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 3gli_1_H DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKALDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLGT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.030 176.000 0.049 0.000 1.003 4 Q CA 0.000 55.824 55.803 0.036 0.000 1.022 4 Q CB 0.000 28.755 28.738 0.029 0.000 1.108 5 V N 2.625 122.570 119.914 0.053 0.000 2.357 5 V HA 0.280 4.397 4.120 -0.004 0.000 0.284 5 V C 1.504 177.660 176.094 0.103 0.000 1.018 5 V CA -0.132 62.206 62.300 0.063 0.000 0.841 5 V CB 1.085 32.935 31.823 0.045 0.000 0.991 5 V HN 0.633 nan 8.190 nan 0.000 0.437 6 L N 3.752 125.052 121.223 0.128 0.000 1.989 6 L HA -0.179 4.159 4.340 -0.004 0.000 0.211 6 L C 2.689 179.689 176.870 0.218 0.000 1.071 6 L CA 2.072 57.043 54.840 0.220 0.000 0.749 6 L CB -0.431 41.698 42.059 0.117 0.000 0.890 6 L HN 0.846 nan 8.230 nan 0.000 0.431 7 A N -0.145 122.745 122.820 0.116 0.000 1.929 7 A HA -0.327 3.991 4.320 -0.004 0.000 0.221 7 A C 2.441 180.083 177.584 0.097 0.000 1.211 7 A CA 2.445 54.535 52.037 0.088 0.000 0.657 7 A CB -0.697 18.333 19.000 0.050 0.000 0.827 7 A HN 0.383 nan 8.150 nan 0.000 0.462 8 R N -0.890 119.658 120.500 0.079 0.000 2.080 8 R HA -0.018 4.319 4.340 -0.004 0.000 0.222 8 R C 2.335 178.653 176.300 0.030 0.000 1.107 8 R CA 1.310 57.437 56.100 0.045 0.000 0.980 8 R CB -0.236 30.078 30.300 0.023 0.000 0.879 8 R HN 0.591 nan 8.270 nan 0.000 0.439 9 K N -0.581 119.846 120.400 0.045 0.000 2.209 9 K HA -0.155 4.162 4.320 -0.004 0.000 0.204 9 K C 0.832 177.267 176.600 -0.275 0.000 1.048 9 K CA 1.270 57.498 56.287 -0.099 0.000 0.940 9 K CB 0.023 32.477 32.500 -0.077 0.000 0.729 9 K HN 0.199 nan 8.250 nan 0.000 0.451 10 W N 1.588 122.886 121.300 -0.004 0.000 3.278 10 W HA 0.209 4.867 4.660 -0.004 0.000 0.308 10 W C 0.210 176.720 176.519 -0.016 0.000 1.253 10 W CA -0.647 56.697 57.345 -0.002 0.000 1.759 10 W CB 0.283 29.747 29.460 0.007 0.000 1.093 10 W HN -0.094 nan 8.180 nan 0.000 0.648 11 R N 2.515 123.065 120.500 0.083 0.000 2.504 11 R HA -0.010 4.328 4.340 -0.004 0.000 0.291 11 R C -2.305 173.996 176.300 0.002 0.000 0.974 11 R CA -0.955 55.163 56.100 0.029 0.000 1.077 11 R CB 0.192 30.485 30.300 -0.011 0.000 0.926 11 R HN -0.173 nan 8.270 nan 0.000 0.407 12 P HA 0.021 nan 4.420 nan 0.000 0.268 12 P C -0.437 176.839 177.300 -0.040 0.000 1.205 12 P CA -0.102 62.992 63.100 -0.010 0.000 0.771 12 P CB 0.891 32.565 31.700 -0.044 0.000 0.858 13 Q N 0.148 119.932 119.800 -0.027 0.000 2.281 13 Q HA 0.134 4.472 4.340 -0.004 0.000 0.215 13 Q C 0.530 176.535 176.000 0.008 0.000 0.867 13 Q CA 0.706 56.491 55.803 -0.030 0.000 0.940 13 Q CB 0.405 29.113 28.738 -0.049 0.000 1.111 13 Q HN 0.636 nan 8.270 nan 0.000 0.513 14 T N -4.421 110.156 114.554 0.039 0.000 2.816 14 T HA 0.432 4.780 4.350 -0.004 0.000 0.299 14 T C 0.387 175.202 174.700 0.192 0.000 1.230 14 T CA -0.653 61.524 62.100 0.129 0.000 1.007 14 T CB 0.190 69.104 68.868 0.076 0.000 1.289 14 T HN -0.223 nan 8.240 nan 0.000 0.508 15 F N 0.994 120.898 119.950 -0.077 0.000 2.171 15 F HA 0.133 4.658 4.527 -0.004 0.000 0.300 15 F C 3.018 178.778 175.800 -0.067 0.000 1.090 15 F CA 1.108 59.058 58.000 -0.083 0.000 1.293 15 F CB -1.379 37.569 39.000 -0.086 0.000 1.013 15 F HN 0.851 nan 8.300 nan 0.000 0.486 16 A N 0.153 123.061 122.820 0.148 0.000 1.915 16 A HA -0.261 4.056 4.320 -0.004 0.000 0.220 16 A C 1.777 179.371 177.584 0.016 0.000 1.198 16 A CA 2.383 54.454 52.037 0.057 0.000 0.647 16 A CB -0.934 18.090 19.000 0.040 0.000 0.825 16 A HN 0.353 nan 8.150 nan 0.000 0.456 17 D N -0.733 119.677 120.400 0.018 0.000 2.328 17 D HA 0.175 4.813 4.640 -0.004 0.000 0.226 17 D C 0.022 176.306 176.300 -0.026 0.000 1.066 17 D CA 0.118 54.121 54.000 0.004 0.000 0.861 17 D CB 0.004 40.830 40.800 0.042 0.000 0.912 17 D HN 0.203 nan 8.370 nan 0.000 0.521 18 V N 1.589 121.464 119.914 -0.064 0.000 2.498 18 V HA 0.087 4.205 4.120 -0.004 0.000 0.279 18 V C 0.688 176.728 176.094 -0.091 0.000 1.048 18 V CA -0.658 61.576 62.300 -0.110 0.000 0.967 18 V CB 1.996 33.694 31.823 -0.207 0.000 0.988 18 V HN -0.181 nan 8.190 nan 0.000 0.473 19 V N 5.737 125.603 119.914 -0.080 0.000 2.488 19 V HA 0.584 4.702 4.120 -0.004 0.000 0.277 19 V C 1.184 177.239 176.094 -0.065 0.000 1.046 19 V CA 1.040 63.297 62.300 -0.070 0.000 0.986 19 V CB 0.298 32.089 31.823 -0.053 0.000 0.989 19 V HN 1.303 nan 8.190 nan 0.000 0.475 20 G N 4.367 113.135 108.800 -0.054 0.000 2.578 20 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.284 20 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.284 20 G C 0.102 174.976 174.900 -0.043 0.000 1.283 20 G CA 0.274 45.358 45.100 -0.026 0.000 0.944 20 G HN 1.063 nan 8.290 nan 0.000 0.558 21 Q N -1.960 117.834 119.800 -0.010 0.000 2.502 21 Q HA -0.191 4.147 4.340 -0.004 0.000 0.273 21 Q C 1.242 177.134 176.000 -0.181 0.000 1.127 21 Q CA 1.922 57.647 55.803 -0.131 0.000 0.952 21 Q CB -1.775 26.849 28.738 -0.190 0.000 1.333 21 Q HN 0.874 nan 8.270 nan 0.000 0.494 22 E N -0.313 119.877 120.200 -0.016 0.000 2.118 22 E HA -0.199 4.149 4.350 -0.004 0.000 0.195 22 E C 1.566 178.186 176.600 0.033 0.000 0.992 22 E CA 1.900 58.309 56.400 0.014 0.000 0.804 22 E CB -0.336 29.401 29.700 0.062 0.000 0.741 22 E HN 0.902 nan 8.360 nan 0.000 0.458 23 H N -1.725 117.398 119.070 0.088 0.000 2.491 23 H HA 0.034 4.588 4.556 -0.003 0.000 0.290 23 H C 1.571 177.030 175.328 0.218 0.000 1.050 23 H CA 1.085 57.214 56.048 0.135 0.000 1.309 23 H CB -0.146 29.693 29.762 0.129 0.000 1.392 23 H HN 0.013 nan 8.280 nan 0.000 0.554 24 V N 0.961 120.682 119.914 -0.320 0.000 2.391 24 V HA -0.091 4.027 4.120 -0.004 0.000 0.237 24 V C 2.553 178.560 176.094 -0.146 0.000 1.046 24 V CA 0.910 63.127 62.300 -0.138 0.000 1.053 24 V CB -0.563 31.108 31.823 -0.253 0.000 0.704 24 V HN 0.346 nan 8.190 nan 0.000 0.475 25 L N 0.185 121.308 121.223 -0.166 0.000 2.021 25 L HA -0.280 4.057 4.340 -0.004 0.000 0.215 25 L C 2.586 179.506 176.870 0.085 0.000 1.074 25 L CA 2.281 57.095 54.840 -0.044 0.000 0.760 25 L CB -1.200 40.838 42.059 -0.034 0.000 0.889 25 L HN 0.378 nan 8.230 nan 0.000 0.433 26 T N -0.518 114.076 114.554 0.068 0.000 2.881 26 T HA -0.091 4.256 4.350 -0.004 0.000 0.270 26 T C 1.879 176.651 174.700 0.120 0.000 1.068 26 T CA 1.150 63.307 62.100 0.096 0.000 1.131 26 T CB -0.044 68.881 68.868 0.095 0.000 0.871 26 T HN 0.481 nan 8.240 nan 0.000 0.479 27 A N 1.157 124.073 122.820 0.161 0.000 1.843 27 A HA 0.118 4.436 4.320 -0.004 0.000 0.213 27 A C 2.217 179.900 177.584 0.164 0.000 1.202 27 A CA 0.900 53.074 52.037 0.227 0.000 0.607 27 A CB -0.826 18.457 19.000 0.471 0.000 0.847 27 A HN 0.441 nan 8.150 nan 0.000 0.445 28 L N -0.389 120.880 121.223 0.078 0.000 2.043 28 L HA -0.262 4.075 4.340 -0.004 0.000 0.212 28 L C 3.068 179.969 176.870 0.052 0.000 1.075 28 L CA 1.351 56.214 54.840 0.039 0.000 0.752 28 L CB -0.574 41.483 42.059 -0.005 0.000 0.891 28 L HN 0.456 nan 8.230 nan 0.000 0.432 29 A N -0.101 122.758 122.820 0.064 0.000 1.873 29 A HA -0.194 4.124 4.320 -0.004 0.000 0.215 29 A C 2.076 179.661 177.584 0.002 0.000 1.186 29 A CA 1.805 53.827 52.037 -0.025 0.000 0.616 29 A CB -0.586 18.399 19.000 -0.025 0.000 0.823 29 A HN 0.398 nan 8.150 nan 0.000 0.442 30 N N 0.250 118.978 118.700 0.046 0.000 2.104 30 N HA -0.123 4.615 4.740 -0.004 0.000 0.190 30 N C 1.750 177.299 175.510 0.064 0.000 1.024 30 N CA 1.616 54.699 53.050 0.056 0.000 0.853 30 N CB -0.689 37.846 38.487 0.080 0.000 1.008 30 N HN 0.480 nan 8.380 nan 0.000 0.424 31 G N 0.559 109.413 108.800 0.090 0.000 2.394 31 G HA2 -0.077 3.880 3.960 -0.004 0.000 0.215 31 G HA3 -0.077 3.880 3.960 -0.004 0.000 0.215 31 G C 1.680 176.626 174.900 0.076 0.000 1.165 31 G CA 0.188 45.354 45.100 0.110 0.000 0.784 31 G HN 0.193 nan 8.290 nan 0.000 0.535 32 L N 1.438 122.682 121.223 0.036 0.000 1.955 32 L HA -0.160 4.178 4.340 -0.004 0.000 0.213 32 L C 3.371 180.246 176.870 0.009 0.000 1.072 32 L CA 1.886 56.728 54.840 0.004 0.000 0.755 32 L CB -0.730 41.293 42.059 -0.061 0.000 0.888 32 L HN 0.458 nan 8.230 nan 0.000 0.432 33 S N -0.180 115.514 115.700 -0.009 0.000 2.420 33 S HA -0.206 4.262 4.470 -0.004 0.000 0.237 33 S C 1.851 176.463 174.600 0.019 0.000 1.023 33 S CA 1.136 59.334 58.200 -0.004 0.000 0.991 33 S CB -0.644 62.547 63.200 -0.015 0.000 0.792 33 S HN 0.400 nan 8.310 nan 0.000 0.488 34 L N 0.837 122.081 121.223 0.034 0.000 2.552 34 L HA 0.177 4.515 4.340 -0.004 0.000 0.227 34 L C 2.152 179.054 176.870 0.054 0.000 1.146 34 L CA 0.562 55.429 54.840 0.045 0.000 0.858 34 L CB -0.912 41.181 42.059 0.057 0.000 0.969 34 L HN 0.674 nan 8.230 nan 0.000 0.451 35 G N 0.650 109.484 108.800 0.057 0.000 2.228 35 G HA2 -0.345 3.613 3.960 -0.004 0.000 0.270 35 G HA3 -0.345 3.613 3.960 -0.004 0.000 0.270 35 G C 0.500 175.453 174.900 0.088 0.000 0.976 35 G CA 0.114 45.256 45.100 0.071 0.000 0.636 35 G HN 0.431 nan 8.290 nan 0.000 0.542 36 R N 0.349 120.903 120.500 0.091 0.000 2.272 36 R HA 0.535 4.873 4.340 -0.004 0.000 0.334 36 R C -0.079 176.312 176.300 0.152 0.000 1.117 36 R CA 0.086 56.251 56.100 0.108 0.000 0.966 36 R CB 0.341 30.701 30.300 0.100 0.000 1.049 36 R HN 0.349 nan 8.270 nan 0.000 0.477 37 I N 2.382 123.047 120.570 0.159 0.000 2.466 37 I HA 0.225 4.393 4.170 -0.004 0.000 0.289 37 I C 0.604 176.853 176.117 0.221 0.000 1.026 37 I CA -0.857 60.579 61.300 0.227 0.000 1.078 37 I CB 1.916 40.009 38.000 0.154 0.000 1.249 37 I HN 0.519 nan 8.210 nan 0.000 0.429 38 H N 5.377 124.552 119.070 0.175 0.000 2.408 38 H HA 0.269 4.823 4.556 -0.004 0.000 0.345 38 H C 0.291 175.637 175.328 0.031 0.000 1.547 38 H CA 0.361 56.334 56.048 -0.125 0.000 1.447 38 H CB 1.147 30.529 29.762 -0.634 0.000 1.686 38 H HN 0.697 nan 8.280 nan 0.000 0.625 39 H N -1.249 117.929 119.070 0.180 0.000 3.170 39 H HA 0.451 5.005 4.556 -0.004 0.000 0.264 39 H C -0.733 174.811 175.328 0.361 0.000 1.113 39 H CA -0.041 56.149 56.048 0.236 0.000 1.194 39 H CB 0.709 30.563 29.762 0.153 0.000 1.553 39 H HN 0.361 nan 8.280 nan 0.000 0.538 40 A N 1.287 124.224 122.820 0.195 0.000 2.410 40 A HA 0.487 4.805 4.320 -0.004 0.000 0.289 40 A C -1.958 175.489 177.584 -0.229 0.000 1.200 40 A CA -0.532 51.594 52.037 0.149 0.000 0.751 40 A CB 0.508 19.590 19.000 0.135 0.000 1.161 40 A HN 0.264 nan 8.150 nan 0.000 0.459 41 Y N 1.701 122.013 120.300 0.021 0.000 2.331 41 Y HA 0.554 5.102 4.550 -0.004 0.000 0.338 41 Y C -0.088 175.645 175.900 -0.279 0.000 0.992 41 Y CA -0.592 57.413 58.100 -0.160 0.000 1.121 41 Y CB 1.944 40.340 38.460 -0.107 0.000 1.184 41 Y HN 0.643 nan 8.280 nan 0.000 0.469 42 L N 4.836 125.881 121.223 -0.297 0.000 2.322 42 L HA 0.667 5.005 4.340 -0.004 0.000 0.281 42 L C -1.898 174.766 176.870 -0.343 0.000 1.014 42 L CA -0.689 54.023 54.840 -0.214 0.000 0.815 42 L CB 0.406 42.410 42.059 -0.091 0.000 1.247 42 L HN 0.360 nan 8.230 nan 0.000 0.421 43 F N 3.415 123.460 119.950 0.158 0.000 2.493 43 F HA 0.738 5.263 4.527 -0.004 0.000 0.329 43 F C 0.216 176.046 175.800 0.050 0.000 1.126 43 F CA -0.302 57.769 58.000 0.118 0.000 0.937 43 F CB 2.156 41.198 39.000 0.070 0.000 1.146 43 F HN 0.592 nan 8.300 nan 0.000 0.442 44 S N 1.196 116.987 115.700 0.152 0.000 2.661 44 S HA 1.028 5.496 4.470 -0.004 0.000 0.285 44 S C -0.464 173.916 174.600 -0.366 0.000 1.138 44 S CA -0.644 57.519 58.200 -0.063 0.000 0.855 44 S CB 2.090 65.274 63.200 -0.027 0.000 1.136 44 S HN 1.444 nan 8.310 nan 0.000 0.484 45 G N 0.571 109.157 108.800 -0.356 0.000 2.321 45 G HA2 0.393 4.351 3.960 -0.004 0.000 0.339 45 G HA3 0.393 4.351 3.960 -0.004 0.000 0.339 45 G C -0.522 174.338 174.900 -0.067 0.000 1.518 45 G CA -0.330 44.609 45.100 -0.268 0.000 0.994 45 G HN 1.294 nan 8.290 nan 0.000 0.668 46 T N -0.213 114.336 114.554 -0.009 0.000 2.766 46 T HA 0.541 4.889 4.350 -0.004 0.000 0.295 46 T C 1.094 175.796 174.700 0.003 0.000 1.024 46 T CA -0.198 61.907 62.100 0.008 0.000 1.018 46 T CB 0.623 69.505 68.868 0.023 0.000 1.002 46 T HN 1.208 nan 8.240 nan 0.000 0.532 47 R N 0.397 120.901 120.500 0.008 0.000 2.619 47 R HA 0.190 4.528 4.340 -0.004 0.000 0.268 47 R C 1.001 177.304 176.300 0.004 0.000 0.990 47 R CA 0.666 56.772 56.100 0.010 0.000 1.092 47 R CB -1.469 28.840 30.300 0.014 0.000 0.935 47 R HN 1.547 nan 8.270 nan 0.000 0.415 48 G N 1.501 110.301 108.800 0.000 0.000 2.143 48 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.248 48 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.248 48 G C 0.284 175.176 174.900 -0.014 0.000 0.991 48 G CA 0.118 45.215 45.100 -0.005 0.000 0.689 48 G HN 0.514 nan 8.290 nan 0.000 0.522 49 V N -0.655 119.246 119.914 -0.021 0.000 3.647 49 V HA 0.552 4.670 4.120 -0.004 0.000 0.279 49 V C 2.041 178.102 176.094 -0.055 0.000 1.314 49 V CA 1.220 63.504 62.300 -0.025 0.000 1.125 49 V CB 0.044 31.860 31.823 -0.012 0.000 0.907 49 V HN 1.878 nan 8.190 nan 0.000 0.434 50 G N 1.140 109.896 108.800 -0.072 0.000 2.205 50 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.180 50 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.180 50 G C 0.914 175.702 174.900 -0.186 0.000 1.004 50 G CA 0.248 45.274 45.100 -0.123 0.000 0.670 50 G HN 0.492 nan 8.290 nan 0.000 0.496 51 K N 0.031 120.343 120.400 -0.147 0.000 1.973 51 K HA -0.054 4.264 4.320 -0.004 0.000 0.212 51 K C 2.139 178.586 176.600 -0.254 0.000 1.047 51 K CA 1.843 58.008 56.287 -0.205 0.000 0.937 51 K CB -1.085 31.396 32.500 -0.032 0.000 0.721 51 K HN 0.132 nan 8.250 nan 0.000 0.440 52 T N 1.893 116.374 114.554 -0.122 0.000 2.620 52 T HA -0.199 4.149 4.350 -0.004 0.000 0.267 52 T C 2.292 176.895 174.700 -0.161 0.000 1.044 52 T CA 2.447 64.488 62.100 -0.100 0.000 1.161 52 T CB -0.522 68.323 68.868 -0.038 0.000 0.862 52 T HN 0.492 nan 8.240 nan 0.000 0.438 53 S N 1.170 116.771 115.700 -0.166 0.000 2.402 53 S HA 0.045 4.513 4.470 -0.004 0.000 0.229 53 S C 2.072 176.505 174.600 -0.279 0.000 1.021 53 S CA 0.635 58.729 58.200 -0.178 0.000 0.974 53 S CB -0.504 62.618 63.200 -0.130 0.000 0.800 53 S HN 0.410 nan 8.310 nan 0.000 0.484 54 I N 2.322 122.654 120.570 -0.398 0.000 2.113 54 I HA -0.241 3.927 4.170 -0.004 0.000 0.238 54 I C 3.037 178.797 176.117 -0.596 0.000 1.070 54 I CA 1.306 62.254 61.300 -0.587 0.000 1.332 54 I CB -0.929 36.634 38.000 -0.728 0.000 1.044 54 I HN 0.350 nan 8.210 nan 0.000 0.402 55 A N 0.907 123.320 122.820 -0.678 0.000 1.915 55 A HA -0.292 4.026 4.320 -0.004 0.000 0.220 55 A C 2.375 179.831 177.584 -0.213 0.000 1.198 55 A CA 2.058 53.823 52.037 -0.452 0.000 0.647 55 A CB -0.821 18.038 19.000 -0.236 0.000 0.825 55 A HN 0.373 nan 8.150 nan 0.000 0.456 56 R N -0.869 119.524 120.500 -0.178 0.000 2.081 56 R HA -0.059 4.279 4.340 -0.004 0.000 0.235 56 R C 2.155 178.400 176.300 -0.091 0.000 1.131 56 R CA 1.401 57.440 56.100 -0.101 0.000 0.960 56 R CB -0.526 29.722 30.300 -0.085 0.000 0.856 56 R HN 0.556 nan 8.270 nan 0.000 0.436 57 L N 0.443 121.587 121.223 -0.131 0.000 2.042 57 L HA -0.229 4.108 4.340 -0.004 0.000 0.210 57 L C 2.430 179.364 176.870 0.106 0.000 1.076 57 L CA 0.825 55.655 54.840 -0.016 0.000 0.749 57 L CB -0.445 41.517 42.059 -0.160 0.000 0.893 57 L HN 0.212 nan 8.230 nan 0.000 0.432 58 L N 0.185 121.404 121.223 -0.007 0.000 2.012 58 L HA -0.187 4.151 4.340 -0.004 0.000 0.210 58 L C 2.678 179.525 176.870 -0.039 0.000 1.073 58 L CA 2.146 56.992 54.840 0.010 0.000 0.748 58 L CB -0.909 41.087 42.059 -0.104 0.000 0.891 58 L HN 0.168 nan 8.230 nan 0.000 0.431 59 A N -0.621 122.172 122.820 -0.044 0.000 1.873 59 A HA -0.320 3.998 4.320 -0.004 0.000 0.218 59 A C 2.477 180.033 177.584 -0.047 0.000 1.193 59 A CA 2.245 54.261 52.037 -0.034 0.000 0.629 59 A CB -0.770 18.225 19.000 -0.008 0.000 0.826 59 A HN 0.498 nan 8.150 nan 0.000 0.447 60 K N -0.934 119.431 120.400 -0.058 0.000 2.152 60 K HA -0.139 4.178 4.320 -0.004 0.000 0.206 60 K C 1.823 178.374 176.600 -0.080 0.000 1.048 60 K CA 1.342 57.572 56.287 -0.095 0.000 0.933 60 K CB -0.382 32.077 32.500 -0.069 0.000 0.721 60 K HN 0.467 nan 8.250 nan 0.000 0.447 61 G N 0.276 109.049 108.800 -0.046 0.000 2.539 61 G HA2 -0.081 3.877 3.960 -0.004 0.000 0.215 61 G HA3 -0.081 3.877 3.960 -0.004 0.000 0.215 61 G C 1.338 176.202 174.900 -0.059 0.000 1.141 61 G CA -0.126 44.923 45.100 -0.084 0.000 0.806 61 G HN 0.153 nan 8.290 nan 0.000 0.533 62 L N 0.209 121.407 121.223 -0.041 0.000 2.275 62 L HA 0.066 4.404 4.340 -0.004 0.000 0.215 62 L C 1.641 178.608 176.870 0.162 0.000 1.119 62 L CA 0.661 55.507 54.840 0.009 0.000 0.790 62 L CB 0.021 42.009 42.059 -0.119 0.000 0.919 62 L HN 0.123 nan 8.230 nan 0.000 0.443 63 N N -1.722 117.022 118.700 0.074 0.000 2.177 63 N HA 0.050 4.788 4.740 -0.004 0.000 0.218 63 N C -0.146 175.349 175.510 -0.024 0.000 1.182 63 N CA -0.137 52.962 53.050 0.080 0.000 0.882 63 N CB 0.212 38.735 38.487 0.061 0.000 1.052 63 N HN 0.089 nan 8.380 nan 0.000 0.519 64 C N 1.902 121.175 119.300 -0.045 0.000 2.592 64 C HA 0.037 4.495 4.460 -0.004 0.000 0.408 64 C C 1.922 176.892 174.990 -0.033 0.000 1.436 64 C CA -0.084 58.893 59.018 -0.067 0.000 1.595 64 C CB -0.441 27.257 27.740 -0.069 0.000 2.487 64 C HN 0.460 nan 8.230 nan 0.000 0.610 65 E N 2.024 122.201 120.200 -0.037 0.000 2.273 65 E HA -0.207 4.141 4.350 -0.004 0.000 0.198 65 E C 2.113 178.704 176.600 -0.014 0.000 1.002 65 E CA 1.844 58.235 56.400 -0.014 0.000 0.828 65 E CB -0.023 29.671 29.700 -0.010 0.000 0.747 65 E HN 1.017 nan 8.360 nan 0.000 0.491 66 T N -1.923 112.617 114.554 -0.023 0.000 2.962 66 T HA 0.089 4.437 4.350 -0.004 0.000 0.270 66 T C 0.878 175.569 174.700 -0.015 0.000 1.088 66 T CA 0.846 62.933 62.100 -0.021 0.000 1.127 66 T CB 0.264 69.114 68.868 -0.031 0.000 0.883 66 T HN 0.278 nan 8.240 nan 0.000 0.493 67 G N 0.128 108.922 108.800 -0.009 0.000 2.369 67 G HA2 0.249 4.207 3.960 -0.004 0.000 0.307 67 G HA3 0.249 4.207 3.960 -0.004 0.000 0.307 67 G C -1.319 173.589 174.900 0.012 0.000 1.327 67 G CA -0.773 44.330 45.100 0.005 0.000 0.963 67 G HN 0.396 nan 8.290 nan 0.000 0.590 68 I N 1.711 122.304 120.570 0.038 0.000 2.406 68 I HA 0.432 4.600 4.170 -0.004 0.000 0.293 68 I C 0.658 176.767 176.117 -0.014 0.000 1.101 68 I CA 0.336 61.663 61.300 0.045 0.000 1.334 68 I CB 0.917 38.980 38.000 0.106 0.000 1.421 68 I HN 0.518 nan 8.210 nan 0.000 0.513 69 T N 3.926 118.441 114.554 -0.064 0.000 2.916 69 T HA 0.532 4.880 4.350 -0.004 0.000 0.305 69 T C 0.600 175.168 174.700 -0.220 0.000 1.119 69 T CA -0.274 61.756 62.100 -0.116 0.000 1.008 69 T CB 1.762 70.568 68.868 -0.103 0.000 1.129 69 T HN 0.542 nan 8.240 nan 0.000 0.480 70 A N 1.991 124.632 122.820 -0.298 0.000 2.206 70 A HA 0.229 4.547 4.320 -0.004 0.000 0.211 70 A C 1.172 178.341 177.584 -0.692 0.000 1.158 70 A CA 1.012 52.692 52.037 -0.596 0.000 0.761 70 A CB -0.423 18.277 19.000 -0.499 0.000 0.801 70 A HN 0.897 nan 8.150 nan 0.000 0.473 71 T N 0.156 114.493 114.554 -0.362 0.000 3.378 71 T HA 0.439 4.787 4.350 -0.004 0.000 0.359 71 T C -2.807 171.792 174.700 -0.168 0.000 1.815 71 T CA -1.920 60.032 62.100 -0.245 0.000 1.509 71 T CB 0.485 69.263 68.868 -0.150 0.000 1.049 71 T HN 0.147 nan 8.240 nan 0.000 0.705 72 P HA 0.078 nan 4.420 nan 0.000 0.267 72 P C 1.387 178.641 177.300 -0.076 0.000 1.200 72 P CA -0.421 62.614 63.100 -0.108 0.000 0.772 72 P CB 0.702 32.349 31.700 -0.088 0.000 0.855 73 C N 0.052 119.311 119.300 -0.068 0.000 2.495 73 C HA 0.275 4.733 4.460 -0.004 0.000 0.275 73 C C 1.891 176.852 174.990 -0.048 0.000 1.392 73 C CA 0.503 59.489 59.018 -0.054 0.000 1.766 73 C CB -1.656 26.055 27.740 -0.048 0.000 1.933 73 C HN 0.755 nan 8.230 nan 0.000 0.519 74 G N 0.686 109.452 108.800 -0.057 0.000 2.187 74 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.261 74 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.261 74 G C 0.741 175.612 174.900 -0.049 0.000 1.000 74 G CA 1.174 46.241 45.100 -0.055 0.000 0.718 74 G HN 1.758 nan 8.290 nan 0.000 0.519 75 V N -2.889 116.997 119.914 -0.047 0.000 3.426 75 V HA 0.316 4.434 4.120 -0.004 0.000 0.271 75 V C 1.688 177.761 176.094 -0.035 0.000 1.530 75 V CA 0.853 63.131 62.300 -0.037 0.000 1.021 75 V CB -0.579 31.227 31.823 -0.029 0.000 0.824 75 V HN 1.304 nan 8.190 nan 0.000 0.432 76 C N 0.700 119.974 119.300 -0.042 0.000 2.656 76 C HA 0.425 4.883 4.460 -0.004 0.000 0.391 76 C C 1.761 176.729 174.990 -0.037 0.000 1.300 76 C CA 0.451 59.448 59.018 -0.035 0.000 2.302 76 C CB 0.543 28.259 27.740 -0.040 0.000 2.655 76 C HN 0.569 nan 8.230 nan 0.000 0.656 77 D N 1.416 121.809 120.400 -0.011 0.000 2.172 77 D HA -0.142 4.495 4.640 -0.004 0.000 0.196 77 D C 1.743 178.040 176.300 -0.005 0.000 0.999 77 D CA 1.906 55.914 54.000 0.013 0.000 0.856 77 D CB -0.264 40.564 40.800 0.047 0.000 0.934 77 D HN 0.709 nan 8.370 nan 0.000 0.453 78 N N -0.414 118.247 118.700 -0.065 0.000 2.142 78 N HA -0.092 4.646 4.740 -0.004 0.000 0.186 78 N C 1.927 177.161 175.510 -0.460 0.000 1.023 78 N CA 0.634 53.494 53.050 -0.318 0.000 0.852 78 N CB -0.629 37.678 38.487 -0.302 0.000 0.998 78 N HN 0.236 nan 8.380 nan 0.000 0.424 79 C N 0.470 119.620 119.300 -0.251 0.000 2.489 79 C HA 0.089 4.546 4.460 -0.004 0.000 0.279 79 C C 2.630 177.533 174.990 -0.145 0.000 1.266 79 C CA 0.136 59.033 59.018 -0.202 0.000 1.707 79 C CB -0.762 26.901 27.740 -0.128 0.000 2.059 79 C HN 0.457 nan 8.230 nan 0.000 0.481 80 R N 0.760 121.202 120.500 -0.096 0.000 2.083 80 R HA -0.154 4.184 4.340 -0.004 0.000 0.237 80 R C 1.996 178.271 176.300 -0.041 0.000 1.137 80 R CA 1.539 57.605 56.100 -0.058 0.000 0.951 80 R CB -0.331 29.948 30.300 -0.035 0.000 0.851 80 R HN 0.655 nan 8.270 nan 0.000 0.434 81 E N -0.021 120.162 120.200 -0.027 0.000 2.347 81 E HA -0.101 4.247 4.350 -0.004 0.000 0.196 81 E C 1.826 178.460 176.600 0.057 0.000 1.008 81 E CA 0.558 56.990 56.400 0.054 0.000 0.852 81 E CB 0.110 29.921 29.700 0.186 0.000 0.783 81 E HN 0.383 nan 8.360 nan 0.000 0.505 82 I N 0.818 121.336 120.570 -0.086 0.000 2.333 82 I HA -0.188 3.980 4.170 -0.004 0.000 0.246 82 I C 2.246 178.342 176.117 -0.035 0.000 1.106 82 I CA 0.772 62.030 61.300 -0.069 0.000 1.411 82 I CB -0.077 37.796 38.000 -0.212 0.000 1.082 82 I HN 0.074 nan 8.210 nan 0.000 0.420 83 E N 0.811 120.977 120.200 -0.057 0.000 2.065 83 E HA -0.316 4.032 4.350 -0.004 0.000 0.201 83 E C 1.852 178.437 176.600 -0.026 0.000 1.016 83 E CA 1.559 57.931 56.400 -0.046 0.000 0.818 83 E CB -0.132 29.535 29.700 -0.054 0.000 0.749 83 E HN 0.561 nan 8.360 nan 0.000 0.453 84 Q N -0.905 118.888 119.800 -0.011 0.000 2.466 84 Q HA 0.064 4.402 4.340 -0.004 0.000 0.210 84 Q C 1.002 177.011 176.000 0.015 0.000 0.961 84 Q CA 0.389 56.192 55.803 -0.001 0.000 0.953 84 Q CB 0.567 29.308 28.738 0.005 0.000 1.011 84 Q HN 0.447 nan 8.270 nan 0.000 0.516 85 G N 2.476 111.291 108.800 0.026 0.000 2.180 85 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.263 85 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.263 85 G C 0.350 175.285 174.900 0.059 0.000 0.989 85 G CA 0.753 45.877 45.100 0.040 0.000 0.692 85 G HN 0.528 nan 8.290 nan 0.000 0.526 86 R N -1.336 119.210 120.500 0.076 0.000 3.135 86 R HA 0.611 4.949 4.340 -0.004 0.000 0.343 86 R C -0.356 176.023 176.300 0.132 0.000 1.227 86 R CA -0.947 55.197 56.100 0.073 0.000 1.227 86 R CB 0.141 30.468 30.300 0.045 0.000 1.436 86 R HN 0.241 nan 8.270 nan 0.000 0.595 87 F N 1.639 121.579 119.950 -0.017 0.000 2.361 87 F HA 0.230 4.755 4.527 -0.004 0.000 0.364 87 F C 1.159 176.945 175.800 -0.023 0.000 1.117 87 F CA -1.507 56.481 58.000 -0.018 0.000 1.071 87 F CB 1.367 40.355 39.000 -0.019 0.000 1.188 87 F HN -0.052 nan 8.300 nan 0.000 0.464 88 V N 3.507 123.052 119.914 -0.616 0.000 2.613 88 V HA -0.292 3.826 4.120 -0.004 0.000 0.259 88 V C 1.055 176.825 176.094 -0.540 0.000 1.099 88 V CA 2.161 64.165 62.300 -0.493 0.000 1.115 88 V CB -0.606 30.987 31.823 -0.383 0.000 0.686 88 V HN 0.693 nan 8.190 nan 0.000 0.481 89 D N -0.752 119.100 120.400 -0.913 0.000 2.431 89 D HA 0.244 4.882 4.640 -0.004 0.000 0.213 89 D C 0.193 176.439 176.300 -0.090 0.000 1.130 89 D CA -0.085 53.663 54.000 -0.421 0.000 0.834 89 D CB 1.100 41.708 40.800 -0.319 0.000 0.985 89 D HN 0.419 nan 8.370 nan 0.000 0.504 90 L N 1.634 122.891 121.223 0.056 0.000 2.313 90 L HA 0.399 4.737 4.340 -0.004 0.000 0.273 90 L C -0.749 176.113 176.870 -0.014 0.000 1.028 90 L CA -0.429 54.462 54.840 0.086 0.000 0.871 90 L CB 0.346 42.542 42.059 0.228 0.000 1.242 90 L HN -0.150 nan 8.230 nan 0.000 0.434 91 I N 3.552 124.049 120.570 -0.121 0.000 2.256 91 I HA 0.266 4.434 4.170 -0.004 0.000 0.294 91 I C 0.267 176.405 176.117 0.035 0.000 1.127 91 I CA -0.240 61.014 61.300 -0.076 0.000 1.247 91 I CB 0.361 38.251 38.000 -0.184 0.000 1.460 91 I HN 0.632 nan 8.210 nan 0.000 0.511 92 E N 6.724 126.952 120.200 0.046 0.000 2.070 92 E HA 0.333 4.681 4.350 -0.004 0.000 0.282 92 E C -0.634 176.010 176.600 0.073 0.000 1.104 92 E CA -0.425 56.015 56.400 0.066 0.000 0.876 92 E CB 0.693 30.421 29.700 0.047 0.000 1.055 92 E HN 0.545 nan 8.360 nan 0.000 0.401 93 I N 3.989 124.618 120.570 0.098 0.000 2.312 93 I HA 0.060 4.228 4.170 -0.004 0.000 0.290 93 I C 0.140 176.283 176.117 0.043 0.000 1.008 93 I CA -0.614 60.732 61.300 0.077 0.000 1.226 93 I CB 1.069 39.130 38.000 0.102 0.000 1.371 93 I HN 0.435 nan 8.210 nan 0.000 0.468 94 D N 6.412 126.826 120.400 0.023 0.000 2.441 94 D HA 0.138 4.776 4.640 -0.004 0.000 0.243 94 D C 1.119 177.406 176.300 -0.022 0.000 1.257 94 D CA -0.017 53.985 54.000 0.003 0.000 1.027 94 D CB 1.104 41.906 40.800 0.003 0.000 1.084 94 D HN 0.657 nan 8.370 nan 0.000 0.514 95 A N 3.471 126.266 122.820 -0.041 0.000 2.125 95 A HA -0.014 4.304 4.320 -0.004 0.000 0.219 95 A C 2.022 179.540 177.584 -0.109 0.000 1.156 95 A CA 1.363 53.350 52.037 -0.084 0.000 0.671 95 A CB -0.168 18.763 19.000 -0.114 0.000 0.794 95 A HN 0.578 nan 8.150 nan 0.000 0.459 96 A N -0.753 122.010 122.820 -0.095 0.000 2.169 96 A HA 0.182 4.500 4.320 -0.004 0.000 0.212 96 A C 1.976 179.532 177.584 -0.046 0.000 1.153 96 A CA 1.448 53.434 52.037 -0.085 0.000 0.756 96 A CB -0.190 18.771 19.000 -0.065 0.000 0.813 96 A HN 0.493 nan 8.150 nan 0.000 0.471 97 S N -1.032 114.646 115.700 -0.037 0.000 2.554 97 S HA 0.177 4.645 4.470 -0.004 0.000 0.227 97 S C 0.843 175.426 174.600 -0.027 0.000 1.050 97 S CA -0.388 57.798 58.200 -0.024 0.000 0.927 97 S CB 0.262 63.456 63.200 -0.012 0.000 0.859 97 S HN 0.392 nan 8.310 nan 0.000 0.494 98 R N 3.118 123.596 120.500 -0.036 0.000 4.048 98 R HA 0.270 4.608 4.340 -0.004 0.000 0.290 98 R C 0.881 177.140 176.300 -0.068 0.000 1.519 98 R CA 0.239 56.315 56.100 -0.040 0.000 1.446 98 R CB -0.701 29.582 30.300 -0.029 0.000 1.455 98 R HN 0.566 nan 8.270 nan 0.000 0.706 99 T N -2.612 111.901 114.554 -0.068 0.000 3.009 99 T HA 0.090 4.438 4.350 -0.004 0.000 0.258 99 T C 0.919 175.569 174.700 -0.083 0.000 1.063 99 T CA 0.315 62.360 62.100 -0.092 0.000 1.139 99 T CB 0.532 69.361 68.868 -0.066 0.000 0.890 99 T HN 0.098 nan 8.240 nan 0.000 0.471 100 K N 0.973 121.341 120.400 -0.054 0.000 2.187 100 K HA 0.264 4.581 4.320 -0.004 0.000 0.247 100 K C 1.432 178.003 176.600 -0.048 0.000 1.019 100 K CA -0.206 56.056 56.287 -0.041 0.000 0.893 100 K CB 0.803 33.283 32.500 -0.034 0.000 1.025 100 K HN -0.094 nan 8.250 nan 0.000 0.500 101 V N 1.404 121.294 119.914 -0.039 0.000 2.307 101 V HA -0.196 3.922 4.120 -0.004 0.000 0.245 101 V C 2.117 178.184 176.094 -0.044 0.000 1.045 101 V CA 1.614 63.893 62.300 -0.036 0.000 1.024 101 V CB -0.460 31.339 31.823 -0.041 0.000 0.651 101 V HN 0.648 nan 8.190 nan 0.000 0.449 102 E N 0.302 120.475 120.200 -0.046 0.000 2.097 102 E HA -0.242 4.106 4.350 -0.004 0.000 0.196 102 E C 2.002 178.580 176.600 -0.036 0.000 1.000 102 E CA 1.511 57.887 56.400 -0.040 0.000 0.804 102 E CB -0.592 29.086 29.700 -0.036 0.000 0.740 102 E HN 0.579 nan 8.360 nan 0.000 0.454 103 D N -0.021 120.357 120.400 -0.037 0.000 2.149 103 D HA -0.102 4.536 4.640 -0.004 0.000 0.198 103 D C 1.800 178.074 176.300 -0.043 0.000 0.990 103 D CA 1.426 55.405 54.000 -0.035 0.000 0.839 103 D CB -0.204 40.574 40.800 -0.036 0.000 0.948 103 D HN 0.197 nan 8.370 nan 0.000 0.460 104 T N 0.482 115.001 114.554 -0.058 0.000 2.851 104 T HA -0.025 4.323 4.350 -0.004 0.000 0.262 104 T C 2.001 176.660 174.700 -0.068 0.000 1.043 104 T CA 0.485 62.540 62.100 -0.075 0.000 1.140 104 T CB 0.090 68.900 68.868 -0.097 0.000 0.872 104 T HN 0.122 nan 8.240 nan 0.000 0.446 105 R N 1.192 121.660 120.500 -0.053 0.000 2.105 105 R HA -0.111 4.227 4.340 -0.004 0.000 0.239 105 R C 2.105 178.375 176.300 -0.050 0.000 1.135 105 R CA 1.590 57.662 56.100 -0.048 0.000 0.967 105 R CB -0.317 29.961 30.300 -0.036 0.000 0.861 105 R HN 0.341 nan 8.270 nan 0.000 0.442 106 D N 0.634 121.009 120.400 -0.041 0.000 2.117 106 D HA -0.130 4.507 4.640 -0.004 0.000 0.197 106 D C 1.967 178.242 176.300 -0.042 0.000 0.987 106 D CA 1.080 55.059 54.000 -0.035 0.000 0.829 106 D CB -0.188 40.601 40.800 -0.018 0.000 0.961 106 D HN 0.197 nan 8.370 nan 0.000 0.460 107 L N 0.114 121.309 121.223 -0.045 0.000 2.046 107 L HA -0.127 4.211 4.340 -0.004 0.000 0.208 107 L C 2.584 179.376 176.870 -0.130 0.000 1.077 107 L CA 0.646 55.448 54.840 -0.063 0.000 0.747 107 L CB -0.508 41.511 42.059 -0.066 0.000 0.896 107 L HN 0.039 nan 8.230 nan 0.000 0.432 108 L N -0.232 120.923 121.223 -0.113 0.000 1.955 108 L HA -0.255 4.083 4.340 -0.004 0.000 0.213 108 L C 2.485 179.292 176.870 -0.105 0.000 1.072 108 L CA 1.422 56.200 54.840 -0.104 0.000 0.755 108 L CB -0.725 41.287 42.059 -0.077 0.000 0.888 108 L HN 0.310 nan 8.230 nan 0.000 0.432 109 D N 0.213 120.551 120.400 -0.102 0.000 2.160 109 D HA -0.221 4.417 4.640 -0.004 0.000 0.189 109 D C 1.537 177.672 176.300 -0.276 0.000 1.003 109 D CA 1.435 55.350 54.000 -0.141 0.000 0.846 109 D CB -0.613 40.125 40.800 -0.103 0.000 0.949 109 D HN 0.241 nan 8.370 nan 0.000 0.446 110 N N 0.311 118.863 118.700 -0.246 0.000 2.535 110 N HA -0.037 4.701 4.740 -0.004 0.000 0.203 110 N C 1.273 176.694 175.510 -0.149 0.000 1.301 110 N CA -0.008 52.847 53.050 -0.324 0.000 0.859 110 N CB 0.323 38.753 38.487 -0.095 0.000 1.055 110 N HN 0.090 nan 8.380 nan 0.000 0.457 111 V N 0.771 120.615 119.914 -0.117 0.000 2.426 111 V HA -0.193 3.925 4.120 -0.004 0.000 0.242 111 V C 2.339 178.499 176.094 0.110 0.000 1.036 111 V CA 1.110 63.436 62.300 0.043 0.000 1.044 111 V CB -0.271 31.546 31.823 -0.009 0.000 0.688 111 V HN 0.382 nan 8.190 nan 0.000 0.462 112 Q N -0.211 119.625 119.800 0.059 0.000 2.133 112 Q HA -0.222 4.115 4.340 -0.004 0.000 0.208 112 Q C 0.400 176.654 176.000 0.423 0.000 0.991 112 Q CA 1.540 57.473 55.803 0.218 0.000 0.867 112 Q CB -0.799 28.034 28.738 0.159 0.000 0.911 112 Q HN 0.525 nan 8.270 nan 0.000 0.417 113 Y N 1.575 121.981 120.300 0.176 0.000 2.712 113 Y HA 0.239 4.787 4.550 -0.003 0.000 0.333 113 Y C 0.840 176.873 175.900 0.221 0.000 1.225 113 Y CA -0.838 57.346 58.100 0.139 0.000 1.499 113 Y CB -0.379 38.138 38.460 0.095 0.000 1.288 113 Y HN 0.224 nan 8.280 nan 0.000 0.575 114 A N 6.277 129.249 122.820 0.254 0.000 2.366 114 A HA 0.447 4.765 4.320 -0.004 0.000 0.249 114 A C -1.973 175.721 177.584 0.184 0.000 1.084 114 A CA -1.376 50.773 52.037 0.187 0.000 0.794 114 A CB -0.585 18.401 19.000 -0.024 0.000 1.034 114 A HN 0.525 nan 8.150 nan 0.000 0.491 115 P HA 0.205 nan 4.420 nan 0.000 0.270 115 P C 0.633 177.937 177.300 0.007 0.000 1.227 115 P CA 0.549 63.688 63.100 0.064 0.000 0.788 115 P CB 0.704 32.438 31.700 0.058 0.000 0.926 116 A N 2.674 125.463 122.820 -0.052 0.000 1.849 116 A HA -0.013 4.305 4.320 -0.004 0.000 0.214 116 A C 1.821 179.371 177.584 -0.057 0.000 1.269 116 A CA 0.968 52.965 52.037 -0.067 0.000 0.605 116 A CB -0.381 18.551 19.000 -0.113 0.000 0.937 116 A HN 0.462 nan 8.150 nan 0.000 0.461 117 R N -0.668 119.779 120.500 -0.089 0.000 2.437 117 R HA 0.219 4.557 4.340 -0.004 0.000 0.257 117 R C 0.303 176.665 176.300 0.103 0.000 0.927 117 R CA 0.532 56.627 56.100 -0.008 0.000 1.078 117 R CB 0.870 31.166 30.300 -0.006 0.000 1.161 117 R HN 0.469 nan 8.270 nan 0.000 0.529 118 G N -0.494 108.364 108.800 0.097 0.000 2.537 118 G HA2 0.273 4.231 3.960 -0.004 0.000 0.308 118 G HA3 0.273 4.231 3.960 -0.004 0.000 0.308 118 G C 0.263 175.205 174.900 0.071 0.000 1.237 118 G CA -0.611 44.614 45.100 0.208 0.000 0.968 118 G HN -0.034 nan 8.290 nan 0.000 0.481 119 R N -0.999 119.521 120.500 0.033 0.000 2.152 119 R HA 0.033 4.371 4.340 -0.004 0.000 0.232 119 R C -0.317 175.678 176.300 -0.508 0.000 1.117 119 R CA 1.128 57.077 56.100 -0.252 0.000 0.981 119 R CB -0.110 30.021 30.300 -0.282 0.000 0.870 119 R HN 0.419 nan 8.270 nan 0.000 0.451 120 F N -0.822 119.179 119.950 0.084 0.000 2.591 120 F HA 0.331 4.856 4.527 -0.003 0.000 0.309 120 F C -0.285 175.509 175.800 -0.010 0.000 1.098 120 F CA -1.110 56.919 58.000 0.049 0.000 0.937 120 F CB 1.562 40.581 39.000 0.031 0.000 1.250 120 F HN -0.430 nan 8.300 nan 0.000 0.447 121 K N 2.227 122.676 120.400 0.082 0.000 2.310 121 K HA 0.541 4.859 4.320 -0.004 0.000 0.290 121 K C -1.268 175.198 176.600 -0.223 0.000 1.077 121 K CA -0.212 55.986 56.287 -0.147 0.000 0.922 121 K CB 0.685 33.042 32.500 -0.238 0.000 1.057 121 K HN 0.463 nan 8.250 nan 0.000 0.479 122 V N 6.067 125.848 119.914 -0.221 0.000 2.357 122 V HA 0.201 4.319 4.120 -0.004 0.000 0.284 122 V C -0.948 174.982 176.094 -0.273 0.000 1.018 122 V CA -0.858 61.332 62.300 -0.184 0.000 0.841 122 V CB 0.574 32.373 31.823 -0.039 0.000 0.991 122 V HN 0.573 nan 8.190 nan 0.000 0.437 123 Y N 5.366 125.588 120.300 -0.131 0.000 2.425 123 Y HA 0.492 5.040 4.550 -0.004 0.000 0.347 123 Y C 0.046 176.011 175.900 0.107 0.000 0.976 123 Y CA -0.675 57.421 58.100 -0.007 0.000 1.190 123 Y CB 1.183 39.657 38.460 0.023 0.000 1.136 123 Y HN 0.571 nan 8.280 nan 0.000 0.517 124 L N 5.791 127.139 121.223 0.208 0.000 2.262 124 L HA 0.545 4.883 4.340 -0.004 0.000 0.288 124 L C -1.025 175.960 176.870 0.191 0.000 1.035 124 L CA -0.516 54.443 54.840 0.198 0.000 0.820 124 L CB 0.077 42.210 42.059 0.124 0.000 1.204 124 L HN 0.504 nan 8.230 nan 0.000 0.424 125 I N 4.927 125.625 120.570 0.213 0.000 2.307 125 I HA 0.288 4.456 4.170 -0.004 0.000 0.287 125 I C -0.293 175.892 176.117 0.114 0.000 1.054 125 I CA -0.342 61.048 61.300 0.150 0.000 1.218 125 I CB 0.900 38.983 38.000 0.138 0.000 1.398 125 I HN 0.598 nan 8.210 nan 0.000 0.475 126 D N 5.833 126.280 120.400 0.078 0.000 2.277 126 D HA 0.161 4.799 4.640 -0.004 0.000 0.250 126 D C 0.205 176.515 176.300 0.017 0.000 1.032 126 D CA 0.112 54.153 54.000 0.067 0.000 0.947 126 D CB 1.062 41.894 40.800 0.055 0.000 1.159 126 D HN 0.327 nan 8.370 nan 0.000 0.460 127 E N 0.743 120.961 120.200 0.030 0.000 2.228 127 E HA -0.156 4.192 4.350 -0.004 0.000 0.213 127 E C 0.689 177.104 176.600 -0.309 0.000 1.282 127 E CA 0.217 56.564 56.400 -0.088 0.000 0.707 127 E CB -1.831 27.818 29.700 -0.084 0.000 1.150 127 E HN 0.246 nan 8.360 nan 0.000 0.362 128 V N 1.336 121.200 119.914 -0.082 0.000 3.510 128 V HA -0.135 3.982 4.120 -0.004 0.000 0.270 128 V C 2.000 178.104 176.094 0.016 0.000 1.201 128 V CA 1.643 63.917 62.300 -0.043 0.000 1.166 128 V CB -0.514 31.363 31.823 0.090 0.000 0.825 128 V HN 0.567 nan 8.190 nan 0.000 0.484 129 H N -2.282 116.875 119.070 0.145 0.000 2.539 129 H HA 0.170 4.724 4.556 -0.003 0.000 0.269 129 H C 1.537 176.985 175.328 0.200 0.000 0.980 129 H CA 0.038 56.230 56.048 0.240 0.000 1.152 129 H CB -0.005 29.850 29.762 0.155 0.000 1.407 129 H HN 0.383 nan 8.280 nan 0.000 0.564 130 M N 1.197 120.685 119.600 -0.186 0.000 2.465 130 M HA 0.197 4.674 4.480 -0.004 0.000 0.249 130 M C 0.746 176.997 176.300 -0.082 0.000 1.130 130 M CA -0.075 55.172 55.300 -0.089 0.000 1.067 130 M CB 0.077 32.567 32.600 -0.184 0.000 1.394 130 M HN 0.141 nan 8.290 nan 0.000 0.483 131 L N 2.053 123.119 121.223 -0.261 0.000 2.559 131 L HA -0.037 4.301 4.340 -0.004 0.000 0.282 131 L C 1.163 177.928 176.870 -0.175 0.000 1.232 131 L CA -0.220 54.360 54.840 -0.433 0.000 0.885 131 L CB -0.234 41.174 42.059 -1.086 0.000 1.131 131 L HN 0.302 nan 8.230 nan 0.000 0.498 132 S N 3.101 118.767 115.700 -0.056 0.000 2.580 132 S HA -0.007 4.461 4.470 -0.004 0.000 0.261 132 S C 1.135 175.870 174.600 0.227 0.000 1.366 132 S CA -0.305 57.954 58.200 0.098 0.000 0.996 132 S CB 0.785 64.043 63.200 0.096 0.000 0.902 132 S HN 0.730 nan 8.310 nan 0.000 0.566 133 R N -0.122 120.514 120.500 0.226 0.000 2.091 133 R HA -0.159 4.179 4.340 -0.004 0.000 0.238 133 R C 2.180 178.565 176.300 0.142 0.000 1.136 133 R CA 1.704 57.919 56.100 0.193 0.000 0.959 133 R CB -0.545 29.760 30.300 0.008 0.000 0.856 133 R HN 0.798 nan 8.270 nan 0.000 0.437 134 H N -0.452 118.673 119.070 0.091 0.000 2.353 134 H HA -0.070 4.484 4.556 -0.003 0.000 0.300 134 H C 2.097 177.440 175.328 0.025 0.000 1.090 134 H CA 1.980 58.056 56.048 0.047 0.000 1.327 134 H CB -0.003 29.771 29.762 0.019 0.000 1.383 134 H HN 0.346 nan 8.280 nan 0.000 0.508 135 S N -0.501 115.264 115.700 0.109 0.000 2.593 135 S HA 0.005 4.473 4.470 -0.004 0.000 0.217 135 S C 1.902 176.446 174.600 -0.093 0.000 0.966 135 S CA -0.131 58.054 58.200 -0.025 0.000 0.914 135 S CB -0.483 62.653 63.200 -0.107 0.000 0.776 135 S HN 0.162 nan 8.310 nan 0.000 0.523 136 F N 2.958 122.901 119.950 -0.012 0.000 2.118 136 F HA 0.103 4.628 4.527 -0.003 0.000 0.293 136 F C 2.551 178.321 175.800 -0.051 0.000 1.102 136 F CA 1.037 59.015 58.000 -0.037 0.000 1.247 136 F CB -0.228 38.752 39.000 -0.034 0.000 1.017 136 F HN 0.238 nan 8.300 nan 0.000 0.475 137 N N 0.471 119.271 118.700 0.166 0.000 2.309 137 N HA -0.119 4.619 4.740 -0.004 0.000 0.182 137 N C 1.945 177.475 175.510 0.034 0.000 1.018 137 N CA 0.879 53.969 53.050 0.068 0.000 0.876 137 N CB -0.319 38.183 38.487 0.025 0.000 0.972 137 N HN 0.221 nan 8.380 nan 0.000 0.434 138 A N 2.234 125.075 122.820 0.034 0.000 1.903 138 A HA -0.138 4.179 4.320 -0.004 0.000 0.219 138 A C 2.203 179.762 177.584 -0.042 0.000 1.191 138 A CA 1.153 53.190 52.037 -0.000 0.000 0.638 138 A CB -0.818 18.176 19.000 -0.009 0.000 0.823 138 A HN 0.213 nan 8.150 nan 0.000 0.451 139 L N -0.614 120.572 121.223 -0.061 0.000 2.465 139 L HA -0.078 4.260 4.340 -0.004 0.000 0.224 139 L C 2.359 179.160 176.870 -0.114 0.000 1.145 139 L CA 0.147 54.905 54.840 -0.136 0.000 0.834 139 L CB -0.449 41.507 42.059 -0.171 0.000 0.944 139 L HN 0.432 nan 8.230 nan 0.000 0.451 140 L N -0.013 121.183 121.223 -0.044 0.000 1.943 140 L HA -0.265 4.072 4.340 -0.004 0.000 0.215 140 L C 2.660 179.512 176.870 -0.030 0.000 1.074 140 L CA 1.739 56.564 54.840 -0.025 0.000 0.759 140 L CB -0.321 41.736 42.059 -0.004 0.000 0.888 140 L HN 0.228 nan 8.230 nan 0.000 0.433 141 K N -0.873 119.513 120.400 -0.023 0.000 2.057 141 K HA -0.131 4.187 4.320 -0.004 0.000 0.207 141 K C 1.876 178.463 176.600 -0.021 0.000 1.049 141 K CA 1.855 58.134 56.287 -0.014 0.000 0.931 141 K CB -0.269 32.227 32.500 -0.007 0.000 0.714 141 K HN 0.346 nan 8.250 nan 0.000 0.440 142 T N 1.674 116.204 114.554 -0.040 0.000 2.929 142 T HA -0.113 4.235 4.350 -0.004 0.000 0.271 142 T C 1.583 176.260 174.700 -0.037 0.000 1.085 142 T CA 0.790 62.872 62.100 -0.030 0.000 1.125 142 T CB -0.043 68.799 68.868 -0.043 0.000 0.874 142 T HN 0.044 nan 8.240 nan 0.000 0.494 143 L N 0.992 122.150 121.223 -0.109 0.000 2.249 143 L HA 0.256 4.594 4.340 -0.004 0.000 0.207 143 L C 2.365 179.294 176.870 0.098 0.000 1.090 143 L CA 1.438 56.225 54.840 -0.089 0.000 0.802 143 L CB -0.506 41.443 42.059 -0.183 0.000 0.947 143 L HN 0.198 nan 8.230 nan 0.000 0.453 144 E N 0.217 120.451 120.200 0.057 0.000 2.106 144 E HA -0.143 4.204 4.350 -0.004 0.000 0.192 144 E C -0.247 176.363 176.600 0.018 0.000 0.984 144 E CA 1.045 57.507 56.400 0.103 0.000 0.806 144 E CB 0.202 29.933 29.700 0.052 0.000 0.750 144 E HN 0.581 nan 8.360 nan 0.000 0.458 145 E N 0.890 121.048 120.200 -0.070 0.000 2.642 145 E HA 0.262 4.610 4.350 -0.004 0.000 0.284 145 E C -2.528 174.015 176.600 -0.095 0.000 1.039 145 E CA -1.671 54.649 56.400 -0.133 0.000 0.777 145 E CB 1.845 31.517 29.700 -0.047 0.000 1.473 145 E HN 0.139 nan 8.360 nan 0.000 0.388 146 P HA 0.418 nan 4.420 nan 0.000 0.297 146 P C -2.550 174.769 177.300 0.031 0.000 1.307 146 P CA -1.552 61.555 63.100 0.010 0.000 0.773 146 P CB 0.050 31.788 31.700 0.063 0.000 1.265 147 P HA 0.290 nan 4.420 nan 0.000 0.280 147 P C 0.611 178.066 177.300 0.259 0.000 1.272 147 P CA -0.379 62.848 63.100 0.212 0.000 0.819 147 P CB 0.724 32.674 31.700 0.418 0.000 1.122 148 E N 0.118 120.484 120.200 0.278 0.000 2.097 148 E HA -0.254 4.094 4.350 -0.004 0.000 0.196 148 E C 1.467 178.283 176.600 0.360 0.000 1.000 148 E CA 1.334 57.883 56.400 0.249 0.000 0.804 148 E CB -0.300 29.493 29.700 0.154 0.000 0.740 148 E HN 0.611 nan 8.360 nan 0.000 0.454 149 H N -0.731 118.416 119.070 0.128 0.000 2.547 149 H HA 0.143 4.697 4.556 -0.004 0.000 0.266 149 H C 0.416 175.915 175.328 0.285 0.000 0.988 149 H CA 0.097 56.230 56.048 0.142 0.000 1.147 149 H CB -0.660 29.117 29.762 0.026 0.000 1.365 149 H HN -0.124 nan 8.280 nan 0.000 0.589 150 V N 2.246 122.113 119.914 -0.079 0.000 2.532 150 V HA 0.338 4.456 4.120 -0.004 0.000 0.295 150 V C -0.010 176.075 176.094 -0.015 0.000 1.041 150 V CA -0.736 61.468 62.300 -0.161 0.000 0.926 150 V CB 1.824 33.499 31.823 -0.246 0.000 0.992 150 V HN 0.180 nan 8.190 nan 0.000 0.457 151 K N 3.432 123.757 120.400 -0.126 0.000 2.469 151 K HA 0.591 4.909 4.320 -0.004 0.000 0.254 151 K C -1.528 174.966 176.600 -0.177 0.000 0.939 151 K CA -0.434 55.826 56.287 -0.045 0.000 0.812 151 K CB 2.373 34.826 32.500 -0.078 0.000 1.301 151 K HN 0.417 nan 8.250 nan 0.000 0.433 152 F N 2.183 122.294 119.950 0.267 0.000 2.427 152 F HA 0.415 4.940 4.527 -0.003 0.000 0.348 152 F C 0.113 176.065 175.800 0.252 0.000 1.125 152 F CA -0.689 57.462 58.000 0.252 0.000 0.989 152 F CB 1.075 40.195 39.000 0.201 0.000 1.165 152 F HN 0.086 nan 8.300 nan 0.000 0.442 153 L N 5.702 127.168 121.223 0.404 0.000 2.264 153 L HA 0.421 4.759 4.340 -0.004 0.000 0.287 153 L C -0.851 176.227 176.870 0.346 0.000 1.039 153 L CA -0.700 54.368 54.840 0.379 0.000 0.829 153 L CB 0.608 42.858 42.059 0.317 0.000 1.211 153 L HN 0.374 nan 8.230 nan 0.000 0.427 154 L N 3.183 124.589 121.223 0.305 0.000 2.352 154 L HA 0.878 5.216 4.340 -0.004 0.000 0.269 154 L C 0.126 177.172 176.870 0.295 0.000 1.034 154 L CA -0.353 54.633 54.840 0.244 0.000 0.806 154 L CB 1.714 43.875 42.059 0.170 0.000 1.244 154 L HN 0.681 nan 8.230 nan 0.000 0.447 155 A N 0.272 123.240 122.820 0.247 0.000 2.565 155 A HA 0.719 5.037 4.320 -0.004 0.000 0.298 155 A C -0.813 176.900 177.584 0.216 0.000 1.062 155 A CA -0.369 51.831 52.037 0.271 0.000 0.723 155 A CB 1.706 20.863 19.000 0.261 0.000 1.282 155 A HN 0.569 nan 8.150 nan 0.000 0.400 156 T N 0.268 114.950 114.554 0.213 0.000 2.886 156 T HA 0.494 4.842 4.350 -0.004 0.000 0.330 156 T C 1.050 175.837 174.700 0.145 0.000 1.488 156 T CA 0.511 62.765 62.100 0.256 0.000 1.054 156 T CB 1.268 70.344 68.868 0.347 0.000 1.348 156 T HN 0.806 nan 8.240 nan 0.000 0.489 157 T N 1.995 116.607 114.554 0.095 0.000 2.588 157 T HA -0.002 4.346 4.350 -0.004 0.000 0.261 157 T C 0.451 175.130 174.700 -0.035 0.000 1.069 157 T CA 1.503 63.596 62.100 -0.012 0.000 1.172 157 T CB -0.296 68.522 68.868 -0.084 0.000 0.863 157 T HN 0.798 nan 8.240 nan 0.000 0.408 158 D N 1.695 122.022 120.400 -0.123 0.000 2.381 158 D HA 0.230 4.867 4.640 -0.004 0.000 0.235 158 D C -2.590 173.723 176.300 0.021 0.000 1.068 158 D CA -2.205 51.769 54.000 -0.043 0.000 0.832 158 D CB 2.011 42.772 40.800 -0.065 0.000 1.101 158 D HN 0.132 nan 8.370 nan 0.000 0.515 159 P HA -0.046 nan 4.420 nan 0.000 0.236 159 P C 1.334 178.651 177.300 0.028 0.000 1.177 159 P CA 0.627 63.772 63.100 0.075 0.000 0.773 159 P CB 0.481 32.236 31.700 0.091 0.000 0.878 160 Q N 0.340 120.150 119.800 0.018 0.000 2.133 160 Q HA -0.221 4.117 4.340 -0.004 0.000 0.208 160 Q C 1.884 177.867 176.000 -0.030 0.000 0.991 160 Q CA 1.702 57.499 55.803 -0.010 0.000 0.867 160 Q CB -0.476 28.256 28.738 -0.009 0.000 0.911 160 Q HN 0.196 nan 8.270 nan 0.000 0.417 161 K N 0.020 120.415 120.400 -0.008 0.000 2.366 161 K HA 0.055 4.373 4.320 -0.004 0.000 0.198 161 K C 0.073 176.585 176.600 -0.146 0.000 1.044 161 K CA 0.179 56.458 56.287 -0.013 0.000 0.973 161 K CB 0.220 32.774 32.500 0.091 0.000 0.767 161 K HN 0.080 nan 8.250 nan 0.000 0.475 162 L N 2.462 123.583 121.223 -0.170 0.000 2.367 162 L HA 0.227 4.565 4.340 -0.004 0.000 0.275 162 L C -2.129 174.485 176.870 -0.426 0.000 1.129 162 L CA -2.258 52.314 54.840 -0.446 0.000 0.839 162 L CB 0.269 42.237 42.059 -0.152 0.000 1.133 162 L HN -0.139 nan 8.230 nan 0.000 0.453 163 P HA -0.045 nan 4.420 nan 0.000 0.265 163 P C 0.943 178.117 177.300 -0.210 0.000 1.187 163 P CA -0.182 62.709 63.100 -0.349 0.000 0.766 163 P CB 0.655 32.138 31.700 -0.363 0.000 0.820 164 V N 2.157 121.986 119.914 -0.142 0.000 2.688 164 V HA -0.252 3.866 4.120 -0.004 0.000 0.256 164 V C 2.124 178.168 176.094 -0.083 0.000 1.084 164 V CA 2.535 64.775 62.300 -0.100 0.000 1.103 164 V CB -1.918 29.858 31.823 -0.078 0.000 0.688 164 V HN 0.683 nan 8.190 nan 0.000 0.480 165 T N -0.577 113.927 114.554 -0.083 0.000 2.746 165 T HA -0.153 4.195 4.350 -0.004 0.000 0.267 165 T C 1.870 176.541 174.700 -0.047 0.000 1.039 165 T CA 1.377 63.442 62.100 -0.057 0.000 1.142 165 T CB -0.344 68.493 68.868 -0.051 0.000 0.866 165 T HN 0.280 nan 8.240 nan 0.000 0.444 166 I N 1.326 121.859 120.570 -0.062 0.000 2.286 166 I HA -0.017 4.151 4.170 -0.004 0.000 0.248 166 I C 2.413 178.507 176.117 -0.039 0.000 1.115 166 I CA 0.936 62.219 61.300 -0.028 0.000 1.392 166 I CB -1.161 36.837 38.000 -0.004 0.000 1.065 166 I HN 0.286 nan 8.210 nan 0.000 0.418 167 L N 0.432 121.618 121.223 -0.062 0.000 2.109 167 L HA -0.148 4.190 4.340 -0.004 0.000 0.207 167 L C 2.562 179.388 176.870 -0.074 0.000 1.086 167 L CA 1.407 56.206 54.840 -0.068 0.000 0.760 167 L CB -0.453 41.562 42.059 -0.073 0.000 0.910 167 L HN 0.283 nan 8.230 nan 0.000 0.437 168 S N -0.403 115.262 115.700 -0.059 0.000 2.555 168 S HA -0.087 4.381 4.470 -0.004 0.000 0.230 168 S C 1.782 176.360 174.600 -0.036 0.000 0.978 168 S CA 0.424 58.593 58.200 -0.051 0.000 0.934 168 S CB -0.235 62.942 63.200 -0.037 0.000 0.766 168 S HN 0.392 nan 8.310 nan 0.000 0.533 169 R N -0.432 120.049 120.500 -0.030 0.000 2.362 169 R HA 0.332 4.670 4.340 -0.004 0.000 0.227 169 R C -0.292 175.986 176.300 -0.037 0.000 0.905 169 R CA -0.010 56.099 56.100 0.016 0.000 1.067 169 R CB 0.221 30.549 30.300 0.048 0.000 1.078 169 R HN 0.420 nan 8.270 nan 0.000 0.516 170 C N 0.186 119.385 119.300 -0.170 0.000 2.848 170 C HA 0.482 4.940 4.460 -0.004 0.000 0.317 170 C C 0.137 174.808 174.990 -0.532 0.000 1.260 170 C CA -1.336 57.461 59.018 -0.367 0.000 1.656 170 C CB 1.366 28.968 27.740 -0.229 0.000 2.174 170 C HN 0.204 nan 8.230 nan 0.000 0.479 171 L N 2.076 122.824 121.223 -0.792 0.000 2.380 171 L HA 0.290 4.628 4.340 -0.004 0.000 0.273 171 L C 0.025 176.638 176.870 -0.428 0.000 1.138 171 L CA 0.446 54.915 54.840 -0.618 0.000 0.832 171 L CB 0.272 41.975 42.059 -0.595 0.000 1.124 171 L HN 0.747 nan 8.230 nan 0.000 0.454 172 Q N 3.756 123.291 119.800 -0.442 0.000 2.333 172 Q HA 0.503 4.840 4.340 -0.004 0.000 0.268 172 Q C -1.481 174.285 176.000 -0.389 0.000 1.007 172 Q CA -0.476 55.159 55.803 -0.281 0.000 0.810 172 Q CB 2.016 30.654 28.738 -0.166 0.000 1.264 172 Q HN 0.346 nan 8.270 nan 0.000 0.452 173 F N 1.226 121.123 119.950 -0.088 0.000 2.427 173 F HA 0.220 4.746 4.527 -0.003 0.000 0.348 173 F C -0.111 175.807 175.800 0.197 0.000 1.125 173 F CA -0.767 57.285 58.000 0.086 0.000 0.989 173 F CB 1.231 40.298 39.000 0.110 0.000 1.165 173 F HN 0.621 nan 8.300 nan 0.000 0.442 174 H N 4.602 123.852 119.070 0.301 0.000 2.741 174 H HA 0.406 4.960 4.556 -0.003 0.000 0.282 174 H C -0.468 175.088 175.328 0.379 0.000 1.122 174 H CA -0.404 55.800 56.048 0.260 0.000 1.293 174 H CB 0.455 30.291 29.762 0.124 0.000 1.415 174 H HN 0.453 nan 8.280 nan 0.000 0.472 175 L N 4.684 125.996 121.223 0.148 0.000 2.455 175 L HA 0.135 4.473 4.340 -0.004 0.000 0.272 175 L C 0.448 177.434 176.870 0.193 0.000 1.174 175 L CA 0.209 55.157 54.840 0.181 0.000 0.869 175 L CB 0.409 42.489 42.059 0.035 0.000 1.130 175 L HN 0.575 nan 8.230 nan 0.000 0.474 176 K N 2.023 122.600 120.400 0.294 0.000 2.144 176 K HA 0.527 4.844 4.320 -0.004 0.000 0.270 176 K C 0.143 176.816 176.600 0.122 0.000 1.005 176 K CA -0.592 55.822 56.287 0.212 0.000 0.932 176 K CB 1.519 34.127 32.500 0.180 0.000 1.021 176 K HN 0.725 nan 8.250 nan 0.000 0.462 177 A N 2.701 125.577 122.820 0.094 0.000 2.409 177 A HA 0.206 4.524 4.320 -0.004 0.000 0.246 177 A C -0.097 177.516 177.584 0.047 0.000 1.099 177 A CA -0.201 51.870 52.037 0.057 0.000 0.789 177 A CB 0.050 19.080 19.000 0.051 0.000 1.053 177 A HN 0.629 nan 8.150 nan 0.000 0.503 178 L N 0.728 121.969 121.223 0.030 0.000 2.357 178 L HA 0.290 4.628 4.340 -0.004 0.000 0.273 178 L C -0.379 176.503 176.870 0.020 0.000 1.080 178 L CA -0.794 54.060 54.840 0.023 0.000 0.803 178 L CB 0.966 43.031 42.059 0.010 0.000 1.174 178 L HN 0.647 nan 8.230 nan 0.000 0.443 179 D N 0.606 121.017 120.400 0.019 0.000 2.400 179 D HA 0.012 4.649 4.640 -0.004 0.000 0.238 179 D C 1.103 177.412 176.300 0.015 0.000 1.157 179 D CA -0.252 53.758 54.000 0.017 0.000 0.889 179 D CB 1.102 41.911 40.800 0.015 0.000 1.199 179 D HN 0.167 nan 8.370 nan 0.000 0.436 180 V N 0.954 120.877 119.914 0.015 0.000 2.392 180 V HA -0.251 3.867 4.120 -0.004 0.000 0.249 180 V C 2.203 178.306 176.094 0.016 0.000 1.059 180 V CA 1.934 64.242 62.300 0.013 0.000 1.051 180 V CB -0.515 31.316 31.823 0.013 0.000 0.658 180 V HN 0.575 nan 8.190 nan 0.000 0.455 181 E N 0.608 120.820 120.200 0.021 0.000 2.023 181 E HA -0.268 4.080 4.350 -0.004 0.000 0.196 181 E C 2.202 178.828 176.600 0.044 0.000 1.003 181 E CA 1.986 58.406 56.400 0.034 0.000 0.809 181 E CB -0.437 29.282 29.700 0.032 0.000 0.755 181 E HN 0.658 nan 8.360 nan 0.000 0.449 182 Q N -0.012 119.802 119.800 0.023 0.000 2.029 182 Q HA -0.194 4.144 4.340 -0.004 0.000 0.209 182 Q C 2.423 178.437 176.000 0.022 0.000 0.999 182 Q CA 2.267 58.078 55.803 0.013 0.000 0.857 182 Q CB -0.387 28.348 28.738 -0.006 0.000 0.926 182 Q HN 0.408 nan 8.270 nan 0.000 0.415 183 I N 0.271 120.846 120.570 0.008 0.000 2.113 183 I HA -0.387 3.781 4.170 -0.004 0.000 0.242 183 I C 2.625 178.737 176.117 -0.010 0.000 1.064 183 I CA 1.574 62.870 61.300 -0.006 0.000 1.320 183 I CB -0.619 37.375 38.000 -0.009 0.000 1.028 183 I HN 0.302 nan 8.210 nan 0.000 0.406 184 R N 0.008 120.509 120.500 0.002 0.000 2.082 184 R HA -0.245 4.093 4.340 -0.004 0.000 0.234 184 R C 2.647 178.937 176.300 -0.017 0.000 1.136 184 R CA 1.858 57.947 56.100 -0.018 0.000 0.935 184 R CB -0.558 29.739 30.300 -0.005 0.000 0.842 184 R HN 0.421 nan 8.270 nan 0.000 0.430 185 H N 0.186 119.224 119.070 -0.054 0.000 2.357 185 H HA -0.205 4.348 4.556 -0.004 0.000 0.296 185 H C 2.037 177.326 175.328 -0.066 0.000 1.108 185 H CA 2.376 58.394 56.048 -0.051 0.000 1.273 185 H CB 0.147 29.884 29.762 -0.041 0.000 1.367 185 H HN 0.277 nan 8.280 nan 0.000 0.498 186 Q N 0.545 120.393 119.800 0.081 0.000 2.046 186 Q HA -0.064 4.274 4.340 -0.004 0.000 0.200 186 Q C 2.774 178.702 176.000 -0.121 0.000 0.975 186 Q CA 1.281 57.076 55.803 -0.013 0.000 0.836 186 Q CB -0.394 28.318 28.738 -0.042 0.000 0.896 186 Q HN 0.471 nan 8.270 nan 0.000 0.428 187 L N 0.241 121.380 121.223 -0.140 0.000 2.079 187 L HA -0.224 4.114 4.340 -0.004 0.000 0.210 187 L C 2.458 179.151 176.870 -0.296 0.000 1.081 187 L CA 1.792 56.506 54.840 -0.210 0.000 0.752 187 L CB -0.482 41.478 42.059 -0.164 0.000 0.896 187 L HN 0.448 nan 8.230 nan 0.000 0.433 188 E N -0.574 119.458 120.200 -0.279 0.000 2.007 188 E HA -0.281 4.067 4.350 -0.004 0.000 0.194 188 E C 2.245 178.678 176.600 -0.278 0.000 0.999 188 E CA 1.192 57.376 56.400 -0.360 0.000 0.811 188 E CB -0.158 29.364 29.700 -0.296 0.000 0.762 188 E HN 0.393 nan 8.360 nan 0.000 0.450 189 H N 0.606 119.510 119.070 -0.276 0.000 2.292 189 H HA -0.212 4.342 4.556 -0.004 0.000 0.292 189 H C 2.240 177.354 175.328 -0.357 0.000 1.100 189 H CA 2.293 58.202 56.048 -0.231 0.000 1.238 189 H CB -0.252 29.428 29.762 -0.137 0.000 1.355 189 H HN 0.250 nan 8.280 nan 0.000 0.484 190 I N 0.511 120.798 120.570 -0.472 0.000 2.179 190 I HA -0.305 3.863 4.170 -0.004 0.000 0.242 190 I C 2.837 178.636 176.117 -0.529 0.000 1.088 190 I CA 0.878 61.659 61.300 -0.865 0.000 1.357 190 I CB -0.260 37.101 38.000 -1.065 0.000 1.051 190 I HN 0.231 nan 8.210 nan 0.000 0.409 191 L N 0.350 121.336 121.223 -0.395 0.000 2.083 191 L HA -0.219 4.119 4.340 -0.004 0.000 0.209 191 L C 2.295 179.050 176.870 -0.191 0.000 1.083 191 L CA 1.138 55.824 54.840 -0.258 0.000 0.752 191 L CB -0.762 41.121 42.059 -0.293 0.000 0.899 191 L HN 0.330 nan 8.230 nan 0.000 0.433 192 N N -0.079 118.474 118.700 -0.245 0.000 2.028 192 N HA -0.184 4.553 4.740 -0.004 0.000 0.194 192 N C 1.791 177.062 175.510 -0.398 0.000 1.050 192 N CA 1.148 54.054 53.050 -0.240 0.000 0.848 192 N CB -0.309 38.040 38.487 -0.231 0.000 1.038 192 N HN 0.175 nan 8.380 nan 0.000 0.423 193 E N 1.177 121.135 120.200 -0.403 0.000 2.070 193 E HA -0.159 4.189 4.350 -0.004 0.000 0.197 193 E C 1.235 177.744 176.600 -0.151 0.000 1.004 193 E CA 0.914 57.145 56.400 -0.282 0.000 0.805 193 E CB -0.264 29.390 29.700 -0.078 0.000 0.744 193 E HN 0.459 nan 8.360 nan 0.000 0.451 194 E N 0.575 120.756 120.200 -0.032 0.000 2.526 194 E HA -0.074 4.274 4.350 -0.004 0.000 0.198 194 E C -0.507 176.170 176.600 0.128 0.000 1.091 194 E CA 0.021 56.490 56.400 0.114 0.000 0.880 194 E CB -0.325 29.451 29.700 0.128 0.000 0.873 194 E HN 0.363 nan 8.360 nan 0.000 0.527 195 H N -0.168 118.917 119.070 0.025 0.000 2.686 195 H HA -0.189 4.365 4.556 -0.004 0.000 0.294 195 H C -0.104 175.241 175.328 0.028 0.000 0.852 195 H CA 0.738 56.800 56.048 0.023 0.000 0.949 195 H CB -1.339 28.436 29.762 0.021 0.000 1.575 195 H HN 0.211 nan 8.280 nan 0.000 0.310 196 I N 1.087 121.720 120.570 0.104 0.000 2.627 196 I HA 0.284 4.452 4.170 -0.004 0.000 0.288 196 I C 0.449 176.635 176.117 0.115 0.000 1.202 196 I CA -0.645 60.709 61.300 0.090 0.000 1.050 196 I CB 1.922 39.955 38.000 0.056 0.000 1.264 196 I HN 0.571 nan 8.210 nan 0.000 0.429 197 A N 5.271 128.132 122.820 0.069 0.000 2.531 197 A HA 0.371 4.689 4.320 -0.004 0.000 0.236 197 A C -0.441 177.192 177.584 0.081 0.000 1.062 197 A CA 0.700 52.751 52.037 0.023 0.000 0.760 197 A CB -0.329 18.669 19.000 -0.004 0.000 0.995 197 A HN 0.902 nan 8.150 nan 0.000 0.501 198 H N -0.775 118.277 119.070 -0.029 0.000 3.029 198 H HA 0.604 5.158 4.556 -0.004 0.000 0.358 198 H C -1.117 174.192 175.328 -0.033 0.000 1.129 198 H CA -0.724 55.303 56.048 -0.035 0.000 1.230 198 H CB 0.511 30.243 29.762 -0.049 0.000 1.827 198 H HN 0.570 nan 8.280 nan 0.000 0.530 199 E N 4.756 124.975 120.200 0.032 0.000 2.316 199 E HA 0.078 4.426 4.350 -0.004 0.000 0.275 199 E C -1.425 175.226 176.600 0.084 0.000 1.029 199 E CA -1.943 54.459 56.400 0.003 0.000 0.871 199 E CB 1.122 30.825 29.700 0.005 0.000 1.022 199 E HN 0.572 nan 8.360 nan 0.000 0.418 200 P HA -0.291 nan 4.420 nan 0.000 0.217 200 P C 1.211 178.544 177.300 0.054 0.000 1.162 200 P CA 1.518 64.665 63.100 0.078 0.000 0.901 200 P CB 0.185 31.899 31.700 0.024 0.000 0.793 201 R N 0.036 120.553 120.500 0.028 0.000 2.189 201 R HA 0.004 4.342 4.340 -0.004 0.000 0.223 201 R C 2.224 178.533 176.300 0.016 0.000 1.092 201 R CA 1.139 57.249 56.100 0.017 0.000 0.989 201 R CB -0.616 29.689 30.300 0.009 0.000 0.876 201 R HN 0.085 nan 8.270 nan 0.000 0.457 202 A N 0.719 123.554 122.820 0.025 0.000 2.067 202 A HA -0.040 4.278 4.320 -0.004 0.000 0.219 202 A C 1.989 179.575 177.584 0.003 0.000 1.158 202 A CA 0.778 52.825 52.037 0.016 0.000 0.661 202 A CB -0.204 18.812 19.000 0.026 0.000 0.801 202 A HN 0.315 nan 8.150 nan 0.000 0.452 203 L N -1.637 119.587 121.223 0.002 0.000 2.102 203 L HA -0.131 4.207 4.340 -0.004 0.000 0.202 203 L C 2.732 179.589 176.870 -0.021 0.000 1.076 203 L CA 1.183 56.004 54.840 -0.033 0.000 0.761 203 L CB -0.809 41.209 42.059 -0.068 0.000 0.921 203 L HN 0.415 nan 8.230 nan 0.000 0.444 204 Q N 0.233 120.029 119.800 -0.007 0.000 2.217 204 Q HA -0.238 4.100 4.340 -0.004 0.000 0.209 204 Q C 2.352 178.351 176.000 -0.002 0.000 0.988 204 Q CA 1.541 57.343 55.803 -0.002 0.000 0.878 204 Q CB -0.059 28.682 28.738 0.004 0.000 0.909 204 Q HN 0.488 nan 8.270 nan 0.000 0.424 205 L N -0.387 120.834 121.223 -0.002 0.000 2.131 205 L HA -0.152 4.186 4.340 -0.004 0.000 0.206 205 L C 2.068 178.935 176.870 -0.005 0.000 1.087 205 L CA 0.559 55.398 54.840 -0.001 0.000 0.767 205 L CB -0.055 42.004 42.059 -0.001 0.000 0.917 205 L HN 0.279 nan 8.230 nan 0.000 0.441 206 L N -0.744 120.472 121.223 -0.012 0.000 2.005 206 L HA -0.157 4.181 4.340 -0.004 0.000 0.207 206 L C 2.781 179.642 176.870 -0.014 0.000 1.072 206 L CA 1.217 56.047 54.840 -0.016 0.000 0.744 206 L CB -0.657 41.386 42.059 -0.028 0.000 0.895 206 L HN 0.206 nan 8.230 nan 0.000 0.433 207 A N -0.233 122.577 122.820 -0.017 0.000 2.024 207 A HA -0.196 4.121 4.320 -0.004 0.000 0.220 207 A C 2.374 179.957 177.584 -0.002 0.000 1.164 207 A CA 1.395 53.425 52.037 -0.012 0.000 0.643 207 A CB -0.457 18.536 19.000 -0.012 0.000 0.806 207 A HN 0.324 nan 8.150 nan 0.000 0.451 208 R N -0.780 119.720 120.500 0.001 0.000 2.062 208 R HA -0.014 4.324 4.340 -0.004 0.000 0.229 208 R C 2.423 178.728 176.300 0.007 0.000 1.128 208 R CA 1.188 57.292 56.100 0.007 0.000 0.960 208 R CB -0.521 29.785 30.300 0.010 0.000 0.855 208 R HN 0.487 nan 8.270 nan 0.000 0.432 209 A N 1.255 124.077 122.820 0.004 0.000 2.121 209 A HA -0.005 4.313 4.320 -0.004 0.000 0.218 209 A C 2.254 179.840 177.584 0.003 0.000 1.154 209 A CA 1.339 53.378 52.037 0.004 0.000 0.679 209 A CB -0.329 18.672 19.000 0.001 0.000 0.795 209 A HN 0.371 nan 8.150 nan 0.000 0.458 210 A N -0.487 122.333 122.820 0.001 0.000 2.015 210 A HA 0.007 4.325 4.320 -0.004 0.000 0.219 210 A C 0.843 178.430 177.584 0.005 0.000 1.163 210 A CA 1.018 53.055 52.037 0.000 0.000 0.646 210 A CB -0.453 18.544 19.000 -0.004 0.000 0.806 210 A HN 0.620 nan 8.150 nan 0.000 0.448 211 E N -2.377 117.828 120.200 0.009 0.000 2.222 211 E HA -0.228 4.119 4.350 -0.004 0.000 0.189 211 E C 0.890 177.499 176.600 0.014 0.000 1.415 211 E CA 0.305 56.713 56.400 0.013 0.000 0.689 211 E CB -1.915 27.793 29.700 0.013 0.000 1.107 211 E HN 1.434 nan 8.360 nan 0.000 0.350 212 G N -0.037 108.772 108.800 0.014 0.000 2.268 212 G HA2 -0.373 3.585 3.960 -0.004 0.000 0.240 212 G HA3 -0.373 3.585 3.960 -0.004 0.000 0.240 212 G C 0.300 175.207 174.900 0.012 0.000 1.010 212 G CA 0.304 45.414 45.100 0.017 0.000 0.618 212 G HN 0.795 nan 8.290 nan 0.000 0.516 213 S N 0.676 116.381 115.700 0.008 0.000 2.420 213 S HA 0.560 5.028 4.470 -0.004 0.000 0.313 213 S C 1.329 175.928 174.600 -0.002 0.000 1.079 213 S CA -0.128 58.075 58.200 0.004 0.000 1.104 213 S CB 1.024 64.227 63.200 0.006 0.000 0.969 213 S HN 0.767 nan 8.310 nan 0.000 0.471 214 L N 6.036 127.255 121.223 -0.005 0.000 2.191 214 L HA 0.073 4.411 4.340 -0.004 0.000 0.212 214 L C 2.301 179.166 176.870 -0.008 0.000 1.103 214 L CA 1.650 56.483 54.840 -0.011 0.000 0.769 214 L CB -0.932 41.118 42.059 -0.015 0.000 0.908 214 L HN 0.812 nan 8.230 nan 0.000 0.438 215 R N -0.717 119.782 120.500 -0.001 0.000 2.055 215 R HA -0.137 4.201 4.340 -0.004 0.000 0.228 215 R C 1.878 178.180 176.300 0.003 0.000 1.143 215 R CA 1.482 57.585 56.100 0.005 0.000 0.945 215 R CB -0.254 30.051 30.300 0.009 0.000 0.841 215 R HN 0.236 nan 8.270 nan 0.000 0.429 216 D N 0.451 120.852 120.400 0.003 0.000 2.200 216 D HA -0.237 4.400 4.640 -0.004 0.000 0.192 216 D C 1.642 177.940 176.300 -0.004 0.000 1.008 216 D CA 1.934 55.935 54.000 0.002 0.000 0.872 216 D CB -0.250 40.552 40.800 0.003 0.000 0.923 216 D HN 0.446 nan 8.370 nan 0.000 0.447 217 A N 0.003 122.817 122.820 -0.010 0.000 1.873 217 A HA -0.097 4.221 4.320 -0.004 0.000 0.215 217 A C 2.379 179.947 177.584 -0.027 0.000 1.186 217 A CA 0.969 52.994 52.037 -0.020 0.000 0.616 217 A CB -0.757 18.227 19.000 -0.027 0.000 0.823 217 A HN 0.258 nan 8.150 nan 0.000 0.442 218 L N -0.381 120.828 121.223 -0.023 0.000 2.201 218 L HA -0.120 4.218 4.340 -0.004 0.000 0.212 218 L C 2.675 179.541 176.870 -0.005 0.000 1.105 218 L CA 1.193 56.019 54.840 -0.023 0.000 0.775 218 L CB -0.285 41.771 42.059 -0.006 0.000 0.913 218 L HN 0.305 nan 8.230 nan 0.000 0.440 219 S N -0.219 115.482 115.700 0.001 0.000 2.428 219 S HA -0.026 4.441 4.470 -0.004 0.000 0.230 219 S C 1.913 176.513 174.600 0.000 0.000 1.014 219 S CA 0.892 59.095 58.200 0.006 0.000 0.957 219 S CB -0.025 63.180 63.200 0.008 0.000 0.784 219 S HN 0.301 nan 8.310 nan 0.000 0.499 220 L N 0.680 121.899 121.223 -0.007 0.000 2.127 220 L HA -0.031 4.306 4.340 -0.004 0.000 0.203 220 L C 2.559 179.421 176.870 -0.013 0.000 1.080 220 L CA 0.995 55.829 54.840 -0.009 0.000 0.768 220 L CB -0.965 41.088 42.059 -0.011 0.000 0.924 220 L HN 0.262 nan 8.230 nan 0.000 0.444 221 T N -1.048 113.492 114.554 -0.023 0.000 2.746 221 T HA -0.199 4.149 4.350 -0.004 0.000 0.267 221 T C 1.456 176.145 174.700 -0.018 0.000 1.039 221 T CA 1.439 63.520 62.100 -0.032 0.000 1.142 221 T CB -0.253 68.581 68.868 -0.058 0.000 0.866 221 T HN 0.246 nan 8.240 nan 0.000 0.444 222 D N 1.402 121.797 120.400 -0.008 0.000 2.106 222 D HA -0.136 4.502 4.640 -0.004 0.000 0.191 222 D C 2.388 178.691 176.300 0.005 0.000 0.997 222 D CA 1.517 55.520 54.000 0.006 0.000 0.834 222 D CB -0.355 40.455 40.800 0.017 0.000 0.956 222 D HN 0.681 nan 8.370 nan 0.000 0.448 223 Q N 0.031 119.833 119.800 0.003 0.000 2.378 223 Q HA 0.098 4.436 4.340 -0.004 0.000 0.205 223 Q C 1.893 177.893 176.000 0.000 0.000 0.954 223 Q CA 1.259 57.064 55.803 0.003 0.000 0.901 223 Q CB 0.008 28.747 28.738 0.002 0.000 0.981 223 Q HN 0.125 nan 8.270 nan 0.000 0.483 224 A N 1.668 124.486 122.820 -0.003 0.000 1.877 224 A HA -0.113 4.204 4.320 -0.004 0.000 0.216 224 A C 2.101 179.685 177.584 -0.000 0.000 1.186 224 A CA 1.332 53.367 52.037 -0.004 0.000 0.620 224 A CB -0.677 18.318 19.000 -0.010 0.000 0.822 224 A HN 0.455 nan 8.150 nan 0.000 0.443 225 I N -0.270 120.301 120.570 0.001 0.000 2.335 225 I HA -0.308 3.860 4.170 -0.004 0.000 0.251 225 I C 2.827 178.950 176.117 0.009 0.000 1.129 225 I CA 1.104 62.408 61.300 0.007 0.000 1.402 225 I CB -0.189 37.817 38.000 0.010 0.000 1.069 225 I HN 0.388 nan 8.210 nan 0.000 0.424 226 A N -0.837 121.988 122.820 0.007 0.000 1.935 226 A HA -0.139 4.179 4.320 -0.004 0.000 0.214 226 A C 2.436 180.022 177.584 0.004 0.000 1.178 226 A CA 1.580 53.621 52.037 0.007 0.000 0.640 226 A CB -0.511 18.494 19.000 0.007 0.000 0.825 226 A HN 0.338 nan 8.150 nan 0.000 0.447 227 S N -0.495 115.206 115.700 0.002 0.000 2.406 227 S HA 0.009 4.476 4.470 -0.004 0.000 0.228 227 S C 1.791 176.391 174.600 -0.000 0.000 1.020 227 S CA 1.452 59.651 58.200 -0.001 0.000 0.965 227 S CB -0.373 62.825 63.200 -0.003 0.000 0.798 227 S HN 0.646 nan 8.310 nan 0.000 0.488 228 G N -0.245 108.556 108.800 0.002 0.000 2.985 228 G HA2 0.118 4.076 3.960 -0.004 0.000 0.209 228 G HA3 0.118 4.076 3.960 -0.004 0.000 0.209 228 G C -0.129 174.774 174.900 0.004 0.000 1.165 228 G CA 0.418 45.519 45.100 0.003 0.000 0.776 228 G HN 0.491 nan 8.290 nan 0.000 0.541 229 D N -0.960 119.443 120.400 0.005 0.000 3.026 229 D HA -0.084 4.554 4.640 -0.004 0.000 0.248 229 D C 1.511 177.817 176.300 0.010 0.000 1.100 229 D CA 1.439 55.443 54.000 0.006 0.000 0.855 229 D CB -1.350 39.452 40.800 0.004 0.000 1.011 229 D HN 0.971 nan 8.370 nan 0.000 0.423 230 G N 1.084 109.892 108.800 0.014 0.000 2.220 230 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.269 230 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.269 230 G C 0.318 175.232 174.900 0.023 0.000 0.977 230 G CA 0.887 45.999 45.100 0.020 0.000 0.634 230 G HN 0.606 nan 8.290 nan 0.000 0.539 231 Q N -0.434 119.377 119.800 0.019 0.000 2.312 231 Q HA 0.551 4.889 4.340 -0.004 0.000 0.263 231 Q C -0.352 175.662 176.000 0.024 0.000 0.995 231 Q CA -0.731 55.085 55.803 0.022 0.000 0.853 231 Q CB 2.540 31.285 28.738 0.012 0.000 1.300 231 Q HN 0.130 nan 8.270 nan 0.000 0.448 232 V N 3.092 123.030 119.914 0.040 0.000 2.222 232 V HA 0.117 4.235 4.120 -0.004 0.000 0.253 232 V C -0.006 176.111 176.094 0.038 0.000 1.210 232 V CA -0.244 62.077 62.300 0.035 0.000 1.079 232 V CB -0.202 31.645 31.823 0.039 0.000 1.265 232 V HN 0.715 nan 8.190 nan 0.000 0.494 233 S N 1.798 117.510 115.700 0.019 0.000 2.565 233 S HA 0.331 4.799 4.470 -0.004 0.000 0.290 233 S C 1.215 175.820 174.600 0.008 0.000 1.150 233 S CA -0.383 57.825 58.200 0.013 0.000 1.058 233 S CB 1.618 64.820 63.200 0.003 0.000 1.032 233 S HN 0.490 nan 8.310 nan 0.000 0.510 234 T N 2.102 116.660 114.554 0.006 0.000 2.699 234 T HA -0.162 4.186 4.350 -0.004 0.000 0.268 234 T C 1.878 176.577 174.700 -0.002 0.000 1.036 234 T CA 1.654 63.755 62.100 0.003 0.000 1.147 234 T CB -0.387 68.482 68.868 0.001 0.000 0.862 234 T HN 0.623 nan 8.240 nan 0.000 0.446 235 Q N 0.718 120.515 119.800 -0.004 0.000 2.135 235 Q HA -0.026 4.312 4.340 -0.004 0.000 0.204 235 Q C 2.700 178.695 176.000 -0.008 0.000 0.981 235 Q CA 1.571 57.370 55.803 -0.008 0.000 0.856 235 Q CB -0.601 28.132 28.738 -0.009 0.000 0.902 235 Q HN 0.621 nan 8.270 nan 0.000 0.425 236 A N 0.444 123.260 122.820 -0.005 0.000 1.872 236 A HA -0.075 4.243 4.320 -0.004 0.000 0.214 236 A C 2.453 180.033 177.584 -0.006 0.000 1.187 236 A CA 1.283 53.317 52.037 -0.005 0.000 0.614 236 A CB -0.536 18.463 19.000 -0.002 0.000 0.826 236 A HN 0.193 nan 8.150 nan 0.000 0.442 237 V N 1.050 120.962 119.914 -0.004 0.000 2.358 237 V HA -0.213 3.905 4.120 -0.004 0.000 0.246 237 V C 2.789 178.879 176.094 -0.007 0.000 1.047 237 V CA 2.324 64.621 62.300 -0.005 0.000 1.035 237 V CB -0.974 30.847 31.823 -0.004 0.000 0.658 237 V HN 0.695 nan 8.190 nan 0.000 0.452 238 S N 0.743 116.438 115.700 -0.008 0.000 2.436 238 S HA 0.038 4.506 4.470 -0.004 0.000 0.228 238 S C 2.069 176.660 174.600 -0.015 0.000 1.014 238 S CA 0.864 59.058 58.200 -0.010 0.000 0.950 238 S CB -0.358 62.837 63.200 -0.009 0.000 0.784 238 S HN 0.564 nan 8.310 nan 0.000 0.504 239 A N 3.734 126.545 122.820 -0.016 0.000 1.829 239 A HA -0.102 4.216 4.320 -0.004 0.000 0.216 239 A C 2.246 179.818 177.584 -0.020 0.000 1.207 239 A CA 1.931 53.956 52.037 -0.021 0.000 0.622 239 A CB -1.144 17.845 19.000 -0.018 0.000 0.846 239 A HN 0.574 nan 8.150 nan 0.000 0.447 240 M N -0.769 118.822 119.600 -0.015 0.000 2.255 240 M HA -0.165 4.313 4.480 -0.004 0.000 0.259 240 M C 1.416 177.709 176.300 -0.012 0.000 1.071 240 M CA 1.921 57.213 55.300 -0.013 0.000 1.074 240 M CB -0.325 32.269 32.600 -0.009 0.000 1.384 240 M HN 0.390 nan 8.290 nan 0.000 0.415 241 L N -0.547 120.669 121.223 -0.012 0.000 2.529 241 L HA 0.192 4.530 4.340 -0.004 0.000 0.223 241 L C 1.675 178.539 176.870 -0.011 0.000 1.113 241 L CA 0.563 55.397 54.840 -0.009 0.000 0.861 241 L CB -0.166 41.890 42.059 -0.006 0.000 1.012 241 L HN 0.737 nan 8.230 nan 0.000 0.461 242 G N -0.135 108.654 108.800 -0.018 0.000 2.205 242 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.261 242 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.261 242 G C 0.457 175.344 174.900 -0.021 0.000 0.980 242 G CA 0.444 45.529 45.100 -0.024 0.000 0.632 242 G HN 0.299 nan 8.290 nan 0.000 0.533 243 T N 2.284 116.830 114.554 -0.014 0.000 2.930 243 T HA 0.502 4.849 4.350 -0.004 0.000 0.306 243 T C 0.378 175.067 174.700 -0.018 0.000 1.045 243 T CA 0.482 62.576 62.100 -0.010 0.000 1.134 243 T CB 1.175 70.041 68.868 -0.004 0.000 0.961 243 T HN 0.688 nan 8.240 nan 0.000 0.545 244 L N 1.208 122.421 121.223 -0.016 0.000 2.331 244 L HA 0.604 4.942 4.340 -0.004 0.000 0.275 244 L C 0.069 176.934 176.870 -0.009 0.000 1.022 244 L CA -1.156 53.672 54.840 -0.020 0.000 0.812 244 L CB 0.091 42.133 42.059 -0.027 0.000 1.257 244 L HN 0.308 nan 8.230 nan 0.000 0.435 245 D N 1.095 121.490 120.400 -0.009 0.000 2.417 245 D HA 0.014 4.652 4.640 -0.004 0.000 0.250 245 D C 0.820 177.120 176.300 -0.000 0.000 1.166 245 D CA 0.224 54.221 54.000 -0.004 0.000 0.881 245 D CB 0.884 41.681 40.800 -0.005 0.000 1.164 245 D HN 0.565 nan 8.370 nan 0.000 0.467 246 D N 2.028 122.430 120.400 0.003 0.000 2.244 246 D HA -0.243 4.394 4.640 -0.004 0.000 0.197 246 D C 1.364 177.669 176.300 0.008 0.000 1.006 246 D CA 1.084 55.088 54.000 0.007 0.000 0.888 246 D CB 0.108 40.914 40.800 0.009 0.000 0.912 246 D HN 0.584 nan 8.370 nan 0.000 0.452 247 D N 0.315 120.718 120.400 0.005 0.000 2.182 247 D HA -0.255 4.383 4.640 -0.004 0.000 0.193 247 D C 1.965 178.270 176.300 0.007 0.000 0.999 247 D CA 2.316 56.319 54.000 0.005 0.000 0.850 247 D CB -0.374 40.427 40.800 0.003 0.000 0.994 247 D HN 0.179 nan 8.370 nan 0.000 0.450 248 Q N -0.167 119.637 119.800 0.008 0.000 2.224 248 Q HA -0.296 4.042 4.340 -0.004 0.000 0.213 248 Q C 1.878 177.891 176.000 0.021 0.000 0.998 248 Q CA 2.622 58.432 55.803 0.013 0.000 0.895 248 Q CB -0.548 28.196 28.738 0.009 0.000 0.926 248 Q HN 0.382 nan 8.270 nan 0.000 0.417 249 A N 0.340 123.173 122.820 0.021 0.000 1.835 249 A HA -0.185 4.133 4.320 -0.004 0.000 0.215 249 A C 2.011 179.609 177.584 0.024 0.000 1.199 249 A CA 1.532 53.586 52.037 0.030 0.000 0.615 249 A CB -1.112 17.905 19.000 0.029 0.000 0.838 249 A HN 0.505 nan 8.150 nan 0.000 0.444 250 L N 0.368 121.601 121.223 0.016 0.000 1.989 250 L HA -0.151 4.187 4.340 -0.004 0.000 0.211 250 L C 2.529 179.398 176.870 -0.001 0.000 1.071 250 L CA 2.664 57.509 54.840 0.007 0.000 0.749 250 L CB -1.061 41.002 42.059 0.005 0.000 0.890 250 L HN 0.348 nan 8.230 nan 0.000 0.431 251 S N -0.591 115.110 115.700 0.002 0.000 2.423 251 S HA -0.203 4.265 4.470 -0.004 0.000 0.238 251 S C 1.771 176.369 174.600 -0.004 0.000 1.028 251 S CA 1.547 59.746 58.200 -0.001 0.000 1.000 251 S CB -0.477 62.726 63.200 0.005 0.000 0.797 251 S HN 0.377 nan 8.310 nan 0.000 0.487 252 L N 1.277 122.502 121.223 0.004 0.000 2.068 252 L HA 0.078 4.416 4.340 -0.004 0.000 0.204 252 L C 2.210 179.065 176.870 -0.025 0.000 1.076 252 L CA 1.246 56.088 54.840 0.003 0.000 0.753 252 L CB -1.145 40.931 42.059 0.029 0.000 0.910 252 L HN 0.120 nan 8.230 nan 0.000 0.439 253 V N 0.394 120.291 119.914 -0.028 0.000 2.215 253 V HA -0.387 3.731 4.120 -0.004 0.000 0.249 253 V C 2.443 178.473 176.094 -0.106 0.000 1.054 253 V CA 2.227 64.483 62.300 -0.073 0.000 1.012 253 V CB -0.921 30.871 31.823 -0.052 0.000 0.639 253 V HN 0.492 nan 8.190 nan 0.000 0.448 254 E N 0.675 120.834 120.200 -0.068 0.000 2.119 254 E HA -0.385 3.962 4.350 -0.004 0.000 0.221 254 E C 2.270 178.832 176.600 -0.063 0.000 1.062 254 E CA 1.843 58.209 56.400 -0.058 0.000 0.894 254 E CB -0.618 29.064 29.700 -0.030 0.000 0.785 254 E HN 0.620 nan 8.360 nan 0.000 0.472 255 A N 1.335 124.124 122.820 -0.051 0.000 1.948 255 A HA -0.231 4.086 4.320 -0.004 0.000 0.220 255 A C 2.152 179.685 177.584 -0.085 0.000 1.177 255 A CA 1.984 53.990 52.037 -0.052 0.000 0.636 255 A CB -0.594 18.385 19.000 -0.034 0.000 0.815 255 A HN 0.364 nan 8.150 nan 0.000 0.449 256 M N 0.382 119.917 119.600 -0.108 0.000 2.098 256 M HA -0.121 4.357 4.480 -0.004 0.000 0.262 256 M C 2.130 178.308 176.300 -0.204 0.000 1.072 256 M CA 2.400 57.611 55.300 -0.148 0.000 1.133 256 M CB -0.348 32.173 32.600 -0.133 0.000 1.344 256 M HN 0.389 nan 8.290 nan 0.000 0.414 257 V N -1.294 118.474 119.914 -0.242 0.000 2.469 257 V HA -0.208 3.910 4.120 -0.004 0.000 0.251 257 V C 1.394 177.548 176.094 0.100 0.000 1.064 257 V CA 2.097 64.342 62.300 -0.092 0.000 1.066 257 V CB -1.456 30.273 31.823 -0.157 0.000 0.667 257 V HN 0.565 nan 8.190 nan 0.000 0.461 258 E N 0.763 120.952 120.200 -0.018 0.000 2.512 258 E HA 0.366 4.714 4.350 -0.004 0.000 0.195 258 E C 1.564 178.130 176.600 -0.056 0.000 1.083 258 E CA 0.541 56.944 56.400 0.005 0.000 0.873 258 E CB -0.190 29.505 29.700 -0.009 0.000 0.897 258 E HN 0.838 nan 8.360 nan 0.000 0.514 259 A N 1.621 124.297 122.820 -0.240 0.000 3.420 259 A HA -0.267 4.050 4.320 -0.004 0.000 0.269 259 A C 0.693 178.172 177.584 -0.175 0.000 1.122 259 A CA 1.011 52.806 52.037 -0.403 0.000 1.023 259 A CB -2.052 16.770 19.000 -0.297 0.000 1.099 259 A HN 0.414 nan 8.150 nan 0.000 0.860 260 N N 0.797 119.433 118.700 -0.107 0.000 2.406 260 N HA 0.359 5.097 4.740 -0.004 0.000 0.265 260 N C 1.224 176.697 175.510 -0.061 0.000 1.203 260 N CA 0.997 54.009 53.050 -0.063 0.000 0.945 260 N CB 0.491 38.955 38.487 -0.039 0.000 1.165 260 N HN 0.443 nan 8.380 nan 0.000 0.485 261 G N 3.359 112.128 108.800 -0.052 0.000 2.404 261 G HA2 -0.164 3.794 3.960 -0.004 0.000 0.213 261 G HA3 -0.164 3.794 3.960 -0.004 0.000 0.213 261 G C 1.091 175.975 174.900 -0.027 0.000 1.189 261 G CA 0.282 45.357 45.100 -0.042 0.000 0.796 261 G HN 0.684 nan 8.290 nan 0.000 0.532 262 E N 0.103 120.290 120.200 -0.021 0.000 2.055 262 E HA -0.277 4.070 4.350 -0.004 0.000 0.209 262 E C 2.483 179.078 176.600 -0.009 0.000 1.036 262 E CA 1.398 57.790 56.400 -0.013 0.000 0.849 262 E CB -0.212 29.482 29.700 -0.010 0.000 0.767 262 E HN 0.346 nan 8.360 nan 0.000 0.461 263 R N 0.770 121.263 120.500 -0.012 0.000 2.096 263 R HA -0.189 4.148 4.340 -0.004 0.000 0.240 263 R C 2.363 178.660 176.300 -0.005 0.000 1.139 263 R CA 1.604 57.700 56.100 -0.007 0.000 0.952 263 R CB -0.388 29.905 30.300 -0.012 0.000 0.854 263 R HN 0.033 nan 8.270 nan 0.000 0.436 264 V N 0.894 120.800 119.914 -0.014 0.000 2.231 264 V HA -0.348 3.770 4.120 -0.004 0.000 0.248 264 V C 2.453 178.549 176.094 0.003 0.000 1.054 264 V CA 2.075 64.369 62.300 -0.010 0.000 1.015 264 V CB -0.375 31.434 31.823 -0.024 0.000 0.638 264 V HN 0.407 nan 8.190 nan 0.000 0.444 265 M N -0.601 118.997 119.600 -0.004 0.000 2.175 265 M HA -0.081 4.396 4.480 -0.004 0.000 0.264 265 M C 2.385 178.697 176.300 0.019 0.000 1.063 265 M CA 2.006 57.306 55.300 0.000 0.000 1.119 265 M CB -1.608 30.986 32.600 -0.010 0.000 1.377 265 M HN 0.421 nan 8.290 nan 0.000 0.415 266 A N 0.887 123.717 122.820 0.017 0.000 1.851 266 A HA -0.169 4.148 4.320 -0.004 0.000 0.216 266 A C 2.311 179.920 177.584 0.041 0.000 1.195 266 A CA 1.561 53.613 52.037 0.025 0.000 0.622 266 A CB -1.175 17.834 19.000 0.016 0.000 0.831 266 A HN 0.456 nan 8.150 nan 0.000 0.444 267 L N -0.642 120.603 121.223 0.037 0.000 2.189 267 L HA -0.234 4.104 4.340 -0.004 0.000 0.214 267 L C 2.450 179.374 176.870 0.090 0.000 1.097 267 L CA 1.212 56.082 54.840 0.049 0.000 0.764 267 L CB -0.389 41.693 42.059 0.037 0.000 0.900 267 L HN 0.457 nan 8.230 nan 0.000 0.436 268 I N -0.906 119.728 120.570 0.106 0.000 2.233 268 I HA -0.262 3.906 4.170 -0.004 0.000 0.243 268 I C 2.366 178.635 176.117 0.252 0.000 1.093 268 I CA 0.824 62.240 61.300 0.193 0.000 1.380 268 I CB -0.367 37.685 38.000 0.088 0.000 1.067 268 I HN 0.326 nan 8.210 nan 0.000 0.413 269 N N 1.201 119.989 118.700 0.147 0.000 2.061 269 N HA -0.288 4.450 4.740 -0.004 0.000 0.193 269 N C 1.803 177.382 175.510 0.115 0.000 1.030 269 N CA 1.881 55.010 53.050 0.132 0.000 0.856 269 N CB -0.172 38.359 38.487 0.074 0.000 1.023 269 N HN 0.425 nan 8.380 nan 0.000 0.424 270 E N -0.109 120.140 120.200 0.082 0.000 2.110 270 E HA -0.127 4.221 4.350 -0.004 0.000 0.193 270 E C 1.681 178.303 176.600 0.036 0.000 0.988 270 E CA 1.141 57.570 56.400 0.049 0.000 0.804 270 E CB -0.129 29.592 29.700 0.035 0.000 0.745 270 E HN 0.380 nan 8.360 nan 0.000 0.458 271 A N 1.024 123.882 122.820 0.062 0.000 1.969 271 A HA 0.047 4.365 4.320 -0.004 0.000 0.218 271 A C 2.329 179.853 177.584 -0.101 0.000 1.169 271 A CA 1.401 53.435 52.037 -0.006 0.000 0.635 271 A CB -0.479 18.554 19.000 0.054 0.000 0.810 271 A HN 0.411 nan 8.150 nan 0.000 0.445 272 A N -0.392 122.455 122.820 0.046 0.000 2.016 272 A HA 0.338 4.655 4.320 -0.004 0.000 0.217 272 A C 2.348 179.931 177.584 -0.002 0.000 1.162 272 A CA 1.470 53.534 52.037 0.045 0.000 0.662 272 A CB -0.649 18.573 19.000 0.370 0.000 0.812 272 A HN 0.878 nan 8.150 nan 0.000 0.450 273 A N 0.259 123.086 122.820 0.011 0.000 1.929 273 A HA -0.088 4.230 4.320 -0.004 0.000 0.216 273 A C 2.076 179.638 177.584 -0.037 0.000 1.176 273 A CA 1.132 53.167 52.037 -0.003 0.000 0.628 273 A CB -0.349 18.656 19.000 0.009 0.000 0.816 273 A HN 0.511 nan 8.150 nan 0.000 0.444 274 R N -0.738 119.725 120.500 -0.061 0.000 2.323 274 R HA 0.153 4.490 4.340 -0.004 0.000 0.198 274 R C 1.177 177.399 176.300 -0.130 0.000 0.988 274 R CA 0.413 56.464 56.100 -0.082 0.000 1.041 274 R CB -0.324 29.930 30.300 -0.078 0.000 0.926 274 R HN 0.601 nan 8.270 nan 0.000 0.476 275 G N 2.911 111.610 108.800 -0.168 0.000 2.321 275 G HA2 -0.296 3.662 3.960 -0.004 0.000 0.287 275 G HA3 -0.296 3.662 3.960 -0.004 0.000 0.287 275 G C 0.382 175.083 174.900 -0.331 0.000 1.018 275 G CA 0.632 45.593 45.100 -0.230 0.000 0.855 275 G HN 0.578 nan 8.290 nan 0.000 0.507 276 I N -2.393 117.931 120.570 -0.410 0.000 2.813 276 I HA 0.484 4.652 4.170 -0.004 0.000 0.287 276 I C 0.411 176.186 176.117 -0.571 0.000 1.196 276 I CA -0.582 60.483 61.300 -0.392 0.000 1.421 276 I CB 0.550 38.355 38.000 -0.325 0.000 1.365 276 I HN 0.247 nan 8.210 nan 0.000 0.591 277 E N 4.724 124.719 120.200 -0.343 0.000 2.223 277 E HA 0.102 4.450 4.350 -0.004 0.000 0.282 277 E C -0.313 176.177 176.600 -0.183 0.000 1.046 277 E CA -0.261 55.968 56.400 -0.286 0.000 0.857 277 E CB 0.536 30.162 29.700 -0.123 0.000 1.055 277 E HN 0.712 nan 8.360 nan 0.000 0.409 278 W N 2.481 123.779 121.300 -0.003 0.000 2.317 278 W HA -0.262 4.395 4.660 -0.004 0.000 0.318 278 W C 2.232 178.750 176.519 -0.002 0.000 1.227 278 W CA 1.333 58.677 57.345 -0.002 0.000 1.269 278 W CB -0.040 29.419 29.460 -0.002 0.000 1.155 278 W HN 0.694 nan 8.180 nan 0.000 0.484 279 E N 0.621 120.952 120.200 0.218 0.000 2.097 279 E HA -0.289 4.059 4.350 -0.004 0.000 0.196 279 E C 2.209 178.868 176.600 0.098 0.000 1.000 279 E CA 1.845 58.321 56.400 0.128 0.000 0.804 279 E CB -0.362 29.382 29.700 0.073 0.000 0.740 279 E HN 0.188 nan 8.360 nan 0.000 0.454 280 A N 0.845 123.707 122.820 0.069 0.000 1.883 280 A HA -0.203 4.115 4.320 -0.004 0.000 0.217 280 A C 2.145 179.765 177.584 0.059 0.000 1.186 280 A CA 1.580 53.641 52.037 0.040 0.000 0.624 280 A CB -0.850 18.151 19.000 0.002 0.000 0.822 280 A HN 0.412 nan 8.150 nan 0.000 0.444 281 L N -0.219 121.057 121.223 0.090 0.000 1.955 281 L HA -0.167 4.171 4.340 -0.004 0.000 0.213 281 L C 2.346 179.285 176.870 0.115 0.000 1.072 281 L CA 2.030 56.940 54.840 0.116 0.000 0.755 281 L CB -0.736 41.455 42.059 0.220 0.000 0.888 281 L HN 0.434 nan 8.230 nan 0.000 0.432 282 L N -1.239 120.065 121.223 0.135 0.000 2.123 282 L HA -0.333 4.005 4.340 -0.004 0.000 0.217 282 L C 2.325 179.241 176.870 0.076 0.000 1.081 282 L CA 1.682 56.580 54.840 0.096 0.000 0.772 282 L CB -0.467 41.643 42.059 0.084 0.000 0.890 282 L HN 0.265 nan 8.230 nan 0.000 0.437 283 V N -1.077 118.879 119.914 0.071 0.000 2.407 283 V HA -0.193 3.925 4.120 -0.004 0.000 0.245 283 V C 2.321 178.457 176.094 0.071 0.000 1.041 283 V CA 1.412 63.749 62.300 0.062 0.000 1.040 283 V CB -0.420 31.431 31.823 0.048 0.000 0.671 283 V HN 0.417 nan 8.190 nan 0.000 0.455 284 E N -0.157 120.082 120.200 0.064 0.000 2.160 284 E HA -0.224 4.124 4.350 -0.004 0.000 0.195 284 E C 2.216 178.861 176.600 0.076 0.000 0.991 284 E CA 1.409 57.846 56.400 0.063 0.000 0.810 284 E CB -0.189 29.539 29.700 0.048 0.000 0.742 284 E HN 0.555 nan 8.360 nan 0.000 0.466 285 M N 0.170 119.819 119.600 0.081 0.000 2.086 285 M HA -0.175 4.302 4.480 -0.004 0.000 0.261 285 M C 2.425 178.802 176.300 0.128 0.000 1.067 285 M CA 1.323 56.675 55.300 0.088 0.000 1.116 285 M CB -0.369 32.279 32.600 0.081 0.000 1.348 285 M HN 0.093 nan 8.290 nan 0.000 0.407 286 L N -0.379 120.931 121.223 0.145 0.000 2.083 286 L HA -0.125 4.213 4.340 -0.004 0.000 0.209 286 L C 2.682 179.704 176.870 0.253 0.000 1.083 286 L CA 1.399 56.382 54.840 0.238 0.000 0.752 286 L CB -1.201 40.961 42.059 0.171 0.000 0.899 286 L HN 0.393 nan 8.230 nan 0.000 0.433 287 G N -0.127 108.773 108.800 0.167 0.000 2.421 287 G HA2 -0.212 3.745 3.960 -0.004 0.000 0.216 287 G HA3 -0.212 3.745 3.960 -0.004 0.000 0.216 287 G C 1.626 176.616 174.900 0.149 0.000 1.171 287 G CA 0.706 45.898 45.100 0.154 0.000 0.775 287 G HN 0.226 nan 8.290 nan 0.000 0.543 288 L N -0.168 121.122 121.223 0.112 0.000 2.005 288 L HA 0.001 4.339 4.340 -0.004 0.000 0.207 288 L C 2.977 179.894 176.870 0.078 0.000 1.072 288 L CA 0.629 55.515 54.840 0.077 0.000 0.744 288 L CB -0.495 41.596 42.059 0.053 0.000 0.895 288 L HN 0.183 nan 8.230 nan 0.000 0.433 289 L N -0.901 120.393 121.223 0.118 0.000 2.013 289 L HA -0.340 3.997 4.340 -0.004 0.000 0.212 289 L C 2.759 179.668 176.870 0.065 0.000 1.073 289 L CA 1.615 56.529 54.840 0.123 0.000 0.753 289 L CB -0.928 41.273 42.059 0.236 0.000 0.890 289 L HN 0.434 nan 8.230 nan 0.000 0.432 290 H N 0.436 119.491 119.070 -0.025 0.000 2.290 290 H HA -0.224 4.329 4.556 -0.004 0.000 0.298 290 H C 2.508 177.789 175.328 -0.079 0.000 1.087 290 H CA 2.113 58.075 56.048 -0.143 0.000 1.291 290 H CB 0.185 29.877 29.762 -0.116 0.000 1.369 290 H HN 0.173 nan 8.280 nan 0.000 0.492 291 R N 0.371 120.794 120.500 -0.129 0.000 2.096 291 R HA -0.083 4.254 4.340 -0.004 0.000 0.235 291 R C 2.757 178.962 176.300 -0.158 0.000 1.127 291 R CA 1.361 57.350 56.100 -0.185 0.000 0.968 291 R CB -0.167 30.101 30.300 -0.052 0.000 0.861 291 R HN 0.362 nan 8.270 nan 0.000 0.440 292 I N 0.317 120.835 120.570 -0.087 0.000 2.091 292 I HA -0.336 3.831 4.170 -0.004 0.000 0.239 292 I C 2.396 178.461 176.117 -0.087 0.000 1.061 292 I CA 1.621 62.884 61.300 -0.061 0.000 1.317 292 I CB -0.546 37.444 38.000 -0.018 0.000 1.031 292 I HN 0.329 nan 8.210 nan 0.000 0.401 293 A N -0.256 122.497 122.820 -0.111 0.000 2.024 293 A HA -0.265 4.053 4.320 -0.004 0.000 0.220 293 A C 2.194 179.685 177.584 -0.156 0.000 1.164 293 A CA 1.886 53.854 52.037 -0.115 0.000 0.643 293 A CB -0.513 18.408 19.000 -0.131 0.000 0.806 293 A HN 0.399 nan 8.150 nan 0.000 0.451 294 M N -1.069 118.384 119.600 -0.244 0.000 2.160 294 M HA -0.002 4.476 4.480 -0.004 0.000 0.264 294 M C 1.957 178.180 176.300 -0.129 0.000 1.073 294 M CA 1.162 56.329 55.300 -0.222 0.000 1.142 294 M CB -0.291 32.113 32.600 -0.326 0.000 1.358 294 M HN 0.124 nan 8.290 nan 0.000 0.422 295 V N 0.566 120.412 119.914 -0.112 0.000 2.380 295 V HA -0.356 3.762 4.120 -0.004 0.000 0.251 295 V C 2.202 178.265 176.094 -0.052 0.000 1.063 295 V CA 1.953 64.212 62.300 -0.069 0.000 1.055 295 V CB -0.896 30.896 31.823 -0.053 0.000 0.657 295 V HN 0.564 nan 8.190 nan 0.000 0.455 296 Q N -1.098 118.669 119.800 -0.054 0.000 2.124 296 Q HA -0.184 4.154 4.340 -0.004 0.000 0.202 296 Q C 2.273 178.251 176.000 -0.038 0.000 0.977 296 Q CA 1.345 57.125 55.803 -0.038 0.000 0.850 296 Q CB -0.210 28.508 28.738 -0.034 0.000 0.901 296 Q HN 0.494 nan 8.270 nan 0.000 0.429 297 L N 0.022 121.215 121.223 -0.050 0.000 1.938 297 L HA 0.008 4.345 4.340 -0.004 0.000 0.212 297 L C 1.017 177.867 176.870 -0.033 0.000 1.085 297 L CA 1.299 56.114 54.840 -0.041 0.000 0.760 297 L CB -0.486 41.544 42.059 -0.048 0.000 0.888 297 L HN 0.086 nan 8.230 nan 0.000 0.433 298 S N -1.046 114.632 115.700 -0.037 0.000 2.509 298 S HA 0.402 4.870 4.470 -0.004 0.000 0.297 298 S C -1.826 172.756 174.600 -0.031 0.000 1.118 298 S CA -1.468 56.715 58.200 -0.029 0.000 1.074 298 S CB 1.639 64.823 63.200 -0.026 0.000 1.038 298 S HN 0.077 nan 8.310 nan 0.000 0.498 299 P HA 0.228 nan 4.420 nan 0.000 0.220 299 P C 0.807 178.095 177.300 -0.020 0.000 1.154 299 P CA 0.425 63.512 63.100 -0.022 0.000 0.837 299 P CB -0.019 31.671 31.700 -0.016 0.000 0.815 300 A N 0.059 122.869 122.820 -0.016 0.000 2.264 300 A HA 0.170 4.488 4.320 -0.004 0.000 0.207 300 A C 2.032 179.606 177.584 -0.016 0.000 1.196 300 A CA 1.213 53.242 52.037 -0.013 0.000 0.778 300 A CB -1.383 17.611 19.000 -0.010 0.000 0.779 300 A HN 0.192 nan 8.150 nan 0.000 0.483 301 A N -0.582 122.224 122.820 -0.024 0.000 2.021 301 A HA 0.276 4.594 4.320 -0.004 0.000 0.216 301 A C 1.063 178.628 177.584 -0.032 0.000 1.163 301 A CA 0.159 52.178 52.037 -0.031 0.000 0.676 301 A CB -0.391 18.581 19.000 -0.047 0.000 0.818 301 A HN 0.656 nan 8.150 nan 0.000 0.453 302 L N 1.072 122.278 121.223 -0.030 0.000 2.499 302 L HA 0.411 4.748 4.340 -0.004 0.000 0.273 302 L C 0.913 177.775 176.870 -0.014 0.000 1.195 302 L CA -0.119 54.705 54.840 -0.026 0.000 0.882 302 L CB 0.349 42.395 42.059 -0.022 0.000 1.133 302 L HN 0.270 nan 8.230 nan 0.000 0.483 303 G N 3.101 111.895 108.800 -0.010 0.000 2.474 303 G HA2 -0.152 3.806 3.960 -0.004 0.000 0.233 303 G HA3 -0.152 3.806 3.960 -0.004 0.000 0.233 303 G C 0.721 175.623 174.900 0.002 0.000 1.278 303 G CA -0.089 45.011 45.100 -0.000 0.000 0.861 303 G HN 0.903 nan 8.290 nan 0.000 0.567 304 N N 1.113 119.816 118.700 0.005 0.000 2.188 304 N HA -0.143 4.595 4.740 -0.004 0.000 0.184 304 N C 1.854 177.368 175.510 0.007 0.000 1.018 304 N CA 1.602 54.656 53.050 0.006 0.000 0.858 304 N CB -0.061 38.431 38.487 0.009 0.000 0.989 304 N HN 0.686 nan 8.380 nan 0.000 0.426 305 D N 0.291 120.697 120.400 0.008 0.000 2.264 305 D HA -0.166 4.471 4.640 -0.004 0.000 0.208 305 D C 1.334 177.639 176.300 0.008 0.000 0.966 305 D CA 0.712 54.717 54.000 0.009 0.000 0.864 305 D CB -0.591 40.215 40.800 0.011 0.000 0.933 305 D HN 0.528 nan 8.370 nan 0.000 0.499 306 M N -1.885 117.719 119.600 0.007 0.000 2.989 306 M HA 0.708 5.186 4.480 -0.004 0.000 0.307 306 M C 1.236 177.538 176.300 0.004 0.000 1.224 306 M CA -0.576 54.728 55.300 0.006 0.000 0.984 306 M CB 1.172 33.777 32.600 0.008 0.000 1.264 306 M HN -0.097 nan 8.290 nan 0.000 0.525 307 A N 1.577 124.399 122.820 0.004 0.000 1.873 307 A HA -0.060 4.257 4.320 -0.004 0.000 0.218 307 A C 2.307 179.893 177.584 0.002 0.000 1.193 307 A CA 2.271 54.310 52.037 0.002 0.000 0.629 307 A CB -0.867 18.135 19.000 0.003 0.000 0.826 307 A HN 0.816 nan 8.150 nan 0.000 0.447 308 A N -1.671 121.151 122.820 0.002 0.000 2.285 308 A HA 0.104 4.421 4.320 -0.004 0.000 0.214 308 A C 1.565 179.150 177.584 0.002 0.000 1.188 308 A CA 1.541 53.579 52.037 0.002 0.000 0.707 308 A CB -0.480 18.521 19.000 0.002 0.000 0.771 308 A HN 0.564 nan 8.150 nan 0.000 0.488 309 I N -3.073 117.498 120.570 0.002 0.000 4.827 309 I HA 0.004 4.172 4.170 -0.004 0.000 0.362 309 I C 1.728 177.845 176.117 0.000 0.000 1.237 309 I CA 0.380 61.681 61.300 0.002 0.000 1.366 309 I CB 0.127 38.129 38.000 0.003 0.000 1.742 309 I HN 0.453 nan 8.210 nan 0.000 0.588 310 E N 2.231 122.431 120.200 -0.000 0.000 2.070 310 E HA -0.259 4.089 4.350 -0.004 0.000 0.197 310 E C 2.257 178.856 176.600 -0.002 0.000 1.004 310 E CA 1.549 57.948 56.400 -0.002 0.000 0.805 310 E CB 0.109 29.808 29.700 -0.002 0.000 0.744 310 E HN 0.437 nan 8.360 nan 0.000 0.451 311 L N 0.745 121.967 121.223 -0.001 0.000 2.010 311 L HA -0.279 4.058 4.340 -0.004 0.000 0.219 311 L C 2.812 179.681 176.870 -0.001 0.000 1.077 311 L CA 1.998 56.837 54.840 -0.001 0.000 0.773 311 L CB -0.388 41.670 42.059 -0.000 0.000 0.892 311 L HN 0.257 nan 8.230 nan 0.000 0.436 312 R N -1.232 119.267 120.500 -0.001 0.000 2.073 312 R HA -0.126 4.212 4.340 -0.004 0.000 0.229 312 R C 2.328 178.626 176.300 -0.002 0.000 1.120 312 R CA 1.169 57.268 56.100 -0.001 0.000 0.967 312 R CB -0.033 30.266 30.300 -0.002 0.000 0.862 312 R HN 0.350 nan 8.270 nan 0.000 0.436 313 M N 0.318 119.916 119.600 -0.003 0.000 2.084 313 M HA -0.199 4.279 4.480 -0.004 0.000 0.259 313 M C 2.143 178.440 176.300 -0.006 0.000 1.072 313 M CA 1.665 56.962 55.300 -0.005 0.000 1.107 313 M CB -0.953 31.644 32.600 -0.006 0.000 1.299 313 M HN 0.097 nan 8.290 nan 0.000 0.413 314 R N 0.161 120.658 120.500 -0.006 0.000 2.140 314 R HA -0.239 4.099 4.340 -0.004 0.000 0.250 314 R C 2.053 178.352 176.300 -0.003 0.000 1.150 314 R CA 2.003 58.099 56.100 -0.006 0.000 0.966 314 R CB -0.758 29.539 30.300 -0.005 0.000 0.869 314 R HN 0.421 nan 8.270 nan 0.000 0.445 315 E N 0.954 121.153 120.200 -0.001 0.000 2.023 315 E HA -0.155 4.193 4.350 -0.004 0.000 0.196 315 E C 2.114 178.717 176.600 0.005 0.000 1.003 315 E CA 1.277 57.678 56.400 0.002 0.000 0.809 315 E CB -0.432 29.269 29.700 0.002 0.000 0.755 315 E HN 0.240 nan 8.360 nan 0.000 0.449 316 L N 0.003 121.228 121.223 0.003 0.000 2.034 316 L HA -0.312 4.026 4.340 -0.004 0.000 0.217 316 L C 2.476 179.353 176.870 0.012 0.000 1.077 316 L CA 1.688 56.532 54.840 0.007 0.000 0.769 316 L CB -0.586 41.473 42.059 -0.001 0.000 0.890 316 L HN 0.284 nan 8.230 nan 0.000 0.435 317 A N -0.610 122.213 122.820 0.004 0.000 2.066 317 A HA -0.191 4.127 4.320 -0.004 0.000 0.218 317 A C 2.408 179.994 177.584 0.005 0.000 1.157 317 A CA 1.513 53.551 52.037 0.001 0.000 0.670 317 A CB -0.486 18.508 19.000 -0.011 0.000 0.804 317 A HN 0.445 nan 8.150 nan 0.000 0.453 318 R N -0.269 120.234 120.500 0.005 0.000 2.100 318 R HA -0.076 4.262 4.340 -0.004 0.000 0.220 318 R C 2.132 178.439 176.300 0.012 0.000 1.091 318 R CA 1.954 58.058 56.100 0.006 0.000 0.986 318 R CB -0.357 29.945 30.300 0.004 0.000 0.888 318 R HN 0.546 nan 8.270 nan 0.000 0.444 319 T N -1.524 113.041 114.554 0.018 0.000 3.031 319 T HA 0.240 4.588 4.350 -0.004 0.000 0.254 319 T C 1.100 175.821 174.700 0.036 0.000 1.060 319 T CA -0.013 62.102 62.100 0.024 0.000 1.135 319 T CB 0.008 68.891 68.868 0.025 0.000 0.896 319 T HN 0.072 nan 8.240 nan 0.000 0.472 320 I N 2.934 123.532 120.570 0.046 0.000 2.331 320 I HA 0.394 4.562 4.170 -0.004 0.000 0.292 320 I C -2.656 173.499 176.117 0.064 0.000 0.998 320 I CA -2.937 58.408 61.300 0.074 0.000 1.267 320 I CB 1.132 39.200 38.000 0.113 0.000 1.386 320 I HN -0.075 nan 8.210 nan 0.000 0.476 321 P HA 0.067 nan 4.420 nan 0.000 0.262 321 P C -2.072 175.250 177.300 0.037 0.000 1.182 321 P CA -0.824 62.295 63.100 0.032 0.000 0.761 321 P CB 0.079 31.788 31.700 0.016 0.000 0.795 322 P HA -0.223 nan 4.420 nan 0.000 0.215 322 P C 1.543 178.853 177.300 0.016 0.000 1.157 322 P CA 2.088 65.199 63.100 0.019 0.000 0.874 322 P CB -0.588 31.114 31.700 0.003 0.000 0.790 323 T N -4.108 110.446 114.554 0.001 0.000 2.946 323 T HA -0.155 4.193 4.350 -0.004 0.000 0.271 323 T C 1.434 176.112 174.700 -0.037 0.000 1.104 323 T CA 1.446 63.538 62.100 -0.014 0.000 1.114 323 T CB -0.895 67.961 68.868 -0.021 0.000 0.867 323 T HN -0.032 nan 8.240 nan 0.000 0.513 324 D N 0.959 121.341 120.400 -0.029 0.000 2.149 324 D HA 0.196 4.834 4.640 -0.004 0.000 0.206 324 D C 2.041 178.298 176.300 -0.071 0.000 0.967 324 D CA 0.514 54.459 54.000 -0.092 0.000 0.848 324 D CB -0.234 40.566 40.800 0.000 0.000 0.998 324 D HN 0.431 nan 8.370 nan 0.000 0.474 325 I N 1.019 121.667 120.570 0.130 0.000 2.226 325 I HA -0.257 3.911 4.170 -0.004 0.000 0.245 325 I C 2.210 178.436 176.117 0.181 0.000 1.100 325 I CA 0.827 62.285 61.300 0.264 0.000 1.374 325 I CB -0.197 37.912 38.000 0.181 0.000 1.057 325 I HN -0.043 nan 8.210 nan 0.000 0.413 326 Q N 0.207 120.063 119.800 0.093 0.000 2.268 326 Q HA -0.245 4.093 4.340 -0.004 0.000 0.210 326 Q C 2.137 178.183 176.000 0.078 0.000 0.988 326 Q CA 1.544 57.410 55.803 0.104 0.000 0.883 326 Q CB -0.649 28.120 28.738 0.050 0.000 0.911 326 Q HN 0.433 nan 8.270 nan 0.000 0.430 327 L N -0.366 120.829 121.223 -0.047 0.000 1.961 327 L HA -0.157 4.181 4.340 -0.004 0.000 0.209 327 L C 2.017 178.840 176.870 -0.077 0.000 1.075 327 L CA 1.776 56.522 54.840 -0.156 0.000 0.749 327 L CB -1.308 40.530 42.059 -0.368 0.000 0.890 327 L HN 0.076 nan 8.230 nan 0.000 0.433 328 Y N -1.192 119.173 120.300 0.109 0.000 2.102 328 Y HA -0.340 4.208 4.550 -0.003 0.000 0.280 328 Y C 2.603 178.582 175.900 0.132 0.000 1.178 328 Y CA 2.300 60.471 58.100 0.119 0.000 1.146 328 Y CB -1.588 36.949 38.460 0.130 0.000 0.968 328 Y HN 0.366 nan 8.280 nan 0.000 0.504 329 Y N 1.071 121.483 120.300 0.186 0.000 2.097 329 Y HA -0.341 4.207 4.550 -0.004 0.000 0.282 329 Y C 2.672 178.616 175.900 0.072 0.000 1.152 329 Y CA 2.178 60.351 58.100 0.122 0.000 1.136 329 Y CB -0.755 37.771 38.460 0.110 0.000 0.975 329 Y HN 0.131 nan 8.280 nan 0.000 0.498 330 Q N -0.213 119.602 119.800 0.025 0.000 2.181 330 Q HA -0.138 4.200 4.340 -0.004 0.000 0.205 330 Q C 2.042 177.978 176.000 -0.106 0.000 0.980 330 Q CA 2.516 58.259 55.803 -0.100 0.000 0.862 330 Q CB -0.542 28.185 28.738 -0.018 0.000 0.905 330 Q HN 0.556 nan 8.270 nan 0.000 0.429 331 T N 0.113 114.644 114.554 -0.038 0.000 2.812 331 T HA 0.004 4.352 4.350 -0.004 0.000 0.264 331 T C 1.604 176.294 174.700 -0.017 0.000 1.042 331 T CA 0.948 63.034 62.100 -0.024 0.000 1.140 331 T CB -0.092 68.798 68.868 0.036 0.000 0.870 331 T HN 0.212 nan 8.240 nan 0.000 0.445 332 L N 0.314 121.535 121.223 -0.004 0.000 2.156 332 L HA 0.081 4.419 4.340 -0.004 0.000 0.208 332 L C 2.377 179.198 176.870 -0.081 0.000 1.095 332 L CA 0.646 55.479 54.840 -0.011 0.000 0.770 332 L CB -0.456 41.622 42.059 0.031 0.000 0.914 332 L HN 0.226 nan 8.230 nan 0.000 0.439 333 L N 0.894 122.007 121.223 -0.185 0.000 2.044 333 L HA -0.150 4.188 4.340 -0.004 0.000 0.205 333 L C 2.310 179.101 176.870 -0.132 0.000 1.075 333 L CA 1.552 56.249 54.840 -0.238 0.000 0.747 333 L CB -0.204 41.587 42.059 -0.446 0.000 0.903 333 L HN 0.276 nan 8.230 nan 0.000 0.435 334 I N -2.020 118.485 120.570 -0.109 0.000 3.176 334 I HA 0.138 4.306 4.170 -0.004 0.000 0.275 334 I C 1.992 178.087 176.117 -0.036 0.000 1.298 334 I CA 1.203 62.464 61.300 -0.065 0.000 1.445 334 I CB -1.089 36.871 38.000 -0.067 0.000 1.075 334 I HN 0.109 nan 8.210 nan 0.000 0.482 335 G N 0.792 109.570 108.800 -0.036 0.000 2.394 335 G HA2 -0.170 3.788 3.960 -0.004 0.000 0.214 335 G HA3 -0.170 3.788 3.960 -0.004 0.000 0.214 335 G C 1.821 176.720 174.900 -0.000 0.000 1.176 335 G CA 0.512 45.605 45.100 -0.012 0.000 0.786 335 G HN 0.390 nan 8.290 nan 0.000 0.533 336 R N 0.389 120.883 120.500 -0.010 0.000 2.083 336 R HA -0.070 4.268 4.340 -0.004 0.000 0.237 336 R C 2.493 178.803 176.300 0.017 0.000 1.137 336 R CA 1.682 57.783 56.100 0.002 0.000 0.951 336 R CB -0.275 30.016 30.300 -0.015 0.000 0.851 336 R HN 0.264 nan 8.270 nan 0.000 0.434 337 K N 0.099 120.507 120.400 0.012 0.000 2.286 337 K HA -0.184 4.134 4.320 -0.004 0.000 0.203 337 K C 1.499 178.167 176.600 0.113 0.000 1.045 337 K CA 1.707 58.022 56.287 0.047 0.000 0.935 337 K CB 0.134 32.645 32.500 0.019 0.000 0.737 337 K HN 0.347 nan 8.250 nan 0.000 0.460 338 E N -0.304 119.950 120.200 0.090 0.000 2.201 338 E HA -0.080 4.267 4.350 -0.004 0.000 0.193 338 E C 1.739 178.422 176.600 0.138 0.000 0.957 338 E CA 0.009 56.495 56.400 0.144 0.000 0.858 338 E CB 0.057 29.799 29.700 0.070 0.000 0.816 338 E HN 0.070 nan 8.360 nan 0.000 0.475 339 L N 2.103 123.359 121.223 0.056 0.000 2.054 339 L HA -0.222 4.116 4.340 -0.004 0.000 0.220 339 L C -0.996 175.858 176.870 -0.027 0.000 1.081 339 L CA 2.260 57.110 54.840 0.017 0.000 0.780 339 L CB -1.092 40.977 42.059 0.016 0.000 0.893 339 L HN 0.042 nan 8.230 nan 0.000 0.438 340 P HA -0.239 nan 4.420 nan 0.000 0.219 340 P C 0.961 178.029 177.300 -0.386 0.000 1.158 340 P CA 2.090 64.975 63.100 -0.358 0.000 0.895 340 P CB -0.174 31.102 31.700 -0.707 0.000 0.792 341 Y N -2.126 118.173 120.300 -0.001 0.000 2.507 341 Y HA 0.430 4.978 4.550 -0.004 0.000 0.263 341 Y C 1.515 177.411 175.900 -0.006 0.000 1.093 341 Y CA -0.324 57.774 58.100 -0.003 0.000 1.285 341 Y CB -0.864 37.593 38.460 -0.005 0.000 1.115 341 Y HN -0.180 nan 8.280 nan 0.000 0.533 342 A N 2.947 125.840 122.820 0.122 0.000 2.555 342 A HA 0.005 4.323 4.320 -0.004 0.000 0.233 342 A C -0.947 176.654 177.584 0.029 0.000 1.060 342 A CA -0.706 51.365 52.037 0.055 0.000 0.759 342 A CB -0.249 18.761 19.000 0.016 0.000 0.995 342 A HN 0.207 nan 8.150 nan 0.000 0.506 343 P HA -0.090 nan 4.420 nan 0.000 0.220 343 P C -0.011 177.291 177.300 0.004 0.000 1.144 343 P CA 1.708 64.814 63.100 0.012 0.000 0.800 343 P CB 0.079 31.780 31.700 0.003 0.000 0.772 344 D N -1.830 118.564 120.400 -0.010 0.000 2.633 344 D HA 0.092 4.730 4.640 -0.004 0.000 0.198 344 D C 0.806 177.078 176.300 -0.046 0.000 1.273 344 D CA -0.522 53.471 54.000 -0.012 0.000 0.830 344 D CB 0.868 41.656 40.800 -0.019 0.000 1.771 344 D HN -0.297 nan 8.370 nan 0.000 0.547 345 R N 1.885 122.389 120.500 0.007 0.000 2.096 345 R HA -0.124 4.214 4.340 -0.004 0.000 0.235 345 R C 2.112 178.234 176.300 -0.297 0.000 1.127 345 R CA 1.513 57.617 56.100 0.006 0.000 0.968 345 R CB 0.061 30.475 30.300 0.191 0.000 0.861 345 R HN 0.442 nan 8.270 nan 0.000 0.440 346 R N 1.055 121.225 120.500 -0.551 0.000 2.109 346 R HA -0.178 4.159 4.340 -0.004 0.000 0.227 346 R C 2.238 178.106 176.300 -0.719 0.000 1.132 346 R CA 2.019 57.314 56.100 -1.342 0.000 0.907 346 R CB -0.486 29.452 30.300 -0.603 0.000 0.825 346 R HN 0.067 nan 8.270 nan 0.000 0.432 347 M N 0.078 119.461 119.600 -0.361 0.000 2.345 347 M HA -0.282 4.196 4.480 -0.004 0.000 0.253 347 M C 2.132 178.304 176.300 -0.214 0.000 1.068 347 M CA 2.585 57.752 55.300 -0.222 0.000 1.069 347 M CB -0.783 31.746 32.600 -0.118 0.000 1.292 347 M HN 0.598 nan 8.290 nan 0.000 0.430 348 G N -1.228 107.458 108.800 -0.189 0.000 2.476 348 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.218 348 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.218 348 G C 1.319 176.130 174.900 -0.148 0.000 1.164 348 G CA 1.193 46.218 45.100 -0.125 0.000 0.768 348 G HN 0.423 nan 8.290 nan 0.000 0.560 349 V N 0.482 120.247 119.914 -0.249 0.000 2.237 349 V HA -0.186 3.931 4.120 -0.004 0.000 0.245 349 V C 2.634 178.610 176.094 -0.197 0.000 1.046 349 V CA 2.379 64.554 62.300 -0.207 0.000 1.007 349 V CB -0.639 31.025 31.823 -0.264 0.000 0.638 349 V HN 0.487 nan 8.190 nan 0.000 0.445 350 E N -0.810 119.210 120.200 -0.298 0.000 2.055 350 E HA -0.383 3.965 4.350 -0.004 0.000 0.209 350 E C 2.160 178.697 176.600 -0.105 0.000 1.036 350 E CA 2.305 58.586 56.400 -0.198 0.000 0.849 350 E CB -0.318 29.252 29.700 -0.218 0.000 0.767 350 E HN 0.376 nan 8.360 nan 0.000 0.461 351 M N 0.449 119.990 119.600 -0.098 0.000 2.143 351 M HA -0.181 4.297 4.480 -0.004 0.000 0.258 351 M C 2.078 178.368 176.300 -0.015 0.000 1.071 351 M CA 1.811 57.083 55.300 -0.047 0.000 1.088 351 M CB -0.555 32.018 32.600 -0.045 0.000 1.360 351 M HN 0.020 nan 8.290 nan 0.000 0.404 352 T N 0.177 114.717 114.554 -0.024 0.000 2.904 352 T HA -0.019 4.329 4.350 -0.004 0.000 0.267 352 T C 1.739 176.459 174.700 0.033 0.000 1.059 352 T CA 1.267 63.371 62.100 0.007 0.000 1.137 352 T CB -0.181 68.686 68.868 -0.002 0.000 0.879 352 T HN 0.397 nan 8.240 nan 0.000 0.467 353 L N 0.313 121.544 121.223 0.014 0.000 2.240 353 L HA 0.131 4.469 4.340 -0.004 0.000 0.211 353 L C 2.295 179.191 176.870 0.043 0.000 1.106 353 L CA 0.580 55.441 54.840 0.035 0.000 0.793 353 L CB -0.428 41.635 42.059 0.007 0.000 0.927 353 L HN 0.246 nan 8.230 nan 0.000 0.446 354 L N -0.395 120.841 121.223 0.022 0.000 2.093 354 L HA -0.196 4.142 4.340 -0.004 0.000 0.208 354 L C 2.811 179.722 176.870 0.069 0.000 1.085 354 L CA 1.144 55.998 54.840 0.025 0.000 0.755 354 L CB -0.515 41.546 42.059 0.003 0.000 0.904 354 L HN 0.296 nan 8.230 nan 0.000 0.435 355 R N 0.345 120.906 120.500 0.102 0.000 2.083 355 R HA -0.201 4.136 4.340 -0.004 0.000 0.237 355 R C 2.334 178.801 176.300 0.279 0.000 1.137 355 R CA 1.506 57.729 56.100 0.204 0.000 0.951 355 R CB -0.261 30.140 30.300 0.168 0.000 0.851 355 R HN 0.332 nan 8.270 nan 0.000 0.434 356 A N 1.575 124.518 122.820 0.206 0.000 1.859 356 A HA -0.260 4.058 4.320 -0.004 0.000 0.218 356 A C 2.205 179.939 177.584 0.250 0.000 1.242 356 A CA 2.049 54.237 52.037 0.253 0.000 0.661 356 A CB -1.170 17.973 19.000 0.239 0.000 0.842 356 A HN 0.390 nan 8.150 nan 0.000 0.455 357 L N -1.101 120.207 121.223 0.142 0.000 2.054 357 L HA -0.359 3.979 4.340 -0.004 0.000 0.220 357 L C 3.034 179.951 176.870 0.077 0.000 1.081 357 L CA 1.773 56.655 54.840 0.070 0.000 0.780 357 L CB -0.798 41.262 42.059 0.000 0.000 0.893 357 L HN 0.547 nan 8.230 nan 0.000 0.438 358 A N -0.773 122.059 122.820 0.020 0.000 1.969 358 A HA -0.123 4.194 4.320 -0.004 0.000 0.218 358 A C 1.761 179.163 177.584 -0.303 0.000 1.169 358 A CA 1.334 53.272 52.037 -0.166 0.000 0.635 358 A CB -0.582 18.246 19.000 -0.287 0.000 0.810 358 A HN 0.402 nan 8.150 nan 0.000 0.445 359 F N -0.668 119.321 119.950 0.066 0.000 2.693 359 F HA 0.159 4.684 4.527 -0.003 0.000 0.303 359 F C 1.023 176.856 175.800 0.055 0.000 1.097 359 F CA -0.414 57.610 58.000 0.040 0.000 1.330 359 F CB -0.308 38.697 39.000 0.008 0.000 1.067 359 F HN 0.297 nan 8.300 nan 0.000 0.565 360 H N 3.007 122.147 119.070 0.117 0.000 3.140 360 H HA -0.052 4.502 4.556 -0.003 0.000 0.316 360 H C -1.674 173.690 175.328 0.061 0.000 0.986 360 H CA -0.803 55.310 56.048 0.108 0.000 1.397 360 H CB 1.213 31.049 29.762 0.123 0.000 1.377 360 H HN 0.011 nan 8.280 nan 0.000 0.585 361 P HA -0.105 nan 4.420 nan 0.000 0.218 361 P C 1.152 178.303 177.300 -0.249 0.000 1.149 361 P CA 1.106 64.045 63.100 -0.269 0.000 0.817 361 P CB 0.407 31.926 31.700 -0.301 0.000 0.785 362 R N -1.795 118.443 120.500 -0.436 0.000 2.221 362 R HA 0.347 4.685 4.340 -0.004 0.000 0.195 362 R C 0.844 177.168 176.300 0.040 0.000 0.956 362 R CA 0.691 56.703 56.100 -0.146 0.000 1.064 362 R CB -0.147 30.099 30.300 -0.090 0.000 1.049 362 R HN 0.299 nan 8.270 nan 0.000 0.534 363 M N 1.253 121.001 119.600 0.245 0.000 2.400 363 M HA 0.326 4.804 4.480 -0.004 0.000 0.241 363 M C -2.568 173.878 176.300 0.244 0.000 1.158 363 M CA -1.651 53.785 55.300 0.227 0.000 0.613 363 M CB 2.180 34.899 32.600 0.199 0.000 1.615 363 M HN -0.286 nan 8.290 nan 0.000 0.371 364 P HA 0.001 nan 4.420 nan 0.000 0.272 364 P C -0.401 176.924 177.300 0.041 0.000 1.239 364 P CA -0.412 62.744 63.100 0.094 0.000 0.807 364 P CB 0.515 32.222 31.700 0.011 0.000 0.951 365 L N 1.576 122.794 121.223 -0.008 0.000 2.436 365 L HA 0.332 4.670 4.340 -0.004 0.000 0.265 365 L C -1.964 174.884 176.870 -0.035 0.000 1.168 365 L CA -1.733 53.091 54.840 -0.027 0.000 0.815 365 L CB -0.970 41.058 42.059 -0.051 0.000 1.109 365 L HN 0.302 nan 8.230 nan 0.000 0.462 366 P HA 0.218 nan 4.420 nan 0.000 0.276 366 P C -0.983 176.297 177.300 -0.035 0.000 1.235 366 P CA -0.280 62.805 63.100 -0.025 0.000 0.772 366 P CB 0.624 32.313 31.700 -0.017 0.000 0.871 367 E N 2.921 123.100 120.200 -0.034 0.000 2.280 367 E HA 0.397 4.745 4.350 -0.004 0.000 0.264 367 E C -1.558 175.027 176.600 -0.025 0.000 1.064 367 E CA -1.592 54.786 56.400 -0.036 0.000 0.900 367 E CB -0.060 29.617 29.700 -0.038 0.000 1.123 367 E HN 0.355 nan 8.360 nan 0.000 0.418 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 368 P CB 0.000 31.690 31.700 -0.017 0.000 0.726