y HN 0.222 nan 8.280 nan 0.000 0.581 125 T N -3.593 110.930 114.554 -0.053 0.000 3.081 125 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 125 T C 0.254 174.944 174.700 -0.015 0.000 1.100 125 T CA 0.131 62.164 62.100 -0.111 0.000 1.038 125 T CB -0.552 68.048 68.868 -0.446 0.000 0.962 125 T HN 0.479 nan 8.240 nan 0.000 0.516 126 D N 2.039 122.448 120.400 0.014 0.000 4.376 126 D HA -0.275 4.365 4.640 -0.000 0.000 0.298 126 D C 0.589 176.929 176.300 0.066 0.000 2.392 126 D CA 1.097 55.128 54.000 0.051 0.000 1.034 126 D CB -0.437 40.402 40.800 0.066 0.000 1.103 126 D HN 0.291 nan 8.370 nan 0.000 1.270 127 K N -0.840 119.603 120.400 0.072 0.000 2.063 127 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 127 K C 1.785 178.441 176.600 0.092 0.000 1.048 127 K CA 1.731 58.068 56.287 0.083 0.000 0.928 127 K CB -0.248 32.290 32.500 0.064 0.000 0.713 127 K HN 0.253 nan 8.250 nan 0.000 0.442 128 K N 0.302 120.749 120.400 0.078 0.000 2.520 128 K HA -0.096 4.224 4.320 -0.000 0.000 0.197 128 K C 1.847 178.513 176.600 0.111 0.000 1.044 128 K CA 1.049 57.385 56.287 0.082 0.000 0.938 128 K CB -0.052 32.486 32.500 0.063 0.000 0.767 128 K HN 0.086 nan 8.250 nan 0.000 0.481 129 S N -1.275 114.507 115.700 0.136 0.000 2.731 129 S HA 0.049 4.519 4.470 -0.000 0.000 0.244 129 S C 1.498 176.303 174.600 0.342 0.000 1.084 129 S CA 0.191 58.515 58.200 0.207 0.000 0.877 129 S CB -0.105 63.185 63.200 0.150 0.000 0.798 129 S HN 0.231 nan 8.310 nan 0.000 0.496 130 I N 1.473 122.212 120.570 0.282 0.000 2.286 130 I HA 0.217 4.387 4.170 -0.000 0.000 0.245 130 I C 2.102 178.398 176.117 0.299 0.000 1.104 130 I CA 1.653 63.168 61.300 0.360 0.000 1.397 130 I CB -1.134 37.057 38.000 0.319 0.000 1.072 130 I HN 0.169 nan 8.210 nan 0.000 0.417 131 E N 1.443 121.752 120.200 0.182 0.000 2.164 131 E HA -0.316 4.034 4.350 -0.000 0.000 0.206 131 E C 2.167 178.833 176.600 0.111 0.000 1.032 131 E CA 2.234 58.693 56.400 0.098 0.000 0.832 131 E CB -0.532 29.218 29.700 0.083 0.000 0.742 131 E HN 0.651 nan 8.360 nan 0.000 0.460 132 A N -0.280 122.668 122.820 0.213 0.000 1.842 132 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 132 A C 2.077 179.806 177.584 0.243 0.000 1.206 132 A CA 2.015 54.206 52.037 0.257 0.000 0.630 132 A CB -1.425 17.692 19.000 0.196 0.000 0.839 132 A HN 0.473 nan 8.150 nan 0.000 0.447 133 Y N 0.488 120.873 120.300 0.140 0.000 2.283 133 Y HA -0.239 4.311 4.550 -0.000 0.000 0.285 133 Y C 2.427 178.263 175.900 -0.106 0.000 1.176 133 Y CA 1.809 59.965 58.100 0.094 0.000 1.229 133 Y CB -0.563 38.010 38.460 0.188 0.000 0.975 133 Y HN 0.426 nan 8.280 nan 0.000 0.537 134 E N -0.069 120.043 120.200 -0.146 0.000 2.150 134 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 134 E C 2.060 178.527 176.600 -0.221 0.000 0.985 134 E CA 1.161 57.339 56.400 -0.369 0.000 0.814 134 E CB -0.098 29.339 29.700 -0.438 0.000 0.752 134 E HN 0.446 nan 8.360 nan 0.000 0.466 135 K N -0.755 119.509 120.400 -0.228 0.000 2.211 135 K HA -0.023 4.296 4.320 -0.000 0.000 0.201 135 K C 0.905 177.232 176.600 -0.454 0.000 1.052 135 K CA 0.737 56.777 56.287 -0.412 0.000 0.973 135 K CB 0.150 32.245 32.500 -0.676 0.000 0.766 135 K HN 0.143 nan 8.250 nan 0.000 0.466 136 Y N -1.196 119.092 120.300 -0.019 0.000 2.498 136 Y HA 0.143 4.693 4.550 -0.000 0.000 0.259 136 Y C 2.077 177.993 175.900 0.025 0.000 1.086 136 Y CA -0.362 57.738 58.100 -0.000 0.000 1.287 136 Y CB 0.192 38.634 38.460 -0.031 0.000 1.146 136 Y HN 0.165 nan 8.280 nan 0.000 0.523 137 C N -1.444 117.954 119.300 0.163 0.000 2.403 137 C HA 0.149 4.609 4.460 -0.000 0.000 0.380 137 C C 2.548 177.617 174.990 0.132 0.000 1.490 137 C CA -0.102 59.014 59.018 0.163 0.000 2.457 137 C CB -0.990 26.885 27.740 0.226 0.000 2.341 137 C HN 0.465 nan 8.230 nan 0.000 0.626 138 L N 3.615 124.910 121.223 0.120 0.000 2.054 138 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 138 L C -0.706 176.197 176.870 0.054 0.000 1.081 138 L CA 3.039 57.931 54.840 0.087 0.000 0.780 138 L CB -1.555 40.459 42.059 -0.076 0.000 0.893 138 L HN 0.309 nan 8.230 nan 0.000 0.438 139 P HA -0.189 nan 4.420 nan 0.000 0.222 139 P C 0.959 178.288 177.300 0.048 0.000 1.147 139 P CA 1.301 64.412 63.100 0.017 0.000 0.790 139 P CB 0.019 31.712 31.700 -0.011 0.000 0.780 140 K N -0.583 119.858 120.400 0.068 0.000 2.493 140 K HA 0.279 4.599 4.320 -0.000 0.000 0.207 140 K C 1.254 177.909 176.600 0.092 0.000 1.033 140 K CA -0.017 56.317 56.287 0.079 0.000 1.161 140 K CB -0.632 31.917 32.500 0.081 0.000 0.873 140 K HN 0.108 nan 8.250 nan 0.000 0.491 141 L N -0.846 120.433 121.223 0.094 0.000 2.948 141 L HA 0.266 4.606 4.340 -0.000 0.000 0.259 141 L C -0.172 176.764 176.870 0.111 0.000 1.136 141 L CA -0.343 54.556 54.840 0.098 0.000 0.959 141 L CB 1.137 43.253 42.059 0.096 0.000 1.370 141 L HN -0.055 nan 8.230 nan 0.000 0.552 142 V N -1.730 118.243 119.914 0.098 0.000 2.680 142 V HA 0.819 4.938 4.120 -0.000 0.000 0.309 142 V C -1.455 174.686 176.094 0.077 0.000 1.052 142 V CA -0.480 61.873 62.300 0.087 0.000 0.908 142 V CB 1.774 33.633 31.823 0.060 0.000 1.001 142 V HN 0.287 nan 8.190 nan 0.000 0.431 143 D N 1.049 121.488 120.400 0.065 0.000 2.677 143 D HA 0.322 4.962 4.640 -0.000 0.000 0.298 143 D C 0.346 176.639 176.300 -0.010 0.000 1.250 143 D CA -0.615 53.407 54.000 0.038 0.000 0.888 143 D CB 0.976 41.819 40.800 0.072 0.000 1.397 143 D HN 0.441 nan 8.370 nan 0.000 0.461 144 E N -1.024 119.165 120.200 -0.018 0.000 2.401 144 E HA -0.177 4.173 4.350 -0.000 0.000 0.204 144 E C 0.136 176.689 176.600 -0.077 0.000 1.036 144 E CA 0.857 57.234 56.400 -0.038 0.000 0.856 144 E CB -0.014 29.668 29.700 -0.029 0.000 0.770 144 E HN 0.116 nan 8.360 nan 0.000 0.527 145 R N 0.917 121.341 120.500 -0.127 0.000 3.559 145 R HA 0.144 4.484 4.340 -0.000 0.000 0.273 145 R C -0.116 176.056 176.300 -0.214 0.000 1.423 145 R CA -0.255 55.709 56.100 -0.227 0.000 1.581 145 R CB -0.487 29.554 30.300 -0.431 0.000 1.338 145 R HN 0.101 nan 8.270 nan 0.000 0.667 146 N N 0.790 119.418 118.700 -0.120 0.000 2.562 146 N HA -0.250 4.490 4.740 -0.000 0.000 0.201 146 N C 0.899 176.343 175.510 -0.109 0.000 1.043 146 N CA 1.484 54.481 53.050 -0.088 0.000 0.929 146 N CB 0.008 38.452 38.487 -0.071 0.000 0.945 146 N HN 0.461 nan 8.380 nan 0.000 0.454 147 D N -0.614 119.702 120.400 -0.140 0.000 1.851 147 D HA -0.019 4.621 4.640 -0.000 0.000 0.309 147 D C -0.261 176.056 176.300 0.028 0.000 1.070 147 D CA 0.055 53.992 54.000 -0.106 0.000 0.876 147 D CB -0.187 40.576 40.800 -0.060 0.000 1.147 147 D HN 0.263 nan 8.370 nan 0.000 0.392 148 Y N -0.525 119.791 120.300 0.028 0.000 2.905 148 Y HA -0.300 4.250 4.550 -0.000 0.000 0.159 148 Y C -0.463 175.472 175.900 0.059 0.000 1.680 148 Y CA -0.731 57.414 58.100 0.075 0.000 0.983 148 Y CB -1.305 37.182 38.460 0.044 0.000 1.567 148 Y HN 0.189 nan 8.280 nan 0.000 0.337 149 Y N 0.506 120.903 120.300 0.161 0.000 2.597 149 Y HA 0.199 4.748 4.550 -0.000 0.000 0.336 149 Y C 0.629 176.528 175.900 -0.001 0.000 1.216 149 Y CA -0.091 58.051 58.100 0.069 0.000 1.463 149 Y CB 0.486 38.983 38.460 0.062 0.000 1.303 149 Y HN 0.113 nan 8.280 nan 0.000 0.576 150 V N 3.882 123.852 119.914 0.092 0.000 2.347 150 V HA 0.526 4.645 4.120 -0.000 0.000 0.280 150 V C 0.065 176.054 176.094 -0.176 0.000 1.021 150 V CA -1.224 61.047 62.300 -0.048 0.000 0.847 150 V CB 0.865 32.661 31.823 -0.045 0.000 0.990 150 V HN 0.885 nan 8.190 nan 0.000 0.444 151 A N 5.300 127.869 122.820 -0.419 0.000 2.409 151 A HA 0.626 4.946 4.320 -0.000 0.000 0.267 151 A C -0.299 176.888 177.584 -0.662 0.000 1.127 151 A CA -0.204 51.441 52.037 -0.654 0.000 0.795 151 A CB 0.477 18.677 19.000 -1.334 0.000 1.061 151 A HN 0.678 nan 8.150 nan 0.000 0.502 152 V N 3.329 122.975 119.914 -0.446 0.000 2.334 152 V HA 0.293 4.413 4.120 -0.000 0.000 0.281 152 V C -0.278 175.601 176.094 -0.360 0.000 1.016 152 V CA -0.474 61.580 62.300 -0.410 0.000 0.832 152 V CB 0.697 32.299 31.823 -0.369 0.000 0.999 152 V HN 1.019 nan 8.190 nan 0.000 0.439 153 C N 4.489 123.574 119.300 -0.359 0.000 2.493 153 C HA 0.770 5.230 4.460 -0.000 0.000 0.326 153 C C 0.228 175.081 174.990 -0.229 0.000 1.200 153 C CA -0.795 58.075 59.018 -0.247 0.000 1.739 153 C CB 1.488 29.099 27.740 -0.215 0.000 2.300 153 C HN 0.584 nan 8.230 nan 0.000 0.500 154 V N 3.663 123.489 119.914 -0.147 0.000 2.465 154 V HA 0.187 4.307 4.120 -0.000 0.000 0.263 154 V C -0.585 175.479 176.094 -0.051 0.000 0.981 154 V CA -0.180 62.047 62.300 -0.123 0.000 0.838 154 V CB 0.606 32.374 31.823 -0.091 0.000 1.068 154 V HN 0.683 nan 8.190 nan 0.000 0.458 155 L N 4.876 126.014 121.223 -0.143 0.000 2.530 155 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 155 L C 0.725 177.568 176.870 -0.045 0.000 1.141 155 L CA 0.765 55.468 54.840 -0.228 0.000 0.905 155 L CB -0.109 41.602 42.059 -0.579 0.000 1.202 155 L HN 0.485 nan 8.230 nan 0.000 0.473 156 K N 6.049 126.503 120.400 0.089 0.000 2.110 156 K HA 0.448 4.768 4.320 -0.000 0.000 0.263 156 K C -2.281 174.426 176.600 0.178 0.000 0.975 156 K CA -1.861 54.508 56.287 0.136 0.000 0.895 156 K CB 0.567 33.161 32.500 0.155 0.000 1.060 156 K HN 0.318 nan 8.250 nan 0.000 0.448 157 P HA -0.174 nan 4.420 nan 0.000 0.264 157 P C 0.533 177.922 177.300 0.149 0.000 1.179 157 P CA 1.010 64.191 63.100 0.134 0.000 0.763 157 P CB 0.536 32.300 31.700 0.108 0.000 0.806 158 G N 2.049 110.890 108.800 0.069 0.000 2.284 158 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.201 158 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.201 158 G C 0.654 175.283 174.900 -0.451 0.000 0.998 158 G CA 0.089 45.138 45.100 -0.085 0.000 0.651 158 G HN 0.451 nan 8.290 nan 0.000 0.489 159 F N 2.102 121.848 119.950 -0.339 0.000 2.236 159 F HA 0.021 4.548 4.527 -0.000 0.000 0.302 159 F C 2.415 178.100 175.800 -0.192 0.000 1.073 159 F CA 2.322 60.160 58.000 -0.270 0.000 1.336 159 F CB 0.245 39.229 39.000 -0.028 0.000 1.040 159 F HN 0.211 nan 8.300 nan 0.000 0.507 160 E N 0.319 120.503 120.200 -0.028 0.000 2.047 160 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 160 E C 0.484 177.015 176.600 -0.114 0.000 0.987 160 E CA 0.449 56.828 56.400 -0.036 0.000 0.799 160 E CB -0.909 28.806 29.700 0.026 0.000 0.752 160 E HN 0.389 nan 8.360 nan 0.000 0.449 161 N N 1.461 120.079 118.700 -0.137 0.000 2.232 161 N HA 0.001 4.741 4.740 -0.000 0.000 0.251 161 N C 0.930 176.365 175.510 -0.125 0.000 1.242 161 N CA 1.486 54.472 53.050 -0.106 0.000 0.837 161 N CB 0.047 38.481 38.487 -0.087 0.000 1.079 161 N HN 0.224 nan 8.380 nan 0.000 0.461 162 G N 0.776 109.532 108.800 -0.073 0.000 2.894 162 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.247 162 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.247 162 G C -0.039 174.809 174.900 -0.086 0.000 1.442 162 G CA 0.034 45.093 45.100 -0.068 0.000 0.897 162 G HN 0.586 nan 8.290 nan 0.000 0.550 163 S N -0.211 115.446 115.700 -0.072 0.000 2.414 163 S HA 0.561 5.031 4.470 -0.000 0.000 0.267 163 S C 0.905 175.444 174.600 -0.101 0.000 1.165 163 S CA 0.182 58.340 58.200 -0.070 0.000 1.028 163 S CB 0.136 63.310 63.200 -0.043 0.000 1.154 163 S HN 1.360 nan 8.310 nan 0.000 0.472 164 N N 0.769 119.425 118.700 -0.074 0.000 2.681 164 N HA -0.142 4.598 4.740 -0.000 0.000 0.259 164 N C 0.083 175.511 175.510 -0.137 0.000 1.066 164 N CA 0.004 53.008 53.050 -0.076 0.000 0.717 164 N CB -0.445 38.000 38.487 -0.070 0.000 0.885 164 N HN 0.409 nan 8.380 nan 0.000 0.547 165 Q N -0.493 119.258 119.800 -0.081 0.000 2.339 165 Q HA 0.106 4.446 4.340 -0.000 0.000 0.205 165 Q C 0.949 177.038 176.000 0.147 0.000 0.925 165 Q CA 0.503 56.282 55.803 -0.040 0.000 0.898 165 Q CB 0.495 29.269 28.738 0.060 0.000 1.013 165 Q HN 0.391 nan 8.270 nan 0.000 0.504 166 V N 2.394 122.365 119.914 0.094 0.000 2.788 166 V HA -0.046 4.074 4.120 -0.000 0.000 0.307 166 V C 0.509 176.678 176.094 0.125 0.000 1.069 166 V CA 0.503 62.874 62.300 0.118 0.000 1.173 166 V CB 0.214 32.074 31.823 0.060 0.000 0.925 166 V HN 0.168 nan 8.190 nan 0.000 0.492 167 L N 3.706 125.020 121.223 0.152 0.000 2.330 167 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 167 L C -0.021 176.832 176.870 -0.028 0.000 1.013 167 L CA -0.092 54.761 54.840 0.022 0.000 0.816 167 L CB 2.147 44.228 42.059 0.036 0.000 1.287 167 L HN 0.706 nan 8.230 nan 0.000 0.435 168 S N 1.511 117.053 115.700 -0.264 0.000 2.571 168 S HA 0.664 5.134 4.470 -0.000 0.000 0.284 168 S C -1.362 172.994 174.600 -0.408 0.000 1.128 168 S CA -0.447 57.660 58.200 -0.155 0.000 0.970 168 S CB 0.762 63.919 63.200 -0.072 0.000 1.039 168 S HN 0.300 nan 8.310 nan 0.000 0.485 169 F N 2.661 122.593 119.950 -0.030 0.000 2.403 169 F HA 0.403 4.930 4.527 -0.000 0.000 0.355 169 F C 0.400 176.227 175.800 0.046 0.000 1.119 169 F CA -0.653 57.309 58.000 -0.063 0.000 1.007 169 F CB 1.562 40.505 39.000 -0.094 0.000 1.194 169 F HN 0.622 nan 8.300 nan 0.000 0.443 170 E N 4.847 125.123 120.200 0.126 0.000 2.105 170 E HA 0.245 4.595 4.350 -0.000 0.000 0.285 170 E C -1.401 175.338 176.600 0.231 0.000 1.055 170 E CA -0.369 56.121 56.400 0.149 0.000 0.843 170 E CB 0.523 30.243 29.700 0.033 0.000 1.067 170 E HN 0.549 nan 8.360 nan 0.000 0.398 171 Y N 2.191 122.503 120.300 0.018 0.000 2.609 171 Y HA 0.500 5.050 4.550 -0.000 0.000 0.342 171 Y C -1.118 174.776 175.900 -0.010 0.000 1.058 171 Y CA -1.783 56.317 58.100 0.001 0.000 1.055 171 Y CB 0.939 39.398 38.460 -0.000 0.000 1.292 171 Y HN 0.203 nan 8.280 nan 0.000 0.476 172 N N 3.146 121.776 118.700 -0.117 0.000 2.546 172 N HA 0.303 5.043 4.740 -0.000 0.000 0.238 172 N C -3.000 172.406 175.510 -0.173 0.000 0.984 172 N CA -1.452 51.483 53.050 -0.192 0.000 0.935 172 N CB 1.425 39.867 38.487 -0.074 0.000 1.122 172 N HN 0.404 nan 8.380 nan 0.000 0.510 173 P HA 0.067 nan 4.420 nan 0.000 0.261 173 P C -0.017 177.282 177.300 -0.001 0.000 1.183 173 P CA 0.391 63.429 63.100 -0.103 0.000 0.761 173 P CB 0.557 32.169 31.700 -0.146 0.000 0.785 174 I N 2.513 123.132 120.570 0.082 0.000 2.353 174 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 174 I C 1.399 177.577 176.117 0.101 0.000 0.992 174 I CA -0.112 61.247 61.300 0.099 0.000 1.268 174 I CB 0.807 38.908 38.000 0.168 0.000 1.387 174 I HN 0.631 nan 8.210 nan 0.000 0.478 175 G N 4.757 113.598 108.800 0.069 0.000 2.153 175 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.252 175 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.252 175 G C 0.424 175.356 174.900 0.053 0.000 0.994 175 G CA 0.511 45.647 45.100 0.061 0.000 0.698 175 G HN 0.984 nan 8.290 nan 0.000 0.521 176 N N -2.246 116.478 118.700 0.041 0.000 2.782 176 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 176 N C 0.214 175.752 175.510 0.048 0.000 1.101 176 N CA 1.254 54.323 53.050 0.031 0.000 0.764 176 N CB -0.427 38.075 38.487 0.026 0.000 1.122 176 N HN 0.543 nan 8.380 nan 0.000 0.561 177 K N 0.706 121.152 120.400 0.076 0.000 2.118 177 K HA 0.688 5.008 4.320 -0.000 0.000 0.254 177 K C -0.379 176.278 176.600 0.096 0.000 0.961 177 K CA -0.514 55.832 56.287 0.099 0.000 0.876 177 K CB 1.932 34.532 32.500 0.167 0.000 1.077 177 K HN 0.024 nan 8.250 nan 0.000 0.440 178 V N 3.022 122.979 119.914 0.072 0.000 2.569 178 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 178 V C -0.912 175.176 176.094 -0.011 0.000 1.044 178 V CA -0.766 61.572 62.300 0.064 0.000 0.874 178 V CB 1.475 33.328 31.823 0.050 0.000 1.002 178 V HN 0.523 nan 8.190 nan 0.000 0.424 179 I N 4.696 125.226 120.570 -0.067 0.000 2.578 179 I HA 0.241 4.411 4.170 -0.000 0.000 0.284 179 I C 0.266 176.243 176.117 -0.233 0.000 1.156 179 I CA -0.195 60.999 61.300 -0.177 0.000 1.165 179 I CB 1.265 39.086 38.000 -0.297 0.000 1.567 179 I HN 0.406 nan 8.210 nan 0.000 0.546 180 V N 7.536 127.286 119.914 -0.274 0.000 2.441 180 V HA 0.019 4.139 4.120 -0.000 0.000 0.279 180 V C -1.575 174.182 176.094 -0.563 0.000 0.990 180 V CA -0.882 61.152 62.300 -0.444 0.000 1.116 180 V CB -0.608 30.861 31.823 -0.590 0.000 0.977 180 V HN 0.498 nan 8.190 nan 0.000 0.470 181 P HA 0.054 nan 4.420 nan 0.000 0.263 181 P C -0.091 177.262 177.300 0.087 0.000 1.345 181 P CA 0.305 63.318 63.100 -0.144 0.000 1.119 181 P CB 0.279 31.878 31.700 -0.168 0.000 1.363 182 F N 1.648 121.639 119.950 0.068 0.000 2.727 182 F HA 0.277 4.804 4.527 -0.000 0.000 0.302 182 F C 1.767 177.648 175.800 0.134 0.000 1.107 182 F CA -1.215 56.855 58.000 0.117 0.000 1.277 182 F CB -0.952 38.223 39.000 0.293 0.000 1.079 182 F HN 0.201 nan 8.300 nan 0.000 0.594 183 A N 0.936 123.955 122.820 0.331 0.000 2.613 183 A HA 0.071 4.391 4.320 -0.000 0.000 0.230 183 A C 0.328 178.025 177.584 0.189 0.000 1.051 183 A CA 0.555 52.745 52.037 0.256 0.000 0.754 183 A CB -0.295 18.802 19.000 0.162 0.000 0.979 183 A HN 0.510 nan 8.150 nan 0.000 0.510 184 H N 0.196 119.229 119.070 -0.062 0.000 3.315 184 H HA 0.370 4.926 4.556 -0.000 0.000 0.280 184 H C -0.700 174.648 175.328 0.034 0.000 1.664 184 H CA -0.875 55.154 56.048 -0.031 0.000 1.531 184 H CB 0.949 30.686 29.762 -0.042 0.000 1.673 184 H HN 0.728 nan 8.280 nan 0.000 0.857 185 E N 1.494 121.864 120.200 0.283 0.000 2.042 185 E HA 0.185 4.535 4.350 -0.000 0.000 0.260 185 E C -0.341 176.453 176.600 0.323 0.000 0.975 185 E CA -0.326 56.205 56.400 0.218 0.000 0.799 185 E CB 0.335 30.100 29.700 0.108 0.000 1.131 185 E HN 0.251 nan 8.360 nan 0.000 0.423 186 I N 4.059 124.818 120.570 0.314 0.000 3.467 186 I HA -0.323 3.846 4.170 -0.000 0.000 0.340 186 I C 0.372 176.716 176.117 0.377 0.000 1.165 186 I CA 0.750 62.296 61.300 0.410 0.000 1.746 186 I CB -0.789 37.384 38.000 0.288 0.000 1.220 186 I HN 0.517 nan 8.210 nan 0.000 0.433 187 N N 4.454 123.323 118.700 0.282 0.000 2.430 187 N HA 0.239 4.979 4.740 -0.000 0.000 0.298 187 N C 0.274 175.778 175.510 -0.011 0.000 1.130 187 N CA -0.832 52.214 53.050 -0.007 0.000 0.894 187 N CB 1.055 39.420 38.487 -0.203 0.000 1.209 187 N HN 0.305 nan 8.380 nan 0.000 0.503 188 D N -0.305 120.085 120.400 -0.016 0.000 2.092 188 D HA -0.263 4.377 4.640 -0.000 0.000 0.193 188 D C 1.601 177.876 176.300 -0.042 0.000 0.994 188 D CA 2.336 56.344 54.000 0.015 0.000 0.828 188 D CB -0.653 40.154 40.800 0.011 0.000 0.963 188 D HN 0.825 nan 8.370 nan 0.000 0.450 189 T N -0.952 113.541 114.554 -0.102 0.000 2.649 189 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 189 T C 1.760 176.384 174.700 -0.126 0.000 1.036 189 T CA 3.632 65.660 62.100 -0.120 0.000 1.157 189 T CB -0.338 68.433 68.868 -0.161 0.000 0.861 189 T HN 0.409 nan 8.240 nan 0.000 0.445 190 G N 0.039 108.719 108.800 -0.199 0.000 2.253 190 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.209 190 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.209 190 G C -0.267 174.515 174.900 -0.197 0.000 0.997 190 G CA 0.073 45.095 45.100 -0.129 0.000 0.640 190 G HN 0.721 nan 8.290 nan 0.000 0.496 191 L N 0.667 121.690 121.223 -0.334 0.000 2.334 191 L HA 0.866 5.206 4.340 -0.000 0.000 0.272 191 L C -0.591 175.951 176.870 -0.546 0.000 1.020 191 L CA -1.634 53.049 54.840 -0.262 0.000 0.812 191 L CB 1.345 43.321 42.059 -0.138 0.000 1.264 191 L HN 0.160 nan 8.230 nan 0.000 0.439 192 Y N 0.579 120.852 120.300 -0.047 0.000 2.462 192 Y HA 0.479 5.029 4.550 -0.000 0.000 0.346 192 Y C -0.145 175.774 175.900 0.032 0.000 0.976 192 Y CA -0.783 57.256 58.100 -0.102 0.000 1.044 192 Y CB 1.765 40.038 38.460 -0.311 0.000 1.230 192 Y HN 0.502 nan 8.280 nan 0.000 0.455 193 E N 2.062 122.363 120.200 0.168 0.000 2.175 193 E HA 0.372 4.722 4.350 -0.000 0.000 0.278 193 E C -1.813 174.999 176.600 0.353 0.000 0.969 193 E CA -0.600 55.938 56.400 0.230 0.000 0.796 193 E CB 0.800 30.572 29.700 0.121 0.000 1.104 193 E HN 0.557 nan 8.360 nan 0.000 0.395 194 Y N 2.375 122.769 120.300 0.157 0.000 2.360 194 Y HA 0.336 4.886 4.550 -0.000 0.000 0.337 194 Y C -0.414 175.537 175.900 0.084 0.000 1.039 194 Y CA -0.954 57.250 58.100 0.173 0.000 1.109 194 Y CB 1.818 40.354 38.460 0.126 0.000 1.201 194 Y HN 0.476 nan 8.280 nan 0.000 0.458 195 D N 2.380 122.869 120.400 0.147 0.000 2.472 195 D HA 0.418 5.058 4.640 -0.000 0.000 0.248 195 D C -1.892 174.414 176.300 0.009 0.000 1.271 195 D CA -0.017 54.059 54.000 0.126 0.000 0.888 195 D CB 0.740 41.620 40.800 0.135 0.000 1.337 195 D HN 0.335 nan 8.370 nan 0.000 0.526 196 V N 2.432 122.315 119.914 -0.051 0.000 3.120 196 V HA 0.705 4.825 4.120 -0.000 0.000 0.303 196 V C -1.493 174.492 176.094 -0.181 0.000 1.238 196 V CA -0.487 61.730 62.300 -0.138 0.000 1.008 196 V CB 2.345 34.048 31.823 -0.200 0.000 1.064 196 V HN 0.143 nan 8.190 nan 0.000 0.434 197 V N 4.118 123.950 119.914 -0.138 0.000 2.735 197 V HA 1.000 5.120 4.120 -0.000 0.000 0.310 197 V C 0.006 176.096 176.094 -0.006 0.000 1.061 197 V CA 0.061 62.291 62.300 -0.115 0.000 0.913 197 V CB 1.632 33.386 31.823 -0.115 0.000 1.005 197 V HN 1.331 nan 8.190 nan 0.000 0.428 198 A N 3.317 126.178 122.820 0.069 0.000 2.475 198 A HA 0.832 5.152 4.320 -0.000 0.000 0.301 198 A C -1.873 175.805 177.584 0.157 0.000 1.059 198 A CA -0.539 51.577 52.037 0.133 0.000 0.710 198 A CB 1.634 20.777 19.000 0.239 0.000 1.288 198 A HN 1.048 nan 8.150 nan 0.000 0.408 199 Y N 2.379 122.660 120.300 -0.032 0.000 2.594 199 Y HA 0.503 5.053 4.550 -0.000 0.000 0.338 199 Y C -0.554 175.277 175.900 -0.116 0.000 1.019 199 Y CA -0.734 57.299 58.100 -0.111 0.000 1.306 199 Y CB 1.376 39.784 38.460 -0.086 0.000 1.094 199 Y HN 0.908 nan 8.280 nan 0.000 0.534 200 V N 2.431 122.100 119.914 -0.407 0.000 2.667 200 V HA 0.840 4.960 4.120 -0.000 0.000 0.308 200 V C -1.025 174.770 176.094 -0.499 0.000 1.048 200 V CA -0.399 61.708 62.300 -0.323 0.000 0.928 200 V CB 1.847 33.585 31.823 -0.140 0.000 1.004 200 V HN 0.704 nan 8.190 nan 0.000 0.444 201 D N 1.016 121.205 120.400 -0.352 0.000 2.592 201 D HA 0.508 5.148 4.640 -0.000 0.000 0.263 201 D C -0.089 176.128 176.300 -0.138 0.000 1.132 201 D CA -0.336 53.473 54.000 -0.319 0.000 0.996 201 D CB 1.283 41.879 40.800 -0.340 0.000 1.442 201 D HN 1.054 nan 8.370 nan 0.000 0.486 202 S N -1.943 113.695 115.700 -0.104 0.000 3.706 202 S HA 0.014 4.484 4.470 -0.000 0.000 0.363 202 S C 0.050 174.660 174.600 0.017 0.000 0.999 202 S CA 0.647 58.829 58.200 -0.030 0.000 1.143 202 S CB -2.390 60.793 63.200 -0.029 0.000 0.902 202 S HN 1.331 nan 8.310 nan 0.000 0.476 203 V N -2.111 117.842 119.914 0.065 0.000 2.925 203 V HA 0.881 5.001 4.120 -0.000 0.000 0.311 203 V C -0.452 175.815 176.094 0.288 0.000 1.104 203 V CA -1.159 61.223 62.300 0.138 0.000 0.954 203 V CB 2.204 34.105 31.823 0.130 0.000 1.022 203 V HN 0.169 nan 8.190 nan 0.000 0.427 204 Q N 2.137 122.066 119.800 0.215 0.000 2.267 204 Q HA 0.475 4.815 4.340 -0.000 0.000 0.255 204 Q C -0.615 175.459 176.000 0.124 0.000 0.923 204 Q CA -0.494 55.428 55.803 0.197 0.000 0.925 204 Q CB 1.016 29.803 28.738 0.082 0.000 1.195 204 Q HN 0.803 nan 8.270 nan 0.000 0.417 205 F N 2.536 122.285 119.950 -0.335 0.000 2.682 205 F HA 0.128 4.655 4.527 -0.000 0.000 0.328 205 F C 0.150 175.769 175.800 -0.301 0.000 1.207 205 F CA 1.260 58.956 58.000 -0.507 0.000 1.379 205 F CB 0.553 39.001 39.000 -0.919 0.000 1.100 205 F HN 0.765 nan 8.300 nan 0.000 0.621 206 D N 1.334 120.787 120.400 -1.578 0.000 2.914 206 D HA 0.174 4.814 4.640 -0.000 0.000 0.236 206 D C 0.521 175.743 176.300 -1.796 0.000 1.405 206 D CA 0.450 53.616 54.000 -1.390 0.000 0.900 206 D CB -0.423 39.780 40.800 -0.995 0.000 1.518 206 D HN 0.660 nan 8.370 nan 0.000 0.548 207 G N 1.051 108.979 108.800 -1.454 0.000 2.535 207 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 207 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 207 G C 1.260 175.939 174.900 -0.368 0.000 1.122 207 G CA 0.498 45.207 45.100 -0.652 0.000 0.769 207 G HN 0.361 nan 8.290 nan 0.000 0.549 208 E N -0.162 119.783 120.200 -0.426 0.000 2.072 208 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 208 E C 2.416 178.878 176.600 -0.230 0.000 0.982 208 E CA 0.963 57.215 56.400 -0.247 0.000 0.803 208 E CB -0.162 29.408 29.700 -0.217 0.000 0.755 208 E HN 0.620 nan 8.360 nan 0.000 0.453 209 Q N -1.165 118.401 119.800 -0.390 0.000 2.398 209 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 209 Q C 1.006 176.938 176.000 -0.113 0.000 0.932 209 Q CA 0.425 56.083 55.803 -0.242 0.000 0.916 209 Q CB 0.130 28.698 28.738 -0.284 0.000 1.024 209 Q HN 0.191 nan 8.270 nan 0.000 0.504 210 F N 1.142 120.894 119.950 -0.331 0.000 2.219 210 F HA 0.095 4.622 4.527 -0.000 0.000 0.294 210 F C 1.968 177.711 175.800 -0.096 0.000 1.086 210 F CA 0.612 58.317 58.000 -0.491 0.000 1.330 210 F CB -0.588 38.026 39.000 -0.643 0.000 1.047 210 F HN 0.120 nan 8.300 nan 0.000 0.495 211 E N 0.351 120.649 120.200 0.163 0.000 2.058 211 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 211 E C 2.160 178.801 176.600 0.069 0.000 0.997 211 E CA 1.313 57.822 56.400 0.183 0.000 0.801 211 E CB -0.375 29.427 29.700 0.170 0.000 0.746 211 E HN 0.414 nan 8.360 nan 0.000 0.450 212 E N 0.711 120.945 120.200 0.056 0.000 2.049 212 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 212 E C 1.912 178.560 176.600 0.080 0.000 1.007 212 E CA 1.207 57.630 56.400 0.038 0.000 0.809 212 E CB -0.206 29.518 29.700 0.040 0.000 0.749 212 E HN 0.171 nan 8.360 nan 0.000 0.450 213 F N 0.932 120.908 119.950 0.044 0.000 2.022 213 F HA -0.212 4.315 4.527 -0.000 0.000 0.293 213 F C 2.605 178.463 175.800 0.096 0.000 1.142 213 F CA 1.655 59.716 58.000 0.101 0.000 1.177 213 F CB -0.619 38.530 39.000 0.249 0.000 0.982 213 F HN -0.145 nan 8.300 nan 0.000 0.473 214 V N 0.259 120.478 119.914 0.510 0.000 2.250 214 V HA -0.450 3.670 4.120 -0.000 0.000 0.253 214 V C 2.308 178.435 176.094 0.055 0.000 1.065 214 V CA 2.472 64.990 62.300 0.364 0.000 1.039 214 V CB -1.038 31.063 31.823 0.464 0.000 0.647 214 V HN 0.450 nan 8.190 nan 0.000 0.446 215 Q N 0.025 119.743 119.800 -0.137 0.000 2.197 215 Q HA -0.188 4.152 4.340 -0.000 0.000 0.207 215 Q C 1.990 177.881 176.000 -0.183 0.000 0.984 215 Q CA 1.798 57.408 55.803 -0.322 0.000 0.869 215 Q CB -0.184 28.329 28.738 -0.376 0.000 0.906 215 Q HN 0.835 nan 8.270 nan 0.000 0.426 216 S N -0.712 114.898 115.700 -0.150 0.000 2.679 216 S HA 0.208 4.678 4.470 -0.000 0.000 0.233 216 S C 0.229 174.727 174.600 -0.170 0.000 0.951 216 S CA -0.355 57.744 58.200 -0.168 0.000 0.973 216 S CB -0.075 62.991 63.200 -0.223 0.000 0.778 216 S HN 0.137 nan 8.310 nan 0.000 0.477 217 L N 2.105 123.262 121.223 -0.110 0.000 2.289 217 L HA 0.496 4.836 4.340 -0.000 0.000 0.285 217 L C -0.408 176.431 176.870 -0.051 0.000 1.049 217 L CA -0.781 54.013 54.840 -0.078 0.000 0.804 217 L CB 1.293 43.354 42.059 0.003 0.000 1.195 217 L HN 0.250 nan 8.230 nan 0.000 0.428 218 I N 5.207 125.742 120.570 -0.058 0.000 2.337 218 I HA 0.281 4.451 4.170 -0.000 0.000 0.285 218 I C 0.365 176.442 176.117 -0.068 0.000 1.041 218 I CA -0.328 60.938 61.300 -0.057 0.000 1.199 218 I CB 1.122 39.085 38.000 -0.062 0.000 1.370 218 I HN 0.459 nan 8.210 nan 0.000 0.470 219 L N 7.416 128.598 121.223 -0.069 0.000 2.464 219 L HA 0.279 4.619 4.340 -0.000 0.000 0.264 219 L C -1.836 174.867 176.870 -0.279 0.000 1.199 219 L CA -1.474 53.290 54.840 -0.126 0.000 0.818 219 L CB -0.177 41.842 42.059 -0.065 0.000 1.102 219 L HN 0.293 nan 8.230 nan 0.000 0.473 220 P HA 0.075 nan 4.420 nan 0.000 0.272 220 P C -0.769 176.032 177.300 -0.833 0.000 1.230 220 P CA -0.282 62.413 63.100 -0.676 0.000 0.788 220 P CB 0.880 32.056 31.700 -0.873 0.000 0.949 221 S N 0.091 115.366 115.700 -0.708 0.000 2.554 221 S HA 0.274 4.744 4.470 -0.000 0.000 0.278 221 S C 0.953 175.013 174.600 -0.900 0.000 1.242 221 S CA -0.157 57.609 58.200 -0.724 0.000 1.051 221 S CB 0.051 62.843 63.200 -0.680 0.000 0.986 221 S HN 0.450 nan 8.310 nan 0.000 0.502 222 S N 3.445 118.813 115.700 -0.553 0.000 2.557 222 S HA 0.249 4.719 4.470 -0.000 0.000 0.223 222 S C -0.067 174.323 174.600 -0.351 0.000 0.969 222 S CA -0.382 57.613 58.200 -0.341 0.000 0.927 222 S CB -0.824 62.316 63.200 -0.099 0.000 0.806 222 S HN 0.791 nan 8.310 nan 0.000 0.489 223 F N 1.101 120.956 119.950 -0.157 0.000 2.891 223 F HA -0.126 4.401 4.527 -0.000 0.000 0.272 223 F C 0.204 175.874 175.800 -0.216 0.000 1.004 223 F CA 0.399 58.304 58.000 -0.157 0.000 0.938 223 F CB -1.988 36.939 39.000 -0.123 0.000 0.939 223 F HN 0.299 nan 8.300 nan 0.000 0.833 224 K N 0.491 120.824 120.400 -0.110 0.000 2.581 224 K HA 0.272 4.592 4.320 -0.000 0.000 0.249 224 K C 0.714 177.258 176.600 -0.094 0.000 0.966 224 K CA -0.735 55.444 56.287 -0.181 0.000 0.811 224 K CB 1.595 33.829 32.500 -0.444 0.000 1.223 224 K HN 0.111 nan 8.250 nan 0.000 0.438 225 N N 0.558 119.226 118.700 -0.053 0.000 2.149 225 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 225 N C 1.298 176.804 175.510 -0.007 0.000 1.019 225 N CA 1.770 54.807 53.050 -0.022 0.000 0.857 225 N CB 0.128 38.605 38.487 -0.016 0.000 0.997 225 N HN 0.533 nan 8.380 nan 0.000 0.426 226 S N 0.991 116.688 115.700 -0.004 0.000 2.507 226 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 226 S C 0.615 175.267 174.600 0.087 0.000 0.988 226 S CA 0.113 58.339 58.200 0.042 0.000 0.944 226 S CB -0.565 62.671 63.200 0.060 0.000 0.762 226 S HN 0.476 nan 8.310 nan 0.000 0.526 227 E N 1.700 121.945 120.200 0.075 0.000 2.465 227 E HA 0.173 4.523 4.350 -0.000 0.000 0.260 227 E C -0.764 175.903 176.600 0.113 0.000 0.980 227 E CA 0.022 56.513 56.400 0.151 0.000 0.927 227 E CB 0.197 29.957 29.700 0.101 0.000 0.934 227 E HN 0.302 nan 8.360 nan 0.000 0.459 228 K N 2.713 123.197 120.400 0.141 0.000 2.443 228 K HA 0.311 4.631 4.320 -0.000 0.000 0.252 228 K C -1.391 175.276 176.600 0.113 0.000 0.933 228 K CA -0.929 55.416 56.287 0.098 0.000 0.792 228 K CB 2.463 35.013 32.500 0.083 0.000 1.185 228 K HN 0.330 nan 8.250 nan 0.000 0.425 229 V N 5.120 125.087 119.914 0.088 0.000 2.320 229 V HA 0.167 4.287 4.120 -0.000 0.000 0.265 229 V C -0.350 175.801 176.094 0.095 0.000 1.048 229 V CA -0.659 61.705 62.300 0.105 0.000 0.865 229 V CB -0.047 31.820 31.823 0.074 0.000 1.043 229 V HN 0.524 nan 8.190 nan 0.000 0.474 230 L N 4.970 126.261 121.223 0.114 0.000 2.421 230 L HA 0.455 4.795 4.340 -0.000 0.000 0.263 230 L C -0.338 176.558 176.870 0.043 0.000 1.122 230 L CA -0.188 54.654 54.840 0.003 0.000 0.804 230 L CB 0.350 42.329 42.059 -0.133 0.000 1.150 230 L HN 0.599 nan 8.230 nan 0.000 0.457 231 Y N 1.310 121.459 120.300 -0.252 0.000 2.377 231 Y HA 0.598 5.148 4.550 -0.000 0.000 0.339 231 Y C -1.294 174.361 175.900 -0.409 0.000 1.011 231 Y CA -1.222 56.771 58.100 -0.178 0.000 1.093 231 Y CB 0.893 39.303 38.460 -0.085 0.000 1.201 231 Y HN 0.426 nan 8.280 nan 0.000 0.455 232 Y N 3.026 122.902 120.300 -0.706 0.000 2.598 232 Y HA 0.442 4.992 4.550 -0.000 0.000 0.340 232 Y C -0.212 175.249 175.900 -0.732 0.000 1.038 232 Y CA -1.247 56.391 58.100 -0.770 0.000 1.100 232 Y CB 1.947 39.888 38.460 -0.864 0.000 1.281 232 Y HN 0.676 nan 8.280 nan 0.000 0.488 233 N N 0.623 119.188 118.700 -0.225 0.000 2.785 233 N HA 0.161 4.901 4.740 -0.000 0.000 0.224 233 N C -1.743 173.785 175.510 0.030 0.000 1.448 233 N CA -0.162 52.844 53.050 -0.074 0.000 0.748 233 N CB 0.391 38.791 38.487 -0.146 0.000 1.385 233 N HN 0.631 nan 8.380 nan 0.000 0.538 234 E N 0.427 120.690 120.200 0.104 0.000 2.314 234 E HA 0.701 5.051 4.350 -0.000 0.000 0.262 234 E C -0.428 176.204 176.600 0.052 0.000 1.093 234 E CA -0.773 55.678 56.400 0.086 0.000 0.908 234 E CB 1.396 31.164 29.700 0.114 0.000 1.091 234 E HN 0.362 nan 8.360 nan 0.000 0.425 235 A N 1.805 124.638 122.820 0.022 0.000 3.409 235 A HA 0.291 4.611 4.320 -0.000 0.000 0.282 235 A C -0.226 177.352 177.584 -0.011 0.000 1.064 235 A CA -0.548 51.481 52.037 -0.013 0.000 0.889 235 A CB 0.357 19.349 19.000 -0.014 0.000 1.251 235 A HN 0.421 nan 8.150 nan 0.000 0.538 236 S N 1.514 117.208 115.700 -0.011 0.000 2.647 236 S HA 0.082 4.552 4.470 -0.000 0.000 0.251 236 S C 2.002 176.595 174.600 -0.013 0.000 1.320 236 S CA 0.176 58.369 58.200 -0.011 0.000 0.968 236 S CB 0.304 63.492 63.200 -0.020 0.000 1.005 236 S HN 0.814 nan 8.310 nan 0.000 0.576 237 K N 1.958 122.351 120.400 -0.012 0.000 1.975 237 K HA -0.178 4.141 4.320 -0.000 0.000 0.225 237 K C 0.279 176.876 176.600 -0.005 0.000 1.050 237 K CA 1.867 58.149 56.287 -0.008 0.000 0.992 237 K CB -1.134 31.360 32.500 -0.010 0.000 0.738 237 K HN 0.542 nan 8.250 nan 0.000 0.446 238 N N 1.084 119.780 118.700 -0.006 0.000 2.328 238 N HA 0.170 4.910 4.740 -0.000 0.000 0.247 238 N C -0.544 174.972 175.510 0.009 0.000 1.165 238 N CA -0.094 52.960 53.050 0.007 0.000 0.873 238 N CB 1.226 39.715 38.487 0.004 0.000 1.125 238 N HN 0.243 nan 8.380 nan 0.000 0.513 239 K N 0.044 120.439 120.400 -0.007 0.000 2.466 239 K HA 0.536 4.856 4.320 -0.000 0.000 0.260 239 K C -1.088 175.485 176.600 -0.046 0.000 1.011 239 K CA -0.647 55.632 56.287 -0.014 0.000 0.871 239 K CB 1.827 34.302 32.500 -0.041 0.000 1.404 239 K HN 0.030 nan 8.250 nan 0.000 0.450 240 S N 0.974 116.636 115.700 -0.063 0.000 2.461 240 S HA 0.458 4.928 4.470 -0.000 0.000 0.245 240 S C -1.229 173.369 174.600 -0.004 0.000 1.039 240 S CA -0.957 57.165 58.200 -0.131 0.000 1.077 240 S CB 0.052 62.955 63.200 -0.495 0.000 1.171 240 S HN 0.382 nan 8.310 nan 0.000 0.433 241 M N 3.554 123.217 119.600 0.106 0.000 2.294 241 M HA 0.607 5.087 4.480 -0.000 0.000 0.335 241 M C -0.745 175.806 176.300 0.419 0.000 1.079 241 M CA -0.338 55.107 55.300 0.241 0.000 0.982 241 M CB 1.665 34.358 32.600 0.154 0.000 1.651 241 M HN 0.612 nan 8.290 nan 0.000 0.437 242 I N 4.489 125.381 120.570 0.537 0.000 2.382 242 I HA 0.580 4.750 4.170 -0.000 0.000 0.286 242 I C -1.255 175.291 176.117 0.715 0.000 1.002 242 I CA -0.713 60.924 61.300 0.562 0.000 1.135 242 I CB 0.897 39.258 38.000 0.601 0.000 1.288 242 I HN 0.784 nan 8.210 nan 0.000 0.448 243 Y N 4.219 124.804 120.300 0.475 0.000 2.741 243 Y HA 0.604 5.154 4.550 -0.000 0.000 0.339 243 Y C -1.921 174.289 175.900 0.516 0.000 1.226 243 Y CA -1.572 56.806 58.100 0.464 0.000 1.072 243 Y CB 1.132 39.810 38.460 0.363 0.000 1.331 243 Y HN 0.257 nan 8.280 nan 0.000 0.453 244 K N 1.458 122.144 120.400 0.476 0.000 2.324 244 K HA 0.911 5.230 4.320 -0.000 0.000 0.253 244 K C -1.286 175.576 176.600 0.437 0.000 0.932 244 K CA -0.990 55.524 56.287 0.379 0.000 0.799 244 K CB 2.505 35.179 32.500 0.290 0.000 1.154 244 K HN 0.932 nan 8.250 nan 0.000 0.425 245 A N 2.731 125.801 122.820 0.417 0.000 2.413 245 A HA 0.591 4.911 4.320 -0.000 0.000 0.307 245 A C -1.432 176.333 177.584 0.303 0.000 1.087 245 A CA -0.808 51.458 52.037 0.381 0.000 0.750 245 A CB 1.125 20.352 19.000 0.377 0.000 1.296 245 A HN 0.745 nan 8.150 nan 0.000 0.423 246 L N 1.446 122.843 121.223 0.290 0.000 2.265 246 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 246 L C -0.587 176.416 176.870 0.222 0.000 1.033 246 L CA -0.156 54.843 54.840 0.265 0.000 0.814 246 L CB 0.932 43.177 42.059 0.310 0.000 1.203 246 L HN 0.875 nan 8.230 nan 0.000 0.423 247 E N 4.859 125.166 120.200 0.179 0.000 2.227 247 E HA 0.634 4.984 4.350 -0.000 0.000 0.268 247 E C -1.637 175.044 176.600 0.134 0.000 0.907 247 E CA -0.516 55.907 56.400 0.039 0.000 0.786 247 E CB 2.344 32.093 29.700 0.083 0.000 1.191 247 E HN 0.443 nan 8.360 nan 0.000 0.411 248 F N -2.025 118.009 119.950 0.141 0.000 2.639 248 F HA 0.385 4.912 4.527 -0.000 0.000 0.320 248 F C -0.873 175.006 175.800 0.132 0.000 1.128 248 F CA -1.071 56.976 58.000 0.078 0.000 1.037 248 F CB 0.490 39.477 39.000 -0.022 0.000 1.288 248 F HN 0.121 nan 8.300 nan 0.000 0.463 249 T N 1.960 116.701 114.554 0.312 0.000 2.897 249 T HA 0.560 4.910 4.350 -0.000 0.000 0.294 249 T C -0.193 174.709 174.700 0.338 0.000 1.004 249 T CA -0.141 62.143 62.100 0.307 0.000 1.106 249 T CB 1.465 70.449 68.868 0.192 0.000 0.949 249 T HN 0.772 nan 8.240 nan 0.000 0.520 250 T N 2.609 117.417 114.554 0.422 0.000 2.924 250 T HA 0.454 4.804 4.350 -0.000 0.000 0.291 250 T C -0.411 174.436 174.700 0.245 0.000 1.045 250 T CA -0.951 61.380 62.100 0.385 0.000 1.015 250 T CB 1.292 70.558 68.868 0.663 0.000 1.103 250 T HN 0.690 nan 8.240 nan 0.000 0.496 251 E N 0.821 121.120 120.200 0.165 0.000 2.239 251 E HA 0.508 4.858 4.350 -0.000 0.000 0.261 251 E C 0.175 176.835 176.600 0.099 0.000 1.016 251 E CA -0.682 55.736 56.400 0.031 0.000 0.882 251 E CB 1.006 30.714 29.700 0.014 0.000 1.190 251 E HN 0.429 nan 8.360 nan 0.000 0.415 252 S N -0.298 115.407 115.700 0.008 0.000 2.592 252 S HA -0.010 4.460 4.470 -0.000 0.000 0.256 252 S C 0.759 175.366 174.600 0.013 0.000 1.369 252 S CA 0.471 58.756 58.200 0.141 0.000 0.984 252 S CB 0.453 63.709 63.200 0.093 0.000 0.919 252 S HN 0.573 nan 8.310 nan 0.000 0.576 253 S N 0.225 115.827 115.700 -0.164 0.000 2.632 253 S HA 0.355 4.825 4.470 -0.000 0.000 0.237 253 S C -0.263 173.859 174.600 -0.797 0.000 1.037 253 S CA -0.396 57.443 58.200 -0.601 0.000 1.009 253 S CB -0.076 62.562 63.200 -0.936 0.000 0.974 253 S HN 0.753 nan 8.310 nan 0.000 0.544 254 W N 0.287 121.635 121.300 0.081 0.000 4.475 254 W HA 0.641 5.301 4.660 -0.000 0.000 0.628 254 W C 1.649 178.196 176.519 0.047 0.000 3.463 254 W CA 0.010 57.389 57.345 0.056 0.000 1.135 254 W CB -0.857 28.632 29.460 0.049 0.000 2.125 254 W HN -0.009 nan 8.180 nan 0.000 0.352 255 G N 1.834 110.853 108.800 0.364 0.000 1.956 255 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.522 255 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.522 255 G C 0.317 175.295 174.900 0.130 0.000 1.379 255 G CA 0.556 45.772 45.100 0.192 0.000 1.070 255 G HN 0.455 nan 8.290 nan 0.000 0.470 256 K N -1.153 119.305 120.400 0.097 0.000 2.544 256 K HA 0.048 4.368 4.320 -0.000 0.000 0.274 256 K C 0.197 176.819 176.600 0.037 0.000 0.962 256 K CA 0.787 57.109 56.287 0.058 0.000 0.946 256 K CB 0.089 32.618 32.500 0.048 0.000 0.905 256 K HN 0.216 nan 8.250 nan 0.000 0.521 257 S N 1.094 116.797 115.700 0.007 0.000 4.120 257 S HA 0.005 4.475 4.470 -0.000 0.000 0.196 257 S C -0.588 173.967 174.600 -0.075 0.000 1.447 257 S CA -0.568 57.616 58.200 -0.026 0.000 0.939 257 S CB -0.445 62.746 63.200 -0.016 0.000 1.496 257 S HN 0.531 nan 8.310 nan 0.000 0.460 258 E N 3.035 123.157 120.200 -0.131 0.000 2.174 258 E HA 0.215 4.565 4.350 -0.000 0.000 0.282 258 E C -0.122 176.128 176.600 -0.584 0.000 0.992 258 E CA -0.485 55.762 56.400 -0.255 0.000 0.803 258 E CB 0.923 30.518 29.700 -0.174 0.000 1.090 258 E HN 0.683 nan 8.360 nan 0.000 0.396 259 K N 2.241 122.384 120.400 -0.427 0.000 2.107 259 K HA 0.237 4.557 4.320 -0.000 0.000 0.251 259 K C -0.783 175.511 176.600 -0.510 0.000 1.012 259 K CA -0.190 55.869 56.287 -0.380 0.000 0.920 259 K CB 0.603 33.047 32.500 -0.093 0.000 1.033 259 K HN 0.401 nan 8.250 nan 0.000 0.478 260 Y N 0.431 120.876 120.300 0.242 0.000 2.609 260 Y HA 0.223 4.773 4.550 -0.000 0.000 0.350 260 Y C -0.773 175.421 175.900 0.490 0.000 1.050 260 Y CA -1.275 57.031 58.100 0.343 0.000 1.290 260 Y CB 1.106 39.793 38.460 0.379 0.000 1.094 260 Y HN 0.572 nan 8.280 nan 0.000 0.583 261 N N 2.577 121.543 118.700 0.443 0.000 2.427 261 N HA -0.049 4.691 4.740 -0.000 0.000 0.269 261 N C -0.742 174.855 175.510 0.145 0.000 1.235 261 N CA 0.305 53.529 53.050 0.290 0.000 0.934 261 N CB 0.503 39.091 38.487 0.169 0.000 1.121 261 N HN 0.472 nan 8.380 nan 0.000 0.480 262 W N 1.550 122.660 121.300 -0.316 0.000 2.283 262 W HA 0.358 5.018 4.660 -0.000 0.000 0.341 262 W C 0.918 177.115 176.519 -0.537 0.000 1.206 262 W CA -0.440 56.517 57.345 -0.647 0.000 1.294 262 W CB 0.615 29.376 29.460 -1.166 0.000 1.154 262 W HN 0.258 nan 8.180 nan 0.000 0.613 263 K N 3.709 123.977 120.400 -0.219 0.000 2.731 263 K HA 0.402 4.721 4.320 -0.000 0.000 0.257 263 K C -1.222 175.340 176.600 -0.063 0.000 1.032 263 K CA -0.278 55.950 56.287 -0.099 0.000 0.983 263 K CB 0.369 32.819 32.500 -0.084 0.000 1.248 263 K HN 0.583 nan 8.250 nan 0.000 0.484 264 I N -0.850 119.748 120.570 0.048 0.000 3.343 264 I HA 0.596 4.766 4.170 -0.000 0.000 0.315 264 I C -0.568 175.671 176.117 0.203 0.000 1.153 264 I CA -0.961 60.366 61.300 0.045 0.000 0.952 264 I CB 1.220 39.223 38.000 0.005 0.000 1.287 264 I HN 0.601 nan 8.210 nan 0.000 0.472 265 F N 0.653 120.665 119.950 0.104 0.000 3.093 265 F HA -0.211 4.316 4.527 -0.000 0.000 0.287 265 F C 0.571 176.442 175.800 0.119 0.000 0.882 265 F CA 0.011 58.065 58.000 0.091 0.000 1.063 265 F CB -2.166 36.879 39.000 0.074 0.000 1.097 265 F HN 0.529 nan 8.300 nan 0.000 0.604 266 C N 2.245 121.687 119.300 0.236 0.000 2.651 266 C HA 0.332 4.792 4.460 -0.000 0.000 0.410 266 C C 0.744 175.881 174.990 0.244 0.000 1.372 266 C CA -0.350 58.840 59.018 0.286 0.000 1.707 266 C CB -0.581 27.259 27.740 0.166 0.000 2.501 266 C HN 0.376 nan 8.230 nan 0.000 0.598 267 N N 1.854 120.744 118.700 0.318 0.000 2.287 267 N HA 0.726 5.466 4.740 -0.000 0.000 0.289 267 N C 0.101 175.823 175.510 0.352 0.000 1.066 267 N CA 0.033 53.183 53.050 0.167 0.000 0.841 267 N CB 2.345 40.895 38.487 0.105 0.000 1.599 267 N HN 0.907 nan 8.380 nan 0.000 0.476 268 G N 0.226 109.205 108.800 0.299 0.000 2.566 268 G HA2 0.371 4.331 3.960 -0.000 0.000 0.138 268 G HA3 0.371 4.331 3.960 -0.000 0.000 0.138 268 G C -2.105 172.944 174.900 0.248 0.000 1.133 268 G CA -0.497 44.887 45.100 0.474 0.000 1.037 268 G HN 0.250 nan 8.290 nan 0.000 0.491 269 F N 0.518 120.703 119.950 0.391 0.000 2.561 269 F HA 0.766 5.293 4.527 -0.000 0.000 0.313 269 F C 0.030 175.932 175.800 0.169 0.000 1.126 269 F CA -0.769 57.359 58.000 0.214 0.000 0.918 269 F CB 2.237 41.084 39.000 -0.255 0.000 1.199 269 F HN 0.305 nan 8.300 nan 0.000 0.444 270 I N 3.137 123.840 120.570 0.221 0.000 2.465 270 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 270 I C -1.500 174.772 176.117 0.259 0.000 1.014 270 I CA -1.021 60.311 61.300 0.052 0.000 1.093 270 I CB 2.195 39.955 38.000 -0.401 0.000 1.267 270 I HN 0.551 nan 8.210 nan 0.000 0.431 271 Y N 4.555 124.903 120.300 0.081 0.000 2.393 271 Y HA 0.340 4.890 4.550 -0.000 0.000 0.341 271 Y C -0.450 175.461 175.900 0.018 0.000 0.988 271 Y CA -0.556 57.591 58.100 0.079 0.000 1.078 271 Y CB 1.551 40.009 38.460 -0.005 0.000 1.203 271 Y HN 0.474 nan 8.280 nan 0.000 0.453 272 D N 5.718 125.975 120.400 -0.239 0.000 2.456 272 D HA 0.164 4.803 4.640 -0.000 0.000 0.219 272 D C 0.534 176.775 176.300 -0.097 0.000 1.126 272 D CA 0.043 53.981 54.000 -0.103 0.000 0.890 272 D CB 0.879 41.646 40.800 -0.054 0.000 1.025 272 D HN 0.707 nan 8.370 nan 0.000 0.511 273 K N 2.296 122.789 120.400 0.156 0.000 2.077 273 K HA -0.236 4.084 4.320 -0.000 0.000 0.213 273 K C 1.541 178.220 176.600 0.131 0.000 1.051 273 K CA 1.337 57.767 56.287 0.238 0.000 0.929 273 K CB 0.249 32.819 32.500 0.117 0.000 0.715 273 K HN 0.354 nan 8.250 nan 0.000 0.451 274 K N 0.509 120.938 120.400 0.049 0.000 1.975 274 K HA -0.041 4.279 4.320 -0.000 0.000 0.217 274 K C 2.288 178.889 176.600 0.001 0.000 1.037 274 K CA 1.371 57.675 56.287 0.028 0.000 0.971 274 K CB -0.248 32.261 32.500 0.015 0.000 0.749 274 K HN -0.041 nan 8.250 nan 0.000 0.444 275 S N 1.217 116.903 115.700 -0.024 0.000 2.432 275 S HA -0.188 4.282 4.470 -0.000 0.000 0.243 275 S C 0.292 174.827 174.600 -0.107 0.000 1.069 275 S CA 1.545 59.716 58.200 -0.049 0.000 1.047 275 S CB -0.275 62.904 63.200 -0.034 0.000 0.854 275 S HN 0.260 nan 8.310 nan 0.000 0.474 276 K N -0.798 119.492 120.400 -0.183 0.000 3.251 276 K HA -0.119 4.200 4.320 -0.000 0.000 0.282 276 K C -0.758 175.590 176.600 -0.420 0.000 1.201 276 K CA 0.374 56.522 56.287 -0.232 0.000 0.827 276 K CB -2.561 29.922 32.500 -0.028 0.000 1.286 276 K HN 0.362 nan 8.250 nan 0.000 0.503 277 V N 0.606 120.168 119.914 -0.586 0.000 2.769 277 V HA 0.589 4.709 4.120 -0.000 0.000 0.312 277 V C 0.058 175.735 176.094 -0.695 0.000 1.058 277 V CA -1.116 60.819 62.300 -0.609 0.000 0.952 277 V CB 2.148 33.626 31.823 -0.575 0.000 1.019 277 V HN 0.222 nan 8.190 nan 0.000 0.445 278 L N 3.748 124.620 121.223 -0.584 0.000 2.342 278 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 278 L C -1.318 175.364 176.870 -0.313 0.000 0.997 278 L CA -0.162 54.528 54.840 -0.250 0.000 0.838 278 L CB 0.949 43.039 42.059 0.052 0.000 1.224 278 L HN 0.543 nan 8.230 nan 0.000 0.416 279 Y N 4.463 124.796 120.300 0.055 0.000 2.341 279 Y HA 0.600 5.150 4.550 -0.000 0.000 0.340 279 Y C 0.064 176.126 175.900 0.269 0.000 0.997 279 Y CA -0.586 57.618 58.100 0.173 0.000 1.149 279 Y CB 1.508 40.063 38.460 0.160 0.000 1.171 279 Y HN 0.313 nan 8.280 nan 0.000 0.494 280 V N 4.292 124.372 119.914 0.276 0.000 2.581 280 V HA 0.519 4.639 4.120 -0.000 0.000 0.303 280 V C -0.481 175.463 176.094 -0.250 0.000 1.041 280 V CA -1.333 60.934 62.300 -0.056 0.000 0.907 280 V CB 1.898 33.676 31.823 -0.075 0.000 0.994 280 V HN 0.652 nan 8.190 nan 0.000 0.442 281 K N 4.514 124.528 120.400 -0.642 0.000 2.656 281 K HA 0.530 4.850 4.320 -0.000 0.000 0.253 281 K C -1.794 174.486 176.600 -0.534 0.000 1.002 281 K CA -0.509 55.296 56.287 -0.802 0.000 0.880 281 K CB 1.288 32.777 32.500 -1.685 0.000 1.232 281 K HN 0.660 nan 8.250 nan 0.000 0.456 282 L N 4.887 125.917 121.223 -0.322 0.000 2.495 282 L HA 0.281 4.621 4.340 -0.000 0.000 0.248 282 L C -0.322 176.566 176.870 0.030 0.000 1.229 282 L CA -0.624 54.135 54.840 -0.135 0.000 0.942 282 L CB 0.803 42.785 42.059 -0.129 0.000 1.242 282 L HN 0.571 nan 8.230 nan 0.000 0.484 283 H N 4.667 123.687 119.070 -0.083 0.000 2.846 283 H HA 0.135 4.691 4.556 -0.000 0.000 0.278 283 H C 0.089 175.453 175.328 0.060 0.000 1.117 283 H CA -0.290 55.749 56.048 -0.015 0.000 1.406 283 H CB 0.556 30.300 29.762 -0.029 0.000 1.445 283 H HN 0.529 nan 8.280 nan 0.000 0.469 284 N N 2.942 121.661 118.700 0.033 0.000 2.740 284 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 284 N C -0.689 174.816 175.510 -0.009 0.000 1.062 284 N CA 0.682 53.708 53.050 -0.041 0.000 0.704 284 N CB -0.985 37.378 38.487 -0.208 0.000 0.968 284 N HN 0.278 nan 8.380 nan 0.000 0.547 285 V N 0.065 120.016 119.914 0.062 0.000 2.732 285 V HA 0.580 4.700 4.120 -0.000 0.000 0.310 285 V C 0.424 176.560 176.094 0.070 0.000 1.053 285 V CA -0.074 62.245 62.300 0.032 0.000 0.957 285 V CB 2.171 34.012 31.823 0.031 0.000 1.018 285 V HN 0.242 nan 8.190 nan 0.000 0.452 286 T N 4.179 118.740 114.554 0.013 0.000 2.888 286 T HA 0.668 5.018 4.350 -0.000 0.000 0.284 286 T C -0.735 173.940 174.700 -0.042 0.000 1.017 286 T CA -0.424 61.694 62.100 0.031 0.000 1.022 286 T CB 1.500 70.369 68.868 0.003 0.000 1.013 286 T HN 0.820 nan 8.240 nan 0.000 0.465 287 S N -0.205 115.479 115.700 -0.027 0.000 2.537 287 S HA 0.583 5.053 4.470 -0.000 0.000 0.271 287 S C 0.405 175.008 174.600 0.005 0.000 1.148 287 S CA -0.251 57.876 58.200 -0.121 0.000 0.868 287 S CB 1.133 64.100 63.200 -0.389 0.000 1.115 287 S HN 0.830 nan 8.310 nan 0.000 0.461 288 A N 3.318 126.126 122.820 -0.020 0.000 2.238 288 A HA 0.365 4.685 4.320 -0.000 0.000 0.208 288 A C 0.523 178.150 177.584 0.071 0.000 1.177 288 A CA 0.169 52.247 52.037 0.068 0.000 0.804 288 A CB -0.340 18.668 19.000 0.015 0.000 0.823 288 A HN 0.708 nan 8.150 nan 0.000 0.482 289 L N 1.393 122.574 121.223 -0.069 0.000 2.270 289 L HA 0.237 4.577 4.340 -0.000 0.000 0.286 289 L C -0.298 176.513 176.870 -0.098 0.000 1.059 289 L CA -0.589 54.167 54.840 -0.140 0.000 0.839 289 L CB 0.571 42.424 42.059 -0.343 0.000 1.221 289 L HN 0.284 nan 8.230 nan 0.000 0.431 290 N N 5.289 123.911 118.700 -0.129 0.000 2.955 290 N HA 0.249 4.989 4.740 -0.000 0.000 0.242 290 N C -1.015 174.508 175.510 0.022 0.000 1.123 290 N CA -0.507 52.401 53.050 -0.236 0.000 0.949 290 N CB 0.398 38.243 38.487 -1.071 0.000 1.214 290 N HN 0.548 nan 8.380 nan 0.000 0.504 291 K N 0.393 120.960 120.400 0.278 0.000 2.466 291 K HA 0.526 4.846 4.320 -0.000 0.000 0.260 291 K C -0.957 175.900 176.600 0.429 0.000 1.011 291 K CA -1.050 55.414 56.287 0.295 0.000 0.871 291 K CB 0.915 33.573 32.500 0.263 0.000 1.404 291 K HN -0.030 nan 8.250 nan 0.000 0.450 292 N N 0.225 119.086 118.700 0.268 0.000 2.508 292 N HA 0.257 4.997 4.740 -0.000 0.000 0.285 292 N C -0.949 174.637 175.510 0.127 0.000 1.144 292 N CA -0.531 52.623 53.050 0.173 0.000 0.978 292 N CB 1.774 40.271 38.487 0.017 0.000 1.180 292 N HN 0.317 nan 8.380 nan 0.000 0.484 293 V N 2.758 122.652 119.914 -0.033 0.000 2.364 293 V HA 0.277 4.397 4.120 -0.000 0.000 0.272 293 V C 0.153 176.219 176.094 -0.048 0.000 1.036 293 V CA -0.532 61.770 62.300 0.003 0.000 0.880 293 V CB 0.628 32.465 31.823 0.023 0.000 0.991 293 V HN 0.427 nan 8.190 nan 0.000 0.460 294 I N 6.489 127.062 120.570 0.006 0.000 2.392 294 I HA 0.579 4.749 4.170 -0.000 0.000 0.295 294 I C -0.059 176.065 176.117 0.011 0.000 0.985 294 I CA 0.264 61.563 61.300 -0.002 0.000 1.221 294 I CB 1.516 39.539 38.000 0.040 0.000 1.366 294 I HN 0.444 nan 8.210 nan 0.000 0.467 295 L N 5.646 126.882 121.223 0.022 0.000 2.194 295 L HA 0.628 4.968 4.340 -0.000 0.000 0.248 295 L C -0.579 176.311 176.870 0.034 0.000 1.071 295 L CA -0.815 54.042 54.840 0.030 0.000 0.901 295 L CB 1.282 43.391 42.059 0.082 0.000 1.497 295 L HN 0.375 nan 8.230 nan 0.000 0.442 296 N N -0.164 118.556 118.700 0.034 0.000 2.346 296 N HA 0.334 5.074 4.740 -0.000 0.000 0.289 296 N C -1.080 174.457 175.510 0.046 0.000 1.027 296 N CA -0.416 52.655 53.050 0.035 0.000 0.864 296 N CB 2.099 40.597 38.487 0.017 0.000 1.370 296 N HN 0.701 nan 8.380 nan 0.000 0.481 297 T N -0.377 114.200 114.554 0.038 0.000 2.888 297 T HA 0.220 4.570 4.350 -0.000 0.000 0.301 297 T C 1.060 175.779 174.700 0.033 0.000 1.001 297 T CA -0.451 61.667 62.100 0.030 0.000 1.147 297 T CB -0.047 68.826 68.868 0.009 0.000 0.931 297 T HN 0.369 nan 8.240 nan 0.000 0.541 298 I N 3.784 124.379 120.570 0.042 0.000 3.311 298 I HA -0.114 4.056 4.170 -0.000 0.000 0.304 298 I C 1.210 177.343 176.117 0.027 0.000 1.245 298 I CA 0.079 61.405 61.300 0.043 0.000 1.369 298 I CB -0.517 37.510 38.000 0.045 0.000 1.433 298 I HN 0.757 nan 8.210 nan 0.000 0.525 299 K N 0.000 120.415 120.400 0.025 0.000 2.780 299 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 299 K CA 0.000 56.297 56.287 0.017 0.000 0.838 299 K CB 0.000 32.510 32.500 0.016 0.000 1.064 299 K HN 0.000 nan 8.250 nan 0.000 0.543