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 1jxk_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSSNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE HNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LSGLLDLALG KDYVRSKIAE YMNHLIDIGV AGFRIDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPEGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFMPSDR ALVFVDNHDN DATA SEQUENCE QRGHSILTFW DARLYKMAVG FMLAHPYGFT RVMSSYRWPR YFENGKDVND DATA SEQUENCE WVGPPNDNGV TKEVTINPDT TcGNDWVcEH RWRQIRNMVN FRNVVDGQPF DATA SEQUENCE TNWYDNGSNQ VAFGRGNRGF IVFNNDDWTF SLTLQTGLPA GTYcDVISGD DATA SEQUENCE KINGNcTGIK IYVSDDGKAH FSISNSAEDP FIAIHAESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.960 175.900 0.099 0.000 1.272 2 Y CA 0.000 58.206 58.100 0.178 0.000 1.940 2 Y CB 0.000 38.501 38.460 0.068 0.000 1.050 3 S N 1.319 117.086 115.700 0.113 0.000 2.489 3 S HA 0.317 4.788 4.470 0.001 0.000 0.277 3 S C 1.353 175.669 174.600 -0.473 0.000 1.230 3 S CA 0.271 58.401 58.200 -0.117 0.000 1.053 3 S CB 1.170 64.357 63.200 -0.023 0.000 0.955 3 S HN 0.374 nan 8.310 nan 0.000 0.488 4 S N 4.001 119.149 115.700 -0.919 0.000 2.442 4 S HA -0.116 4.355 4.470 0.001 0.000 0.236 4 S C 0.803 175.174 174.600 -0.382 0.000 1.007 4 S CA 0.972 58.327 58.200 -1.408 0.000 0.965 4 S CB -0.769 61.742 63.200 -1.148 0.000 0.773 4 S HN 0.938 nan 8.310 nan 0.000 0.504 5 N N 1.628 120.238 118.700 -0.149 0.000 2.741 5 N HA -0.141 4.600 4.740 0.001 0.000 0.251 5 N C 0.129 175.745 175.510 0.177 0.000 1.112 5 N CA 1.404 54.501 53.050 0.079 0.000 0.750 5 N CB -2.494 36.047 38.487 0.090 0.000 1.119 5 N HN 0.907 nan 8.380 nan 0.000 0.561 6 T N -2.320 112.297 114.554 0.104 0.000 2.788 6 T HA 0.192 4.543 4.350 0.001 0.000 0.287 6 T C 0.570 175.316 174.700 0.078 0.000 1.007 6 T CA -0.524 61.653 62.100 0.128 0.000 1.005 6 T CB 1.926 70.877 68.868 0.139 0.000 1.012 6 T HN 0.249 nan 8.240 nan 0.000 0.530 7 Q N 0.492 120.318 119.800 0.043 0.000 2.421 7 Q HA 0.072 4.413 4.340 0.001 0.000 0.255 7 Q C 0.064 176.072 176.000 0.015 0.000 1.013 7 Q CA -0.609 55.201 55.803 0.012 0.000 0.895 7 Q CB 0.492 29.222 28.738 -0.014 0.000 1.271 7 Q HN 0.709 nan 8.270 nan 0.000 0.460 8 Q N 1.654 121.458 119.800 0.007 0.000 2.262 8 Q HA 0.117 4.457 4.340 0.001 0.000 0.298 8 Q C 0.359 176.354 176.000 -0.008 0.000 1.083 8 Q CA 1.861 57.665 55.803 0.002 0.000 0.962 8 Q CB -0.265 28.472 28.738 -0.001 0.000 1.104 8 Q HN 0.882 nan 8.270 nan 0.000 0.376 9 G N 3.871 112.664 108.800 -0.012 0.000 2.131 9 G HA2 -0.238 3.723 3.960 0.001 0.000 0.223 9 G HA3 -0.238 3.723 3.960 0.001 0.000 0.223 9 G C -0.421 174.455 174.900 -0.040 0.000 0.990 9 G CA 0.001 45.082 45.100 -0.031 0.000 0.671 9 G HN 0.593 nan 8.290 nan 0.000 0.521 10 R N -0.113 120.375 120.500 -0.021 0.000 2.513 10 R HA 0.607 4.948 4.340 0.001 0.000 0.301 10 R C 0.864 177.148 176.300 -0.025 0.000 0.968 10 R CA -0.029 56.055 56.100 -0.027 0.000 0.872 10 R CB 1.391 31.699 30.300 0.014 0.000 1.177 10 R HN 0.276 nan 8.270 nan 0.000 0.444 11 T N -2.846 111.635 114.554 -0.122 0.000 3.040 11 T HA 0.231 4.582 4.350 0.001 0.000 0.266 11 T C 0.438 174.794 174.700 -0.574 0.000 1.005 11 T CA -0.208 61.730 62.100 -0.269 0.000 0.906 11 T CB 0.489 69.206 68.868 -0.252 0.000 1.082 11 T HN 0.273 nan 8.240 nan 0.000 0.531 12 S N 1.415 116.922 115.700 -0.322 0.000 2.599 12 S HA 0.795 5.265 4.470 0.001 0.000 0.287 12 S C -0.631 173.989 174.600 0.034 0.000 1.105 12 S CA -1.067 56.950 58.200 -0.304 0.000 0.899 12 S CB 1.655 64.707 63.200 -0.246 0.000 1.100 12 S HN 0.560 nan 8.310 nan 0.000 0.482 13 I N -0.699 119.940 120.570 0.115 0.000 2.562 13 I HA 0.881 5.051 4.170 0.001 0.000 0.301 13 I C -0.694 175.540 176.117 0.195 0.000 1.003 13 I CA -1.073 60.356 61.300 0.215 0.000 1.127 13 I CB 1.619 39.719 38.000 0.167 0.000 1.304 13 I HN 0.390 nan 8.210 nan 0.000 0.446 14 V N 4.739 124.771 119.914 0.198 0.000 2.555 14 V HA 0.354 4.475 4.120 0.001 0.000 0.302 14 V C -0.728 175.405 176.094 0.065 0.000 1.038 14 V CA -0.366 61.998 62.300 0.106 0.000 0.887 14 V CB 1.557 33.357 31.823 -0.038 0.000 0.991 14 V HN 0.912 nan 8.190 nan 0.000 0.434 15 H N 6.886 125.933 119.070 -0.038 0.000 2.846 15 H HA 0.365 4.921 4.556 0.001 0.000 0.278 15 H C -0.377 174.883 175.328 -0.112 0.000 1.117 15 H CA -0.697 55.343 56.048 -0.013 0.000 1.406 15 H CB 0.828 30.613 29.762 0.038 0.000 1.445 15 H HN 0.618 nan 8.280 nan 0.000 0.469 16 L N 7.679 128.810 121.223 -0.153 0.000 2.466 16 L HA 0.056 4.397 4.340 0.001 0.000 0.248 16 L C -0.090 176.673 176.870 -0.180 0.000 1.240 16 L CA -0.560 53.893 54.840 -0.645 0.000 1.180 16 L CB -0.608 40.759 42.059 -1.152 0.000 1.413 16 L HN 0.548 nan 8.230 nan 0.000 0.406 17 F N 4.149 123.877 119.950 -0.372 0.000 2.571 17 F HA -0.022 4.506 4.527 0.001 0.000 0.390 17 F C 1.377 177.380 175.800 0.337 0.000 1.043 17 F CA 0.224 58.051 58.000 -0.288 0.000 1.164 17 F CB -0.060 38.652 39.000 -0.480 0.000 1.049 17 F HN 0.503 nan 8.300 nan 0.000 0.552 18 E N 2.423 122.632 120.200 0.014 0.000 3.799 18 E HA -0.305 4.046 4.350 0.001 0.000 0.320 18 E C -0.455 176.247 176.600 0.171 0.000 0.760 18 E CA 1.022 57.420 56.400 -0.003 0.000 1.153 18 E CB -1.676 27.898 29.700 -0.210 0.000 1.589 18 E HN 0.640 nan 8.360 nan 0.000 0.448 19 W N 2.021 123.240 121.300 -0.135 0.000 2.158 19 W HA 0.147 4.808 4.660 0.001 0.000 0.339 19 W C 1.555 177.885 176.519 -0.315 0.000 1.294 19 W CA 0.090 57.225 57.345 -0.350 0.000 1.231 19 W CB 0.233 29.493 29.460 -0.334 0.000 1.143 19 W HN -0.094 nan 8.180 nan 0.000 0.571 20 R N 2.119 122.513 120.500 -0.176 0.000 2.641 20 R HA 0.041 4.382 4.340 0.001 0.000 0.269 20 R C 1.038 177.334 176.300 -0.006 0.000 1.074 20 R CA -0.349 55.577 56.100 -0.289 0.000 1.133 20 R CB 0.490 30.653 30.300 -0.229 0.000 1.029 20 R HN 0.708 nan 8.270 nan 0.000 0.488 21 W N 0.636 121.974 121.300 0.064 0.000 2.342 21 W HA -0.208 4.453 4.660 0.001 0.000 0.297 21 W C 1.979 178.503 176.519 0.009 0.000 1.213 21 W CA 0.037 57.408 57.345 0.043 0.000 1.251 21 W CB -0.285 29.213 29.460 0.064 0.000 1.136 21 W HN 0.433 nan 8.180 nan 0.000 0.526 22 V N 1.095 121.137 119.914 0.214 0.000 2.427 22 V HA -0.251 3.869 4.120 0.001 0.000 0.248 22 V C 1.733 177.874 176.094 0.079 0.000 1.051 22 V CA 2.308 64.676 62.300 0.114 0.000 1.048 22 V CB -0.485 31.375 31.823 0.061 0.000 0.666 22 V HN 0.053 nan 8.190 nan 0.000 0.456 23 D N -0.095 120.339 120.400 0.057 0.000 2.149 23 D HA -0.069 4.571 4.640 0.001 0.000 0.201 23 D C 2.093 178.529 176.300 0.227 0.000 0.972 23 D CA 1.595 55.620 54.000 0.042 0.000 0.835 23 D CB -0.083 40.604 40.800 -0.187 0.000 0.966 23 D HN 0.485 nan 8.370 nan 0.000 0.476 24 I N 1.405 122.145 120.570 0.284 0.000 2.179 24 I HA -0.243 3.927 4.170 0.001 0.000 0.242 24 I C 2.580 178.744 176.117 0.079 0.000 1.088 24 I CA 0.880 62.297 61.300 0.196 0.000 1.357 24 I CB -0.331 37.779 38.000 0.183 0.000 1.051 24 I HN -0.091 nan 8.210 nan 0.000 0.409 25 A N 1.371 124.232 122.820 0.068 0.000 1.892 25 A HA -0.208 4.113 4.320 0.001 0.000 0.218 25 A C 2.320 179.918 177.584 0.024 0.000 1.188 25 A CA 1.653 53.696 52.037 0.010 0.000 0.631 25 A CB -0.984 18.025 19.000 0.014 0.000 0.822 25 A HN 0.382 nan 8.150 nan 0.000 0.447 26 L N -1.191 120.063 121.223 0.053 0.000 2.046 26 L HA -0.212 4.129 4.340 0.001 0.000 0.208 26 L C 2.680 179.597 176.870 0.078 0.000 1.077 26 L CA 1.810 56.683 54.840 0.055 0.000 0.747 26 L CB -0.496 41.592 42.059 0.049 0.000 0.896 26 L HN 0.470 nan 8.230 nan 0.000 0.432 27 E N -0.311 119.958 120.200 0.115 0.000 2.118 27 E HA -0.217 4.134 4.350 0.001 0.000 0.195 27 E C 2.256 178.903 176.600 0.079 0.000 0.992 27 E CA 1.554 58.035 56.400 0.135 0.000 0.804 27 E CB -0.255 29.542 29.700 0.162 0.000 0.741 27 E HN 0.443 nan 8.360 nan 0.000 0.458 28 c N 0.547 119.158 118.600 0.017 0.000 2.413 28 c HA -0.140 4.431 4.570 0.001 0.000 0.276 28 c C 2.388 176.486 174.090 0.013 0.000 1.236 28 c CA 1.294 57.616 56.329 -0.012 0.000 1.735 28 c CB -0.946 41.529 42.510 -0.058 0.000 2.031 28 c HN 0.545 nan 8.230 nan 0.000 0.474 29 E N 0.349 120.561 120.200 0.021 0.000 2.046 29 E HA -0.163 4.188 4.350 0.001 0.000 0.190 29 E C 2.380 179.011 176.600 0.051 0.000 0.982 29 E CA 0.997 57.412 56.400 0.025 0.000 0.800 29 E CB -0.238 29.474 29.700 0.021 0.000 0.756 29 E HN 0.701 nan 8.360 nan 0.000 0.449 30 R N -0.866 119.684 120.500 0.084 0.000 2.246 30 R HA -0.008 4.332 4.340 0.001 0.000 0.199 30 R C 1.190 177.599 176.300 0.182 0.000 0.984 30 R CA 0.970 57.137 56.100 0.112 0.000 1.015 30 R CB 0.099 30.466 30.300 0.111 0.000 0.930 30 R HN 0.262 nan 8.270 nan 0.000 0.475 31 Y N 0.078 120.396 120.300 0.030 0.000 3.147 31 Y HA 0.258 4.808 4.550 0.001 0.000 0.219 31 Y C 1.732 177.659 175.900 0.045 0.000 1.021 31 Y CA -0.243 57.880 58.100 0.039 0.000 1.440 31 Y CB 0.148 38.626 38.460 0.031 0.000 1.472 31 Y HN -0.155 nan 8.280 nan 0.000 0.408 32 L N 0.727 121.996 121.223 0.077 0.000 2.012 32 L HA -0.184 4.156 4.340 0.001 0.000 0.210 32 L C 2.657 179.568 176.870 0.069 0.000 1.073 32 L CA 1.563 56.403 54.840 -0.000 0.000 0.748 32 L CB -0.960 41.069 42.059 -0.050 0.000 0.891 32 L HN 0.405 nan 8.230 nan 0.000 0.431 33 A N 0.803 123.638 122.820 0.026 0.000 1.841 33 A HA -0.129 4.192 4.320 0.001 0.000 0.216 33 A C 0.162 177.747 177.584 0.002 0.000 1.199 33 A CA 1.909 53.956 52.037 0.016 0.000 0.621 33 A CB -2.001 16.998 19.000 -0.001 0.000 0.835 33 A HN 0.323 nan 8.150 nan 0.000 0.445 34 P HA -0.118 nan 4.420 nan 0.000 0.220 34 P C 0.404 177.669 177.300 -0.057 0.000 1.148 34 P CA 1.065 64.144 63.100 -0.034 0.000 0.803 34 P CB -0.062 31.620 31.700 -0.031 0.000 0.782 35 K N -0.849 119.491 120.400 -0.099 0.000 2.458 35 K HA 0.238 4.559 4.320 0.001 0.000 0.194 35 K C 1.411 178.007 176.600 -0.005 0.000 1.024 35 K CA 0.399 56.634 56.287 -0.087 0.000 1.108 35 K CB -0.898 31.440 32.500 -0.269 0.000 0.846 35 K HN 0.249 nan 8.250 nan 0.000 0.518 36 G N 1.387 110.199 108.800 0.019 0.000 2.143 36 G HA2 -0.273 3.688 3.960 0.001 0.000 0.248 36 G HA3 -0.273 3.688 3.960 0.001 0.000 0.248 36 G C -0.158 174.714 174.900 -0.048 0.000 0.991 36 G CA -0.357 44.724 45.100 -0.032 0.000 0.689 36 G HN 0.211 nan 8.290 nan 0.000 0.522 37 F N 0.646 120.573 119.950 -0.038 0.000 2.484 37 F HA 0.474 5.001 4.527 0.001 0.000 0.360 37 F C 1.857 177.666 175.800 0.015 0.000 1.101 37 F CA 1.015 59.015 58.000 -0.001 0.000 1.251 37 F CB 1.219 40.234 39.000 0.025 0.000 1.132 37 F HN 0.001 nan 8.300 nan 0.000 0.570 38 G N 1.506 110.414 108.800 0.180 0.000 2.408 38 G HA2 0.386 4.346 3.960 0.001 0.000 0.215 38 G HA3 0.386 4.346 3.960 0.001 0.000 0.215 38 G C 0.511 175.559 174.900 0.246 0.000 1.156 38 G CA 0.691 45.901 45.100 0.183 0.000 0.793 38 G HN 1.048 nan 8.290 nan 0.000 0.535 39 G N -2.164 106.817 108.800 0.303 0.000 2.342 39 G HA2 0.437 4.397 3.960 0.001 0.000 0.297 39 G HA3 0.437 4.397 3.960 0.001 0.000 0.297 39 G C -2.171 172.892 174.900 0.271 0.000 1.313 39 G CA -0.244 45.036 45.100 0.300 0.000 0.830 39 G HN 0.499 nan 8.290 nan 0.000 0.506 40 V N 0.560 120.599 119.914 0.208 0.000 2.531 40 V HA 0.554 4.675 4.120 0.001 0.000 0.301 40 V C 0.023 176.261 176.094 0.240 0.000 1.034 40 V CA -0.638 61.738 62.300 0.127 0.000 0.865 40 V CB 1.581 33.380 31.823 -0.040 0.000 0.995 40 V HN 0.844 nan 8.190 nan 0.000 0.424 41 Q N 3.529 123.478 119.800 0.249 0.000 2.294 41 Q HA 0.554 4.894 4.340 0.001 0.000 0.257 41 Q C -0.540 175.631 176.000 0.286 0.000 0.955 41 Q CA -0.428 55.533 55.803 0.263 0.000 0.936 41 Q CB 1.661 30.492 28.738 0.156 0.000 1.188 41 Q HN 0.805 nan 8.270 nan 0.000 0.420 42 V N 1.328 121.402 119.914 0.266 0.000 2.837 42 V HA 0.551 4.672 4.120 0.001 0.000 0.310 42 V C 0.158 176.516 176.094 0.440 0.000 1.059 42 V CA -0.830 61.700 62.300 0.384 0.000 1.004 42 V CB 1.639 33.666 31.823 0.340 0.000 1.045 42 V HN 0.766 nan 8.190 nan 0.000 0.465 43 S N 3.150 119.166 115.700 0.527 0.000 2.589 43 S HA 0.310 4.780 4.470 0.001 0.000 0.265 43 S C -2.352 172.465 174.600 0.361 0.000 1.342 43 S CA -0.302 58.152 58.200 0.423 0.000 1.005 43 S CB 0.123 63.513 63.200 0.315 0.000 0.909 43 S HN 0.847 nan 8.310 nan 0.000 0.555 44 P HA 0.068 nan 4.420 nan 0.000 0.260 44 P C -1.905 175.530 177.300 0.224 0.000 1.185 44 P CA -0.755 62.423 63.100 0.130 0.000 0.763 44 P CB 0.063 31.712 31.700 -0.085 0.000 0.776 45 P HA -0.040 nan 4.420 nan 0.000 0.255 45 P C -0.239 177.127 177.300 0.111 0.000 1.248 45 P CA 0.554 63.813 63.100 0.264 0.000 0.807 45 P CB 0.218 31.802 31.700 -0.192 0.000 1.150 46 N N 0.437 119.182 118.700 0.074 0.000 2.492 46 N HA 0.066 4.806 4.740 0.001 0.000 0.289 46 N C -0.261 175.204 175.510 -0.074 0.000 1.133 46 N CA -0.509 52.516 53.050 -0.041 0.000 0.961 46 N CB 1.456 39.816 38.487 -0.211 0.000 1.186 46 N HN -0.064 nan 8.380 nan 0.000 0.493 47 E N 0.554 120.692 120.200 -0.104 0.000 2.529 47 E HA -0.104 4.247 4.350 0.001 0.000 0.259 47 E C -0.369 176.130 176.600 -0.169 0.000 0.966 47 E CA 0.101 56.431 56.400 -0.116 0.000 0.937 47 E CB 0.282 29.913 29.700 -0.113 0.000 0.923 47 E HN 0.732 nan 8.360 nan 0.000 0.468 48 N N 1.893 120.500 118.700 -0.154 0.000 2.577 48 N HA 0.254 4.994 4.740 0.001 0.000 0.285 48 N C -0.931 174.456 175.510 -0.205 0.000 1.309 48 N CA -0.773 52.171 53.050 -0.176 0.000 0.798 48 N CB 0.973 39.383 38.487 -0.127 0.000 1.463 48 N HN 0.177 nan 8.380 nan 0.000 0.518 49 V N 0.350 120.143 119.914 -0.202 0.000 2.572 49 V HA 0.315 4.436 4.120 0.001 0.000 0.291 49 V C 0.709 176.737 176.094 -0.109 0.000 1.039 49 V CA -0.570 61.630 62.300 -0.166 0.000 1.055 49 V CB 0.438 32.230 31.823 -0.053 0.000 0.969 49 V HN 0.825 nan 8.190 nan 0.000 0.482 50 A N 7.129 129.906 122.820 -0.070 0.000 2.310 50 A HA 0.622 4.943 4.320 0.001 0.000 0.300 50 A C -0.242 177.206 177.584 -0.226 0.000 1.269 50 A CA -0.318 51.604 52.037 -0.192 0.000 0.909 50 A CB -0.217 18.720 19.000 -0.105 0.000 1.144 50 A HN 0.773 nan 8.150 nan 0.000 0.540 51 I N 2.757 123.109 120.570 -0.363 0.000 2.321 51 I HA 0.245 4.415 4.170 0.001 0.000 0.291 51 I C 0.275 176.116 176.117 -0.460 0.000 0.998 51 I CA -0.314 60.823 61.300 -0.271 0.000 1.227 51 I CB 1.282 39.137 38.000 -0.242 0.000 1.368 51 I HN 0.841 nan 8.210 nan 0.000 0.466 52 H N 2.898 121.897 119.070 -0.118 0.000 2.622 52 H HA 0.188 4.745 4.556 0.001 0.000 0.269 52 H C 0.030 175.341 175.328 -0.029 0.000 0.977 52 H CA 0.024 56.023 56.048 -0.083 0.000 1.179 52 H CB 0.276 30.037 29.762 -0.001 0.000 1.458 52 H HN 0.385 nan 8.280 nan 0.000 0.531 53 N N 1.669 120.368 118.700 -0.002 0.000 2.549 53 N HA 0.144 4.885 4.740 0.001 0.000 0.281 53 N C -2.742 172.682 175.510 -0.144 0.000 1.084 53 N CA -1.848 51.162 53.050 -0.067 0.000 0.862 53 N CB 1.531 40.010 38.487 -0.014 0.000 1.333 53 N HN -0.049 nan 8.380 nan 0.000 0.523 54 P HA 0.186 nan 4.420 nan 0.000 0.277 54 P C -0.445 176.642 177.300 -0.355 0.000 1.276 54 P CA -0.400 62.343 63.100 -0.596 0.000 0.788 54 P CB 0.618 31.387 31.700 -1.553 0.000 1.114 55 F N 2.153 121.915 119.950 -0.313 0.000 2.490 55 F HA 0.121 4.649 4.527 0.001 0.000 0.357 55 F C 0.705 176.497 175.800 -0.014 0.000 1.166 55 F CA -0.164 57.803 58.000 -0.056 0.000 1.116 55 F CB -0.307 38.746 39.000 0.089 0.000 1.171 55 F HN 0.202 nan 8.300 nan 0.000 0.576 56 R N 3.372 123.489 120.500 -0.638 0.000 3.127 56 R HA -0.152 4.188 4.340 0.001 0.000 0.247 56 R C -2.674 173.422 176.300 -0.339 0.000 0.896 56 R CA 0.231 55.968 56.100 -0.605 0.000 0.624 56 R CB -2.454 27.374 30.300 -0.787 0.000 1.154 56 R HN 0.401 nan 8.270 nan 0.000 0.474 57 P HA -0.040 nan 4.420 nan 0.000 0.272 57 P C 1.544 178.531 177.300 -0.521 0.000 1.223 57 P CA -0.440 62.324 63.100 -0.560 0.000 0.784 57 P CB 0.226 30.925 31.700 -1.669 0.000 0.923 58 W N 3.455 124.649 121.300 -0.177 0.000 2.350 58 W HA -0.122 4.539 4.660 0.001 0.000 0.289 58 W C 1.622 178.259 176.519 0.196 0.000 1.215 58 W CA 0.809 58.187 57.345 0.055 0.000 1.236 58 W CB -1.786 27.887 29.460 0.354 0.000 1.130 58 W HN 0.462 nan 8.180 nan 0.000 0.541 59 W N 3.401 124.286 121.300 -0.692 0.000 2.825 59 W HA -0.010 4.651 4.660 0.001 0.000 0.243 59 W C 1.619 178.091 176.519 -0.078 0.000 1.293 59 W CA 0.942 57.963 57.345 -0.540 0.000 1.403 59 W CB -1.432 27.374 29.460 -1.091 0.000 1.134 59 W HN 0.222 nan 8.180 nan 0.000 0.666 60 E N 1.831 121.965 120.200 -0.110 0.000 2.265 60 E HA -0.175 4.176 4.350 0.001 0.000 0.196 60 E C 1.794 178.408 176.600 0.023 0.000 0.996 60 E CA 0.878 57.261 56.400 -0.030 0.000 0.832 60 E CB -0.545 29.020 29.700 -0.226 0.000 0.756 60 E HN 0.265 nan 8.360 nan 0.000 0.491 61 R N -0.436 120.078 120.500 0.023 0.000 2.323 61 R HA -0.007 4.334 4.340 0.001 0.000 0.198 61 R C 0.363 176.496 176.300 -0.277 0.000 0.988 61 R CA 0.583 56.605 56.100 -0.129 0.000 1.041 61 R CB 0.008 30.210 30.300 -0.164 0.000 0.926 61 R HN 0.312 nan 8.270 nan 0.000 0.476 62 Y N 0.277 120.709 120.300 0.221 0.000 2.625 62 Y HA 0.215 4.766 4.550 0.001 0.000 0.285 62 Y C 0.073 176.131 175.900 0.264 0.000 1.168 62 Y CA -0.067 58.198 58.100 0.274 0.000 1.250 62 Y CB 0.587 39.256 38.460 0.347 0.000 1.130 62 Y HN -0.106 nan 8.280 nan 0.000 0.526 63 Q N 1.159 121.080 119.800 0.201 0.000 2.932 63 Q HA 0.284 4.625 4.340 0.001 0.000 0.248 63 Q C -2.751 173.246 176.000 -0.005 0.000 0.982 63 Q CA -2.112 53.780 55.803 0.147 0.000 0.730 63 Q CB 1.517 30.336 28.738 0.135 0.000 1.249 63 Q HN 0.051 nan 8.270 nan 0.000 0.476 64 P HA -0.030 nan 4.420 nan 0.000 0.269 64 P C 0.097 177.238 177.300 -0.265 0.000 1.209 64 P CA 0.058 63.041 63.100 -0.195 0.000 0.776 64 P CB 1.260 32.814 31.700 -0.243 0.000 0.876 65 V N 0.480 120.207 119.914 -0.313 0.000 3.359 65 V HA 0.115 4.236 4.120 0.001 0.000 0.245 65 V C 0.807 176.789 176.094 -0.187 0.000 1.247 65 V CA 1.409 63.545 62.300 -0.273 0.000 1.145 65 V CB 0.529 32.045 31.823 -0.511 0.000 0.906 65 V HN 0.811 nan 8.190 nan 0.000 0.464 66 S N -2.150 113.334 115.700 -0.360 0.000 2.724 66 S HA 0.438 4.909 4.470 0.001 0.000 0.278 66 S C -0.787 173.393 174.600 -0.699 0.000 1.190 66 S CA -0.357 57.557 58.200 -0.477 0.000 0.860 66 S CB 0.836 63.915 63.200 -0.202 0.000 1.206 66 S HN -0.023 nan 8.310 nan 0.000 0.507 67 Y N 0.919 121.061 120.300 -0.263 0.000 2.555 67 Y HA 0.462 5.013 4.550 0.001 0.000 0.259 67 Y C 0.634 176.427 175.900 -0.178 0.000 1.179 67 Y CA -0.756 57.090 58.100 -0.423 0.000 1.230 67 Y CB -0.201 37.959 38.460 -0.499 0.000 1.146 67 Y HN 0.385 nan 8.280 nan 0.000 0.526 68 K N 1.225 121.617 120.400 -0.014 0.000 2.448 68 K HA 0.142 4.463 4.320 0.001 0.000 0.278 68 K C -0.161 176.462 176.600 0.038 0.000 1.009 68 K CA 0.052 56.369 56.287 0.050 0.000 0.995 68 K CB 0.584 33.103 32.500 0.032 0.000 0.917 68 K HN 0.182 nan 8.250 nan 0.000 0.481 69 L N 3.825 125.087 121.223 0.065 0.000 2.423 69 L HA 0.152 4.492 4.340 0.001 0.000 0.249 69 L C -0.315 176.614 176.870 0.099 0.000 1.276 69 L CA -0.487 54.356 54.840 0.005 0.000 1.199 69 L CB -0.054 41.915 42.059 -0.150 0.000 1.407 69 L HN 0.606 nan 8.230 nan 0.000 0.410 70 c N 2.018 120.674 118.600 0.092 0.000 3.027 70 c HA 0.605 5.176 4.570 0.001 0.000 0.350 70 c C 0.360 174.477 174.090 0.045 0.000 1.042 70 c CA -0.163 56.219 56.329 0.089 0.000 1.350 70 c CB 0.391 42.936 42.510 0.059 0.000 1.809 70 c HN 0.830 nan 8.230 nan 0.000 0.513 71 T N 1.615 116.194 114.554 0.042 0.000 2.696 71 T HA 0.500 4.851 4.350 0.001 0.000 0.291 71 T C 0.986 175.620 174.700 -0.110 0.000 1.095 71 T CA -0.649 61.429 62.100 -0.036 0.000 1.026 71 T CB 1.073 69.928 68.868 -0.021 0.000 1.390 71 T HN 0.491 nan 8.240 nan 0.000 0.513 72 R N 0.100 120.508 120.500 -0.154 0.000 2.237 72 R HA 0.031 4.371 4.340 0.001 0.000 0.219 72 R C 2.179 178.305 176.300 -0.290 0.000 1.080 72 R CA 1.029 57.020 56.100 -0.183 0.000 0.995 72 R CB -0.423 29.773 30.300 -0.172 0.000 0.875 72 R HN 0.564 nan 8.270 nan 0.000 0.462 73 S N -0.466 114.945 115.700 -0.480 0.000 2.461 73 S HA 0.096 4.566 4.470 0.001 0.000 0.228 73 S C 0.793 174.780 174.600 -1.023 0.000 1.005 73 S CA 0.742 58.371 58.200 -0.952 0.000 0.942 73 S CB 0.567 62.640 63.200 -1.879 0.000 0.776 73 S HN 0.641 nan 8.310 nan 0.000 0.514 74 G N 1.341 109.820 108.800 -0.535 0.000 2.369 74 G HA2 0.162 4.123 3.960 0.001 0.000 0.307 74 G HA3 0.162 4.123 3.960 0.001 0.000 0.307 74 G C -1.266 173.753 174.900 0.198 0.000 1.327 74 G CA -0.667 44.357 45.100 -0.128 0.000 0.963 74 G HN 0.317 nan 8.290 nan 0.000 0.590 75 N N -0.653 118.198 118.700 0.252 0.000 2.495 75 N HA 0.404 5.144 4.740 0.001 0.000 0.294 75 N C 1.118 176.816 175.510 0.313 0.000 1.276 75 N CA 0.138 53.330 53.050 0.238 0.000 0.973 75 N CB 0.785 39.364 38.487 0.152 0.000 1.143 75 N HN 0.772 nan 8.380 nan 0.000 0.589 76 E N -0.898 119.434 120.200 0.221 0.000 2.077 76 E HA -0.224 4.127 4.350 0.001 0.000 0.193 76 E C 0.443 177.180 176.600 0.228 0.000 0.989 76 E CA 1.305 57.831 56.400 0.211 0.000 0.800 76 E CB -0.125 29.684 29.700 0.181 0.000 0.746 76 E HN 0.520 nan 8.360 nan 0.000 0.452 77 D N 0.612 121.126 120.400 0.189 0.000 2.123 77 D HA -0.179 4.462 4.640 0.001 0.000 0.196 77 D C 1.778 178.179 176.300 0.169 0.000 0.992 77 D CA 1.218 55.312 54.000 0.157 0.000 0.833 77 D CB -0.175 40.701 40.800 0.126 0.000 0.954 77 D HN 0.366 nan 8.370 nan 0.000 0.455 78 E N -0.480 119.859 120.200 0.233 0.000 2.106 78 E HA -0.139 4.211 4.350 0.001 0.000 0.192 78 E C 1.931 178.683 176.600 0.254 0.000 0.984 78 E CA 0.342 56.908 56.400 0.276 0.000 0.806 78 E CB -0.164 29.756 29.700 0.367 0.000 0.750 78 E HN 0.239 nan 8.360 nan 0.000 0.458 79 F N 1.831 121.820 119.950 0.064 0.000 2.075 79 F HA -0.139 4.389 4.527 0.001 0.000 0.297 79 F C 2.280 177.922 175.800 -0.264 0.000 1.113 79 F CA 1.485 59.227 58.000 -0.430 0.000 1.218 79 F CB 0.044 38.743 39.000 -0.501 0.000 0.984 79 F HN -0.221 nan 8.300 nan 0.000 0.472 80 R N 0.277 120.793 120.500 0.026 0.000 2.091 80 R HA -0.240 4.100 4.340 0.001 0.000 0.238 80 R C 2.314 178.560 176.300 -0.091 0.000 1.136 80 R CA 1.583 57.668 56.100 -0.025 0.000 0.959 80 R CB -0.949 29.416 30.300 0.108 0.000 0.856 80 R HN 0.443 nan 8.270 nan 0.000 0.437 81 N N 0.961 119.641 118.700 -0.034 0.000 2.166 81 N HA -0.215 4.526 4.740 0.001 0.000 0.186 81 N C 1.817 177.270 175.510 -0.095 0.000 1.019 81 N CA 1.417 54.454 53.050 -0.022 0.000 0.856 81 N CB 0.004 38.510 38.487 0.033 0.000 0.993 81 N HN 0.250 nan 8.380 nan 0.000 0.426 82 M N 0.664 120.159 119.600 -0.175 0.000 2.099 82 M HA -0.123 4.358 4.480 0.001 0.000 0.262 82 M C 1.938 178.017 176.300 -0.367 0.000 1.067 82 M CA 1.302 56.459 55.300 -0.238 0.000 1.124 82 M CB -0.077 32.355 32.600 -0.280 0.000 1.353 82 M HN -0.048 nan 8.290 nan 0.000 0.410 83 V N 0.554 120.140 119.914 -0.547 0.000 2.332 83 V HA -0.269 3.852 4.120 0.001 0.000 0.248 83 V C 2.345 178.147 176.094 -0.487 0.000 1.055 83 V CA 2.378 64.337 62.300 -0.568 0.000 1.038 83 V CB -1.302 30.148 31.823 -0.622 0.000 0.651 83 V HN 0.584 nan 8.190 nan 0.000 0.450 84 T N -0.394 113.987 114.554 -0.287 0.000 2.708 84 T HA -0.205 4.146 4.350 0.001 0.000 0.266 84 T C 2.092 176.696 174.700 -0.161 0.000 1.037 84 T CA 1.680 63.698 62.100 -0.136 0.000 1.146 84 T CB -0.240 68.703 68.868 0.125 0.000 0.865 84 T HN 0.413 nan 8.240 nan 0.000 0.435 85 R N -0.067 120.354 120.500 -0.131 0.000 2.092 85 R HA -0.016 4.325 4.340 0.001 0.000 0.231 85 R C 2.748 178.955 176.300 -0.155 0.000 1.119 85 R CA 1.215 57.258 56.100 -0.095 0.000 0.970 85 R CB -0.599 29.665 30.300 -0.060 0.000 0.864 85 R HN 0.382 nan 8.270 nan 0.000 0.440 86 c N 0.486 118.942 118.600 -0.239 0.000 2.476 86 c HA 0.017 4.588 4.570 0.001 0.000 0.278 86 c C 2.278 176.161 174.090 -0.345 0.000 1.274 86 c CA 0.322 56.500 56.329 -0.252 0.000 1.713 86 c CB -0.876 41.472 42.510 -0.271 0.000 2.039 86 c HN 0.509 nan 8.230 nan 0.000 0.484 87 N N 1.726 120.075 118.700 -0.586 0.000 2.166 87 N HA -0.100 4.641 4.740 0.001 0.000 0.186 87 N C 1.285 176.468 175.510 -0.546 0.000 1.019 87 N CA 1.147 53.665 53.050 -0.887 0.000 0.856 87 N CB -0.640 36.607 38.487 -2.066 0.000 0.993 87 N HN 0.508 nan 8.380 nan 0.000 0.426 88 N N 0.432 118.972 118.700 -0.265 0.000 2.443 88 N HA -0.084 4.657 4.740 0.001 0.000 0.184 88 N C 1.310 176.804 175.510 -0.027 0.000 1.037 88 N CA 0.533 53.594 53.050 0.018 0.000 0.896 88 N CB 0.091 38.638 38.487 0.100 0.000 0.959 88 N HN 0.270 nan 8.380 nan 0.000 0.442 89 V N -4.544 115.318 119.914 -0.087 0.000 3.319 89 V HA 0.554 4.675 4.120 0.001 0.000 0.317 89 V C 1.028 177.079 176.094 -0.072 0.000 1.411 89 V CA 0.060 62.325 62.300 -0.057 0.000 1.112 89 V CB -0.054 31.744 31.823 -0.042 0.000 1.031 89 V HN 0.140 nan 8.190 nan 0.000 0.448 90 G N 0.309 109.038 108.800 -0.118 0.000 2.160 90 G HA2 -0.175 3.785 3.960 0.001 0.000 0.244 90 G HA3 -0.175 3.785 3.960 0.001 0.000 0.244 90 G C -0.125 174.722 174.900 -0.089 0.000 1.022 90 G CA 0.175 45.210 45.100 -0.108 0.000 0.741 90 G HN 0.983 nan 8.290 nan 0.000 0.508 91 V N 1.403 121.241 119.914 -0.126 0.000 2.444 91 V HA 0.629 4.749 4.120 0.001 0.000 0.294 91 V C 0.380 176.380 176.094 -0.157 0.000 1.022 91 V CA -1.351 60.901 62.300 -0.081 0.000 0.850 91 V CB 1.624 33.413 31.823 -0.057 0.000 0.992 91 V HN 0.334 nan 8.190 nan 0.000 0.426 92 R N 3.878 124.312 120.500 -0.109 0.000 2.528 92 R HA 0.576 4.916 4.340 0.001 0.000 0.271 92 R C -0.639 175.437 176.300 -0.374 0.000 1.056 92 R CA -0.773 55.170 56.100 -0.261 0.000 1.117 92 R CB 1.079 31.216 30.300 -0.272 0.000 1.085 92 R HN 0.437 nan 8.270 nan 0.000 0.530 93 I N 2.657 122.892 120.570 -0.558 0.000 2.406 93 I HA 0.286 4.456 4.170 0.001 0.000 0.290 93 I C -0.668 175.023 176.117 -0.710 0.000 0.999 93 I CA -0.875 60.132 61.300 -0.490 0.000 1.124 93 I CB 1.096 38.824 38.000 -0.452 0.000 1.289 93 I HN 0.411 nan 8.210 nan 0.000 0.441 94 Y N 4.782 125.033 120.300 -0.083 0.000 2.341 94 Y HA 0.457 5.008 4.550 0.001 0.000 0.338 94 Y C 0.239 176.082 175.900 -0.096 0.000 0.965 94 Y CA -0.913 57.120 58.100 -0.112 0.000 1.108 94 Y CB 1.861 40.370 38.460 0.081 0.000 1.180 94 Y HN 0.183 nan 8.280 nan 0.000 0.458 95 V N 3.298 123.164 119.914 -0.080 0.000 2.465 95 V HA 0.085 4.206 4.120 0.001 0.000 0.279 95 V C -0.092 176.090 176.094 0.146 0.000 1.045 95 V CA -0.737 61.602 62.300 0.066 0.000 0.938 95 V CB 1.373 33.245 31.823 0.082 0.000 0.986 95 V HN 0.673 nan 8.190 nan 0.000 0.467 96 D N 4.494 124.992 120.400 0.163 0.000 2.348 96 D HA 0.259 4.899 4.640 0.001 0.000 0.259 96 D C 0.137 176.556 176.300 0.198 0.000 1.296 96 D CA 0.022 54.120 54.000 0.162 0.000 0.931 96 D CB 1.059 41.985 40.800 0.211 0.000 1.067 96 D HN 0.667 nan 8.370 nan 0.000 0.503 97 A N 4.261 127.184 122.820 0.172 0.000 2.316 97 A HA 0.382 4.702 4.320 0.001 0.000 0.311 97 A C -0.105 177.551 177.584 0.120 0.000 1.339 97 A CA -0.663 51.467 52.037 0.154 0.000 0.960 97 A CB 0.588 19.583 19.000 -0.009 0.000 1.152 97 A HN 0.363 nan 8.150 nan 0.000 0.547 98 V N 5.417 125.414 119.914 0.138 0.000 2.304 98 V HA 0.210 4.331 4.120 0.001 0.000 0.262 98 V C 0.811 176.881 176.094 -0.040 0.000 1.061 98 V CA 0.305 62.628 62.300 0.038 0.000 0.872 98 V CB -0.266 31.581 31.823 0.041 0.000 1.077 98 V HN 0.878 nan 8.190 nan 0.000 0.480 99 I N 0.814 121.335 120.570 -0.081 0.000 4.338 99 I HA 0.356 4.527 4.170 0.001 0.000 0.329 99 I C 1.439 177.505 176.117 -0.086 0.000 1.378 99 I CA 0.168 61.438 61.300 -0.050 0.000 1.170 99 I CB 0.256 38.229 38.000 -0.044 0.000 1.206 99 I HN 0.465 nan 8.210 nan 0.000 0.432 100 N N 1.708 120.325 118.700 -0.138 0.000 2.409 100 N HA -0.061 4.679 4.740 0.001 0.000 0.179 100 N C 0.435 175.972 175.510 0.044 0.000 1.032 100 N CA 0.997 54.051 53.050 0.006 0.000 0.898 100 N CB 0.162 38.768 38.487 0.197 0.000 0.971 100 N HN 0.686 nan 8.380 nan 0.000 0.441 101 H N -3.594 115.493 119.070 0.029 0.000 2.981 101 H HA 0.263 4.820 4.556 0.001 0.000 0.327 101 H C -0.393 174.930 175.328 -0.009 0.000 1.342 101 H CA -0.902 55.160 56.048 0.023 0.000 1.123 101 H CB 0.526 30.306 29.762 0.030 0.000 1.851 101 H HN -0.197 nan 8.280 nan 0.000 0.531 102 M N 0.842 120.511 119.600 0.116 0.000 2.318 102 M HA 0.287 4.768 4.480 0.001 0.000 0.214 102 M C 1.158 177.520 176.300 0.102 0.000 0.679 102 M CA -0.228 55.018 55.300 -0.090 0.000 1.859 102 M CB -0.263 31.995 32.600 -0.569 0.000 1.117 102 M HN 0.839 nan 8.290 nan 0.000 0.903 103 C N -0.046 119.311 119.300 0.095 0.000 2.365 103 C HA 0.816 5.276 4.460 0.001 0.000 0.374 103 C C 0.981 176.057 174.990 0.144 0.000 1.318 103 C CA -1.004 58.112 59.018 0.164 0.000 2.239 103 C CB -0.372 27.489 27.740 0.201 0.000 2.144 103 C HN 0.818 nan 8.230 nan 0.000 0.581 104 G N 1.592 110.458 108.800 0.110 0.000 2.380 104 G HA2 0.156 4.116 3.960 0.001 0.000 0.242 104 G HA3 0.156 4.116 3.960 0.001 0.000 0.242 104 G C 0.922 175.861 174.900 0.064 0.000 1.298 104 G CA 0.237 45.368 45.100 0.052 0.000 0.878 104 G HN 1.047 nan 8.290 nan 0.000 0.542 105 N N 1.527 120.236 118.700 0.015 0.000 2.453 105 N HA -0.084 4.657 4.740 0.001 0.000 0.183 105 N C 1.611 177.114 175.510 -0.011 0.000 1.041 105 N CA 0.983 54.030 53.050 -0.005 0.000 0.900 105 N CB 0.101 38.566 38.487 -0.037 0.000 0.961 105 N HN 0.419 nan 8.380 nan 0.000 0.443 106 A N 0.641 123.459 122.820 -0.004 0.000 2.308 106 A HA 0.285 4.606 4.320 0.001 0.000 0.217 106 A C 0.744 178.328 177.584 -0.001 0.000 1.216 106 A CA -0.340 51.690 52.037 -0.013 0.000 0.864 106 A CB 0.131 19.120 19.000 -0.018 0.000 0.902 106 A HN 0.097 nan 8.150 nan 0.000 0.499 107 V N 1.900 121.835 119.914 0.035 0.000 2.673 107 V HA 0.060 4.180 4.120 0.001 0.000 0.303 107 V C 0.768 176.847 176.094 -0.025 0.000 1.046 107 V CA -0.011 62.325 62.300 0.060 0.000 1.126 107 V CB 0.874 32.806 31.823 0.181 0.000 0.934 107 V HN 0.434 nan 8.190 nan 0.000 0.487 108 S N 3.559 119.225 115.700 -0.057 0.000 2.568 108 S HA 0.419 4.890 4.470 0.001 0.000 0.282 108 S C 0.529 174.924 174.600 -0.341 0.000 1.338 108 S CA -0.141 57.972 58.200 -0.145 0.000 1.045 108 S CB 0.888 64.029 63.200 -0.099 0.000 0.873 108 S HN 1.083 nan 8.310 nan 0.000 0.516 109 A N 2.031 124.617 122.820 -0.390 0.000 2.366 109 A HA 0.720 5.040 4.320 0.001 0.000 0.249 109 A C 0.969 178.205 177.584 -0.579 0.000 1.084 109 A CA 0.404 52.051 52.037 -0.651 0.000 0.794 109 A CB -0.310 18.442 19.000 -0.413 0.000 1.034 109 A HN 1.378 nan 8.150 nan 0.000 0.491 110 G N -0.896 107.404 108.800 -0.833 0.000 2.334 110 G HA2 0.391 4.352 3.960 0.001 0.000 0.249 110 G HA3 0.391 4.352 3.960 0.001 0.000 0.249 110 G C 0.030 174.757 174.900 -0.288 0.000 1.327 110 G CA 0.579 45.472 45.100 -0.344 0.000 0.979 110 G HN 1.758 nan 8.290 nan 0.000 0.471 111 T N -2.352 112.213 114.554 0.018 0.000 3.331 111 T HA 0.528 4.879 4.350 0.001 0.000 0.282 111 T C 0.734 175.557 174.700 0.206 0.000 1.010 111 T CA 0.956 63.158 62.100 0.169 0.000 0.928 111 T CB 0.664 69.631 68.868 0.164 0.000 1.154 111 T HN 1.182 nan 8.240 nan 0.000 0.516 112 S N 2.823 118.670 115.700 0.244 0.000 4.139 112 S HA 0.483 4.954 4.470 0.001 0.000 0.215 112 S C 0.157 174.933 174.600 0.294 0.000 1.390 112 S CA -0.479 57.876 58.200 0.257 0.000 0.885 112 S CB -1.026 62.314 63.200 0.233 0.000 1.560 112 S HN 0.790 nan 8.310 nan 0.000 0.449 113 S N 1.164 116.974 115.700 0.184 0.000 2.618 113 S HA 0.400 4.870 4.470 0.001 0.000 0.277 113 S C 0.935 175.543 174.600 0.013 0.000 1.138 113 S CA -0.326 57.897 58.200 0.037 0.000 0.844 113 S CB 1.024 64.216 63.200 -0.014 0.000 1.127 113 S HN 0.432 nan 8.310 nan 0.000 0.474 114 T N -3.090 111.438 114.554 -0.043 0.000 3.035 114 T HA -0.037 4.314 4.350 0.001 0.000 0.268 114 T C 1.143 175.840 174.700 -0.005 0.000 1.109 114 T CA 0.964 63.044 62.100 -0.034 0.000 1.119 114 T CB -0.577 68.252 68.868 -0.064 0.000 0.900 114 T HN 0.630 nan 8.240 nan 0.000 0.503 115 c N 0.944 119.547 118.600 0.005 0.000 3.243 115 c HA 0.671 5.242 4.570 0.001 0.000 0.286 115 c C 2.037 176.156 174.090 0.049 0.000 1.373 115 c CA -0.161 56.185 56.329 0.027 0.000 1.749 115 c CB -1.171 41.355 42.510 0.026 0.000 2.313 115 c HN 0.887 nan 8.230 nan 0.000 0.644 116 G N 1.647 110.485 108.800 0.063 0.000 2.148 116 G HA2 -0.225 3.736 3.960 0.001 0.000 0.254 116 G HA3 -0.225 3.736 3.960 0.001 0.000 0.254 116 G C 0.202 175.178 174.900 0.127 0.000 0.981 116 G CA 0.616 45.773 45.100 0.094 0.000 0.670 116 G HN 0.579 nan 8.290 nan 0.000 0.528 117 S N -0.420 115.353 115.700 0.122 0.000 2.562 117 S HA 0.418 4.889 4.470 0.001 0.000 0.281 117 S C 0.090 174.855 174.600 0.275 0.000 1.333 117 S CA -0.352 57.946 58.200 0.163 0.000 1.052 117 S CB 0.868 64.135 63.200 0.111 0.000 0.884 117 S HN 0.550 nan 8.310 nan 0.000 0.506 118 Y N 3.743 124.137 120.300 0.156 0.000 2.336 118 Y HA 0.511 5.062 4.550 0.001 0.000 0.331 118 Y C -0.424 175.617 175.900 0.235 0.000 1.211 118 Y CA -0.630 57.555 58.100 0.143 0.000 1.346 118 Y CB 0.333 38.812 38.460 0.032 0.000 1.271 118 Y HN 0.574 nan 8.280 nan 0.000 0.538 119 F N 3.015 122.343 119.950 -1.036 0.000 2.678 119 F HA 0.428 4.956 4.527 0.001 0.000 0.308 119 F C -2.007 173.132 175.800 -1.102 0.000 1.118 119 F CA -1.517 55.947 58.000 -0.892 0.000 0.959 119 F CB 1.198 39.863 39.000 -0.558 0.000 1.305 119 F HN 0.405 nan 8.300 nan 0.000 0.443 120 N N 2.944 121.095 118.700 -0.915 0.000 2.648 120 N HA 0.431 5.171 4.740 0.001 0.000 0.261 120 N C -2.560 172.654 175.510 -0.494 0.000 1.138 120 N CA -2.290 50.365 53.050 -0.657 0.000 0.804 120 N CB 2.003 40.304 38.487 -0.309 0.000 1.237 120 N HN 0.276 nan 8.380 nan 0.000 0.532 121 P HA -0.033 nan 4.420 nan 0.000 0.215 121 P C 1.311 178.526 177.300 -0.141 0.000 1.153 121 P CA 1.208 64.221 63.100 -0.144 0.000 0.853 121 P CB 0.203 31.913 31.700 0.015 0.000 0.788 122 G N -0.107 108.608 108.800 -0.142 0.000 2.440 122 G HA2 -0.254 3.706 3.960 0.001 0.000 0.218 122 G HA3 -0.254 3.706 3.960 0.001 0.000 0.218 122 G C 1.481 176.323 174.900 -0.096 0.000 1.154 122 G CA 1.369 46.406 45.100 -0.105 0.000 0.767 122 G HN 0.446 nan 8.290 nan 0.000 0.552 123 S N -1.282 114.358 115.700 -0.100 0.000 2.577 123 S HA 0.313 4.784 4.470 0.001 0.000 0.219 123 S C 1.093 175.670 174.600 -0.039 0.000 0.962 123 S CA 0.273 58.440 58.200 -0.055 0.000 0.921 123 S CB 0.258 63.444 63.200 -0.023 0.000 0.789 123 S HN 0.297 nan 8.310 nan 0.000 0.497 124 R N 0.328 120.767 120.500 -0.101 0.000 3.531 124 R HA -0.151 4.189 4.340 0.001 0.000 0.280 124 R C -1.439 174.962 176.300 0.169 0.000 1.130 124 R CA 0.934 56.987 56.100 -0.079 0.000 0.757 124 R CB -2.403 27.822 30.300 -0.125 0.000 1.218 124 R HN 0.599 nan 8.270 nan 0.000 0.454 125 D N -0.595 119.774 120.400 -0.051 0.000 2.349 125 D HA 0.349 4.990 4.640 0.001 0.000 0.232 125 D C -0.827 175.347 176.300 -0.211 0.000 1.071 125 D CA -0.217 53.811 54.000 0.047 0.000 0.832 125 D CB 0.480 41.310 40.800 0.051 0.000 1.086 125 D HN 0.060 nan 8.370 nan 0.000 0.504 126 F N 4.856 124.989 119.950 0.305 0.000 2.550 126 F HA 0.282 4.809 4.527 0.001 0.000 0.348 126 F C -1.550 174.369 175.800 0.198 0.000 1.219 126 F CA -1.575 56.582 58.000 0.262 0.000 1.203 126 F CB 1.704 40.889 39.000 0.308 0.000 1.436 126 F HN 0.300 nan 8.300 nan 0.000 0.541 127 P HA -0.119 nan 4.420 nan 0.000 0.226 127 P C 1.286 178.678 177.300 0.154 0.000 1.153 127 P CA 0.923 64.151 63.100 0.212 0.000 0.777 127 P CB 0.338 32.157 31.700 0.198 0.000 0.794 128 A N -0.335 122.575 122.820 0.150 0.000 2.168 128 A HA 0.025 4.346 4.320 0.001 0.000 0.215 128 A C 2.200 179.789 177.584 0.008 0.000 1.152 128 A CA 0.812 52.895 52.037 0.078 0.000 0.716 128 A CB -1.127 17.914 19.000 0.068 0.000 0.794 128 A HN 0.066 nan 8.150 nan 0.000 0.465 129 V N 0.656 120.552 119.914 -0.029 0.000 2.283 129 V HA 0.017 4.138 4.120 0.001 0.000 0.239 129 V C -1.328 174.713 176.094 -0.088 0.000 1.035 129 V CA 1.415 63.603 62.300 -0.187 0.000 1.018 129 V CB -0.967 30.489 31.823 -0.611 0.000 0.658 129 V HN 0.482 nan 8.190 nan 0.000 0.459 130 P HA 0.383 nan 4.420 nan 0.000 0.287 130 P C -1.926 175.469 177.300 0.157 0.000 1.279 130 P CA -0.216 62.937 63.100 0.088 0.000 0.867 130 P CB 1.689 33.486 31.700 0.162 0.000 1.127 131 Y N -0.535 119.979 120.300 0.358 0.000 2.545 131 Y HA 0.513 5.064 4.550 0.001 0.000 0.348 131 Y C 0.796 176.973 175.900 0.461 0.000 1.002 131 Y CA -0.484 57.853 58.100 0.395 0.000 1.039 131 Y CB 2.302 40.971 38.460 0.348 0.000 1.271 131 Y HN 0.520 nan 8.280 nan 0.000 0.467 132 S N -1.023 115.057 115.700 0.633 0.000 2.732 132 S HA 0.585 5.056 4.470 0.001 0.000 0.293 132 S C 0.997 175.957 174.600 0.601 0.000 1.159 132 S CA -0.316 58.209 58.200 0.541 0.000 0.847 132 S CB 1.221 64.666 63.200 0.409 0.000 1.169 132 S HN 0.868 nan 8.310 nan 0.000 0.501 133 G N 0.133 109.196 108.800 0.438 0.000 2.547 133 G HA2 -0.219 3.741 3.960 0.001 0.000 0.221 133 G HA3 -0.219 3.741 3.960 0.001 0.000 0.221 133 G C 0.791 175.881 174.900 0.316 0.000 1.140 133 G CA 1.011 46.297 45.100 0.311 0.000 0.760 133 G HN 0.780 nan 8.290 nan 0.000 0.583 134 W N 1.025 122.446 121.300 0.201 0.000 2.480 134 W HA 0.102 4.762 4.660 -0.000 0.000 0.257 134 W C 1.284 177.868 176.519 0.109 0.000 1.235 134 W CA 0.774 58.197 57.345 0.130 0.000 1.218 134 W CB 0.226 29.731 29.460 0.076 0.000 1.131 134 W HN 0.156 nan 8.180 nan 0.000 0.606 135 D N -1.500 119.083 120.400 0.306 0.000 2.340 135 D HA 0.097 4.738 4.640 0.001 0.000 0.217 135 D C -0.285 175.731 176.300 -0.474 0.000 1.081 135 D CA 0.385 54.350 54.000 -0.058 0.000 0.842 135 D CB -0.132 40.582 40.800 -0.145 0.000 0.934 135 D HN 0.008 nan 8.370 nan 0.000 0.511 136 F N 0.154 120.125 119.950 0.035 0.000 2.575 136 F HA 0.324 4.852 4.527 0.001 0.000 0.330 136 F C 1.351 177.161 175.800 0.015 0.000 1.056 136 F CA -1.096 56.902 58.000 -0.003 0.000 0.964 136 F CB 0.769 39.773 39.000 0.006 0.000 1.258 136 F HN -0.377 nan 8.300 nan 0.000 0.484 137 N N 0.910 119.730 118.700 0.200 0.000 2.362 137 N HA -0.031 4.709 4.740 0.001 0.000 0.211 137 N C 0.771 176.340 175.510 0.098 0.000 1.170 137 N CA 0.325 53.449 53.050 0.125 0.000 0.828 137 N CB -0.320 38.235 38.487 0.113 0.000 1.034 137 N HN 0.563 nan 8.380 nan 0.000 0.475 138 D N 0.239 120.700 120.400 0.102 0.000 2.133 138 D HA -0.147 4.494 4.640 0.001 0.000 0.195 138 D C 1.736 178.047 176.300 0.018 0.000 0.997 138 D CA 1.249 55.275 54.000 0.043 0.000 0.840 138 D CB 0.021 40.831 40.800 0.016 0.000 0.947 138 D HN 0.368 nan 8.370 nan 0.000 0.452 139 G N 0.436 109.242 108.800 0.010 0.000 2.494 139 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 139 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 139 G C 1.590 176.499 174.900 0.015 0.000 1.140 139 G CA 0.187 45.283 45.100 -0.006 0.000 0.801 139 G HN 0.201 nan 8.290 nan 0.000 0.536 140 K N -0.421 120.002 120.400 0.038 0.000 2.116 140 K HA 0.018 4.339 4.320 0.001 0.000 0.203 140 K C 0.967 177.600 176.600 0.054 0.000 1.052 140 K CA 0.008 56.326 56.287 0.052 0.000 0.952 140 K CB -0.221 32.325 32.500 0.077 0.000 0.729 140 K HN 0.259 nan 8.250 nan 0.000 0.446 141 c N 2.594 121.224 118.600 0.049 0.000 2.642 141 c HA 0.114 4.685 4.570 0.001 0.000 0.420 141 c C 1.042 175.146 174.090 0.023 0.000 1.349 141 c CA -0.245 56.107 56.329 0.039 0.000 1.821 141 c CB 0.071 42.597 42.510 0.028 0.000 2.637 141 c HN 0.367 nan 8.230 nan 0.000 0.605 142 K N 2.996 123.408 120.400 0.021 0.000 2.358 142 K HA 0.112 4.432 4.320 0.001 0.000 0.200 142 K C 0.964 177.566 176.600 0.004 0.000 1.030 142 K CA 0.205 56.500 56.287 0.013 0.000 1.097 142 K CB -0.272 32.239 32.500 0.018 0.000 0.862 142 K HN 0.914 nan 8.250 nan 0.000 0.534 143 T N -2.345 112.208 114.554 -0.002 0.000 2.899 143 T HA 0.263 4.613 4.350 0.001 0.000 0.295 143 T C 1.574 176.269 174.700 -0.008 0.000 1.033 143 T CA -0.045 62.050 62.100 -0.008 0.000 1.084 143 T CB 1.614 70.472 68.868 -0.016 0.000 0.979 143 T HN 0.148 nan 8.240 nan 0.000 0.532 144 G N 0.912 109.707 108.800 -0.008 0.000 2.442 144 G HA2 -0.211 3.750 3.960 0.001 0.000 0.219 144 G HA3 -0.211 3.750 3.960 0.001 0.000 0.219 144 G C 1.691 176.583 174.900 -0.013 0.000 1.141 144 G CA 0.878 45.973 45.100 -0.009 0.000 0.763 144 G HN 0.977 nan 8.290 nan 0.000 0.554 145 S N -1.061 114.630 115.700 -0.015 0.000 2.503 145 S HA 0.366 4.837 4.470 0.001 0.000 0.217 145 S C 1.976 176.564 174.600 -0.021 0.000 0.999 145 S CA 0.987 59.176 58.200 -0.018 0.000 0.914 145 S CB 0.109 63.298 63.200 -0.019 0.000 0.782 145 S HN 1.541 nan 8.310 nan 0.000 0.520 146 G N 0.859 109.647 108.800 -0.019 0.000 2.199 146 G HA2 -0.195 3.765 3.960 0.001 0.000 0.254 146 G HA3 -0.195 3.765 3.960 0.001 0.000 0.254 146 G C -0.343 174.543 174.900 -0.024 0.000 0.982 146 G CA 0.316 45.405 45.100 -0.018 0.000 0.632 146 G HN 0.571 nan 8.290 nan 0.000 0.529 147 D N -0.174 120.207 120.400 -0.032 0.000 2.385 147 D HA 0.580 5.221 4.640 0.001 0.000 0.254 147 D C 1.007 177.276 176.300 -0.052 0.000 1.053 147 D CA -0.663 53.310 54.000 -0.044 0.000 0.992 147 D CB 0.809 41.582 40.800 -0.045 0.000 1.145 147 D HN 0.229 nan 8.370 nan 0.000 0.523 148 I N 1.165 121.691 120.570 -0.073 0.000 2.533 148 I HA -0.005 4.165 4.170 0.001 0.000 0.284 148 I C 1.259 177.339 176.117 -0.062 0.000 1.109 148 I CA 0.533 61.766 61.300 -0.111 0.000 1.412 148 I CB 0.467 38.355 38.000 -0.187 0.000 1.396 148 I HN 0.300 nan 8.210 nan 0.000 0.543 149 E N 3.597 123.761 120.200 -0.060 0.000 2.399 149 E HA 0.068 4.419 4.350 0.001 0.000 0.205 149 E C -0.052 176.563 176.600 0.025 0.000 0.906 149 E CA 0.070 56.466 56.400 -0.006 0.000 0.998 149 E CB 0.498 30.193 29.700 -0.008 0.000 1.002 149 E HN 0.553 nan 8.360 nan 0.000 0.501 150 N N -0.443 118.243 118.700 -0.023 0.000 2.549 150 N HA 0.062 4.802 4.740 0.001 0.000 0.290 150 N C -1.015 174.481 175.510 -0.024 0.000 1.122 150 N CA -0.310 52.759 53.050 0.031 0.000 0.885 150 N CB 0.451 38.948 38.487 0.016 0.000 1.455 150 N HN -0.140 nan 8.380 nan 0.000 0.521 151 Y N 1.439 121.734 120.300 -0.009 0.000 2.632 151 Y HA 0.140 4.691 4.550 0.002 0.000 0.301 151 Y C 1.319 177.204 175.900 -0.024 0.000 1.172 151 Y CA 0.405 58.492 58.100 -0.021 0.000 1.328 151 Y CB 0.070 38.515 38.460 -0.025 0.000 1.016 151 Y HN 0.565 nan 8.280 nan 0.000 0.529 152 N N -0.077 118.675 118.700 0.087 0.000 2.461 152 N HA -0.074 4.666 4.740 0.001 0.000 0.188 152 N C -0.270 175.248 175.510 0.013 0.000 1.134 152 N CA 0.607 53.686 53.050 0.047 0.000 0.878 152 N CB 0.104 38.616 38.487 0.042 0.000 0.972 152 N HN 0.272 nan 8.380 nan 0.000 0.456 153 D N 0.093 120.482 120.400 -0.018 0.000 2.462 153 D HA 0.363 5.004 4.640 0.001 0.000 0.249 153 D C 0.747 177.006 176.300 -0.068 0.000 1.117 153 D CA -0.611 53.372 54.000 -0.027 0.000 0.900 153 D CB 0.938 41.723 40.800 -0.025 0.000 1.039 153 D HN -0.002 nan 8.370 nan 0.000 0.516 154 A N 2.830 125.618 122.820 -0.052 0.000 2.024 154 A HA -0.150 4.170 4.320 0.001 0.000 0.220 154 A C 2.009 179.484 177.584 -0.183 0.000 1.164 154 A CA 1.666 53.629 52.037 -0.124 0.000 0.643 154 A CB -0.425 18.529 19.000 -0.076 0.000 0.806 154 A HN 0.566 nan 8.150 nan 0.000 0.451 155 T N 0.300 114.847 114.554 -0.010 0.000 2.701 155 T HA -0.171 4.179 4.350 0.001 0.000 0.263 155 T C 2.160 176.870 174.700 0.017 0.000 1.040 155 T CA 1.737 63.910 62.100 0.121 0.000 1.147 155 T CB -0.283 68.719 68.868 0.223 0.000 0.865 155 T HN 0.886 nan 8.240 nan 0.000 0.426 156 Q N 0.798 120.581 119.800 -0.030 0.000 2.167 156 Q HA -0.022 4.319 4.340 0.001 0.000 0.202 156 Q C 2.134 178.058 176.000 -0.127 0.000 0.970 156 Q CA 1.127 56.897 55.803 -0.054 0.000 0.855 156 Q CB -0.668 28.034 28.738 -0.060 0.000 0.911 156 Q HN 0.303 nan 8.270 nan 0.000 0.438 157 V N 0.965 120.747 119.914 -0.219 0.000 2.568 157 V HA -0.232 3.888 4.120 0.001 0.000 0.253 157 V C 2.080 178.080 176.094 -0.156 0.000 1.072 157 V CA 2.049 64.188 62.300 -0.269 0.000 1.084 157 V CB -0.482 31.109 31.823 -0.388 0.000 0.676 157 V HN 0.290 nan 8.190 nan 0.000 0.469 158 R N -0.229 120.106 120.500 -0.275 0.000 2.128 158 R HA 0.066 4.406 4.340 0.001 0.000 0.211 158 R C 1.684 177.940 176.300 -0.074 0.000 1.067 158 R CA 0.861 56.756 56.100 -0.342 0.000 1.010 158 R CB -0.362 29.298 30.300 -1.067 0.000 0.922 158 R HN 0.442 nan 8.270 nan 0.000 0.457 159 D N -1.126 119.289 120.400 0.025 0.000 2.354 159 D HA 0.092 4.733 4.640 0.001 0.000 0.209 159 D C 0.058 176.395 176.300 0.063 0.000 1.015 159 D CA 0.294 54.362 54.000 0.113 0.000 0.867 159 D CB 0.241 41.147 40.800 0.176 0.000 0.933 159 D HN 0.075 nan 8.370 nan 0.000 0.520 160 c N 0.588 119.198 118.600 0.016 0.000 2.407 160 c HA 0.485 5.056 4.570 0.001 0.000 0.366 160 c C 0.685 174.762 174.090 -0.022 0.000 1.213 160 c CA -1.005 55.322 56.329 -0.003 0.000 2.011 160 c CB 1.333 43.825 42.510 -0.030 0.000 2.306 160 c HN 0.056 nan 8.230 nan 0.000 0.527 161 R N 1.151 121.631 120.500 -0.034 0.000 2.316 161 R HA 0.300 4.640 4.340 0.001 0.000 0.314 161 R C -0.559 175.667 176.300 -0.124 0.000 1.069 161 R CA -0.432 55.631 56.100 -0.062 0.000 0.959 161 R CB 0.204 30.475 30.300 -0.048 0.000 0.987 161 R HN 0.474 nan 8.270 nan 0.000 0.446 162 L N 3.323 124.419 121.223 -0.211 0.000 2.456 162 L HA -0.011 4.330 4.340 0.001 0.000 0.277 162 L C -0.001 176.732 176.870 -0.228 0.000 1.124 162 L CA 0.789 55.449 54.840 -0.300 0.000 0.880 162 L CB 0.524 42.245 42.059 -0.564 0.000 1.192 162 L HN 0.756 nan 8.230 nan 0.000 0.463 163 S N 3.970 119.580 115.700 -0.150 0.000 3.521 163 S HA -0.180 4.290 4.470 0.001 0.000 0.362 163 S C 1.205 175.726 174.600 -0.132 0.000 1.044 163 S CA 1.208 59.327 58.200 -0.134 0.000 1.091 163 S CB -1.929 61.173 63.200 -0.165 0.000 0.908 163 S HN 1.873 nan 8.310 nan 0.000 0.473 164 G N -0.828 107.906 108.800 -0.110 0.000 2.179 164 G HA2 -0.301 3.660 3.960 0.001 0.000 0.260 164 G HA3 -0.301 3.660 3.960 0.001 0.000 0.260 164 G C 0.011 174.864 174.900 -0.079 0.000 0.977 164 G CA 0.182 45.232 45.100 -0.083 0.000 0.641 164 G HN 0.689 nan 8.290 nan 0.000 0.533 165 L N 1.344 122.493 121.223 -0.124 0.000 2.477 165 L HA 0.304 4.644 4.340 0.001 0.000 0.272 165 L C 1.385 178.246 176.870 -0.015 0.000 1.157 165 L CA -0.569 54.205 54.840 -0.111 0.000 0.889 165 L CB 0.628 42.483 42.059 -0.340 0.000 1.158 165 L HN 0.118 nan 8.230 nan 0.000 0.473 166 L N 3.680 124.931 121.223 0.046 0.000 2.628 166 L HA -0.087 4.254 4.340 0.001 0.000 0.274 166 L C 0.219 177.251 176.870 0.269 0.000 1.209 166 L CA 0.335 55.224 54.840 0.082 0.000 0.930 166 L CB -0.059 41.956 42.059 -0.073 0.000 1.183 166 L HN 0.578 nan 8.230 nan 0.000 0.492 167 D N 3.971 124.537 120.400 0.276 0.000 2.347 167 D HA 0.339 4.980 4.640 0.001 0.000 0.235 167 D C -0.217 176.205 176.300 0.204 0.000 1.149 167 D CA -0.360 53.773 54.000 0.222 0.000 0.850 167 D CB 0.779 41.655 40.800 0.127 0.000 1.061 167 D HN 0.251 nan 8.370 nan 0.000 0.487 168 L N 2.441 123.670 121.223 0.011 0.000 2.456 168 L HA 0.260 4.601 4.340 0.001 0.000 0.272 168 L C 0.769 177.545 176.870 -0.157 0.000 1.189 168 L CA -0.585 54.066 54.840 -0.314 0.000 0.846 168 L CB 0.774 42.588 42.059 -0.409 0.000 1.111 168 L HN 0.497 nan 8.230 nan 0.000 0.475 169 A N 4.983 127.675 122.820 -0.213 0.000 3.037 169 A HA 0.290 4.610 4.320 0.001 0.000 0.272 169 A C 1.100 178.668 177.584 -0.026 0.000 1.723 169 A CA -0.363 51.642 52.037 -0.053 0.000 1.413 169 A CB -0.606 18.383 19.000 -0.018 0.000 1.112 169 A HN 0.808 nan 8.150 nan 0.000 0.606 170 L N 0.894 122.122 121.223 0.008 0.000 2.633 170 L HA -0.079 4.261 4.340 0.001 0.000 0.235 170 L C 2.230 179.130 176.870 0.050 0.000 1.163 170 L CA 0.936 55.792 54.840 0.027 0.000 0.859 170 L CB -0.359 41.734 42.059 0.057 0.000 0.973 170 L HN 0.689 nan 8.230 nan 0.000 0.451 171 G N -0.114 108.720 108.800 0.057 0.000 2.712 171 G HA2 -0.055 3.906 3.960 0.001 0.000 0.212 171 G HA3 -0.055 3.906 3.960 0.001 0.000 0.212 171 G C 0.793 175.711 174.900 0.030 0.000 1.142 171 G CA -0.130 44.990 45.100 0.033 0.000 0.789 171 G HN 0.222 nan 8.290 nan 0.000 0.535 172 K N 0.585 121.013 120.400 0.046 0.000 2.172 172 K HA 0.170 4.491 4.320 0.001 0.000 0.276 172 K C 0.186 176.828 176.600 0.070 0.000 1.013 172 K CA -0.389 55.940 56.287 0.070 0.000 0.913 172 K CB 1.958 34.525 32.500 0.110 0.000 1.055 172 K HN -0.071 nan 8.250 nan 0.000 0.461 173 D N 1.618 122.061 120.400 0.073 0.000 2.144 173 D HA -0.230 4.410 4.640 0.001 0.000 0.199 173 D C 1.516 177.865 176.300 0.082 0.000 0.984 173 D CA 1.435 55.471 54.000 0.059 0.000 0.834 173 D CB 0.054 40.886 40.800 0.054 0.000 0.955 173 D HN 0.607 nan 8.370 nan 0.000 0.465 174 Y N 0.255 120.573 120.300 0.030 0.000 2.145 174 Y HA -0.169 4.383 4.550 0.002 0.000 0.286 174 Y C 2.059 178.010 175.900 0.085 0.000 1.145 174 Y CA 1.430 59.559 58.100 0.049 0.000 1.148 174 Y CB -0.448 38.046 38.460 0.057 0.000 0.981 174 Y HN -0.083 nan 8.280 nan 0.000 0.507 175 V N 0.854 120.797 119.914 0.047 0.000 2.307 175 V HA -0.282 3.839 4.120 0.001 0.000 0.245 175 V C 2.374 178.434 176.094 -0.057 0.000 1.045 175 V CA 2.215 64.517 62.300 0.003 0.000 1.024 175 V CB -0.637 31.180 31.823 -0.010 0.000 0.651 175 V HN 0.325 nan 8.190 nan 0.000 0.449 176 R N 0.154 120.626 120.500 -0.046 0.000 2.117 176 R HA -0.157 4.184 4.340 0.001 0.000 0.243 176 R C 2.531 178.766 176.300 -0.108 0.000 1.143 176 R CA 1.818 57.880 56.100 -0.064 0.000 0.968 176 R CB -0.513 29.765 30.300 -0.037 0.000 0.863 176 R HN 0.449 nan 8.270 nan 0.000 0.444 177 S N 0.394 116.018 115.700 -0.127 0.000 2.387 177 S HA -0.036 4.435 4.470 0.001 0.000 0.226 177 S C 1.640 176.115 174.600 -0.209 0.000 1.026 177 S CA 0.871 58.982 58.200 -0.148 0.000 0.972 177 S CB 0.066 63.195 63.200 -0.118 0.000 0.814 177 S HN 0.175 nan 8.310 nan 0.000 0.477 178 K N 1.407 121.631 120.400 -0.294 0.000 2.097 178 K HA 0.134 4.455 4.320 0.001 0.000 0.205 178 K C 1.881 178.315 176.600 -0.277 0.000 1.050 178 K CA 0.820 56.933 56.287 -0.290 0.000 0.938 178 K CB -0.587 31.700 32.500 -0.355 0.000 0.718 178 K HN 0.397 nan 8.250 nan 0.000 0.442 179 I N 0.948 121.372 120.570 -0.244 0.000 2.202 179 I HA -0.234 3.937 4.170 0.001 0.000 0.242 179 I C 2.387 178.331 176.117 -0.289 0.000 1.091 179 I CA 1.092 62.195 61.300 -0.329 0.000 1.368 179 I CB -0.374 37.507 38.000 -0.199 0.000 1.058 179 I HN 0.019 nan 8.210 nan 0.000 0.410 180 A N 0.270 122.950 122.820 -0.234 0.000 1.940 180 A HA -0.285 4.036 4.320 0.001 0.000 0.219 180 A C 2.304 179.751 177.584 -0.228 0.000 1.176 180 A CA 2.016 53.913 52.037 -0.234 0.000 0.631 180 A CB -0.686 18.209 19.000 -0.175 0.000 0.814 180 A HN 0.517 nan 8.150 nan 0.000 0.446 181 E N -1.428 118.661 120.200 -0.185 0.000 2.058 181 E HA -0.268 4.083 4.350 0.001 0.000 0.194 181 E C 1.874 178.424 176.600 -0.083 0.000 0.997 181 E CA 1.696 58.016 56.400 -0.132 0.000 0.801 181 E CB -0.372 29.264 29.700 -0.106 0.000 0.746 181 E HN 0.716 nan 8.360 nan 0.000 0.450 182 Y N 0.925 121.060 120.300 -0.275 0.000 2.114 182 Y HA -0.196 4.355 4.550 0.001 0.000 0.284 182 Y C 2.078 177.874 175.900 -0.174 0.000 1.143 182 Y CA 2.049 60.002 58.100 -0.246 0.000 1.135 182 Y CB -0.448 37.647 38.460 -0.610 0.000 0.980 182 Y HN 0.037 nan 8.280 nan 0.000 0.499 183 M N 0.148 119.422 119.600 -0.543 0.000 2.213 183 M HA -0.201 4.280 4.480 0.001 0.000 0.263 183 M C 1.655 177.805 176.300 -0.250 0.000 1.062 183 M CA 1.423 56.372 55.300 -0.584 0.000 1.105 183 M CB -0.349 31.797 32.600 -0.755 0.000 1.385 183 M HN 0.243 nan 8.290 nan 0.000 0.417 184 N N -0.455 118.090 118.700 -0.258 0.000 2.270 184 N HA -0.138 4.602 4.740 0.001 0.000 0.181 184 N C 1.534 176.996 175.510 -0.079 0.000 1.016 184 N CA 1.030 53.900 53.050 -0.300 0.000 0.870 184 N CB -0.466 37.666 38.487 -0.591 0.000 0.979 184 N HN 0.565 nan 8.380 nan 0.000 0.431 185 H N 0.520 119.509 119.070 -0.135 0.000 2.321 185 H HA -0.009 4.548 4.556 0.001 0.000 0.300 185 H C 1.959 177.280 175.328 -0.011 0.000 1.087 185 H CA 1.072 57.098 56.048 -0.036 0.000 1.319 185 H CB 0.131 29.889 29.762 -0.006 0.000 1.379 185 H HN 0.074 nan 8.280 nan 0.000 0.501 186 L N 0.322 121.511 121.223 -0.057 0.000 2.027 186 L HA -0.182 4.159 4.340 0.001 0.000 0.206 186 L C 2.681 179.565 176.870 0.024 0.000 1.074 186 L CA 0.954 55.750 54.840 -0.072 0.000 0.745 186 L CB -0.315 41.671 42.059 -0.122 0.000 0.898 186 L HN 0.350 nan 8.230 nan 0.000 0.433 187 I N 0.119 120.718 120.570 0.048 0.000 2.151 187 I HA -0.343 3.828 4.170 0.001 0.000 0.243 187 I C 2.071 178.256 176.117 0.114 0.000 1.080 187 I CA 1.428 62.755 61.300 0.045 0.000 1.339 187 I CB -0.428 37.607 38.000 0.057 0.000 1.039 187 I HN 0.304 nan 8.210 nan 0.000 0.409 188 D N 0.671 121.169 120.400 0.163 0.000 2.219 188 D HA -0.104 4.537 4.640 0.001 0.000 0.205 188 D C 2.198 178.630 176.300 0.219 0.000 0.970 188 D CA 1.145 55.273 54.000 0.212 0.000 0.851 188 D CB -0.150 40.791 40.800 0.236 0.000 0.943 188 D HN 0.371 nan 8.370 nan 0.000 0.488 189 I N -0.362 120.328 120.570 0.200 0.000 2.394 189 I HA -0.097 4.073 4.170 0.001 0.000 0.251 189 I C 1.685 177.937 176.117 0.225 0.000 1.136 189 I CA 1.362 62.780 61.300 0.197 0.000 1.425 189 I CB 0.127 38.224 38.000 0.162 0.000 1.079 189 I HN 0.176 nan 8.210 nan 0.000 0.425 190 G N -0.296 108.612 108.800 0.180 0.000 2.507 190 G HA2 -0.119 3.841 3.960 0.001 0.000 0.205 190 G HA3 -0.119 3.841 3.960 0.001 0.000 0.205 190 G C 0.089 174.986 174.900 -0.005 0.000 0.996 190 G CA -0.478 44.747 45.100 0.209 0.000 0.776 190 G HN 0.015 nan 8.290 nan 0.000 0.532 191 V N 1.376 121.216 119.914 -0.122 0.000 2.763 191 V HA 0.422 4.543 4.120 0.001 0.000 0.306 191 V C 1.663 177.499 176.094 -0.431 0.000 1.059 191 V CA 1.158 63.267 62.300 -0.318 0.000 1.138 191 V CB 1.486 33.097 31.823 -0.354 0.000 0.940 191 V HN 0.766 nan 8.190 nan 0.000 0.489 192 A N 3.242 125.727 122.820 -0.559 0.000 2.238 192 A HA 0.651 4.971 4.320 0.001 0.000 0.210 192 A C 0.937 178.318 177.584 -0.338 0.000 1.179 192 A CA 0.803 52.496 52.037 -0.573 0.000 0.827 192 A CB -0.062 18.650 19.000 -0.480 0.000 0.856 192 A HN 1.370 nan 8.150 nan 0.000 0.488 193 G N -1.967 106.559 108.800 -0.457 0.000 2.317 193 G HA2 0.454 4.415 3.960 0.001 0.000 0.293 193 G HA3 0.454 4.415 3.960 0.001 0.000 0.293 193 G C -1.636 172.849 174.900 -0.691 0.000 1.287 193 G CA -0.754 44.190 45.100 -0.260 0.000 0.850 193 G HN 0.220 nan 8.290 nan 0.000 0.515 194 F N -0.174 119.736 119.950 -0.066 0.000 2.591 194 F HA 0.662 5.190 4.527 0.002 0.000 0.309 194 F C 0.273 175.664 175.800 -0.682 0.000 1.098 194 F CA -0.849 57.000 58.000 -0.252 0.000 0.937 194 F CB 2.477 41.341 39.000 -0.227 0.000 1.250 194 F HN 0.471 nan 8.300 nan 0.000 0.447 195 R N 3.835 124.003 120.500 -0.552 0.000 2.202 195 R HA 0.517 4.858 4.340 0.001 0.000 0.334 195 R C -1.103 175.031 176.300 -0.277 0.000 1.036 195 R CA -0.238 55.344 56.100 -0.864 0.000 0.878 195 R CB 0.336 30.321 30.300 -0.525 0.000 1.067 195 R HN 0.774 nan 8.270 nan 0.000 0.457 196 I N 4.585 125.015 120.570 -0.233 0.000 2.281 196 I HA 0.028 4.199 4.170 0.001 0.000 0.293 196 I C 0.230 176.338 176.117 -0.016 0.000 1.085 196 I CA -0.446 60.800 61.300 -0.090 0.000 1.257 196 I CB 0.854 38.800 38.000 -0.090 0.000 1.430 196 I HN 0.607 nan 8.210 nan 0.000 0.489 197 D N 5.875 126.310 120.400 0.058 0.000 2.424 197 D HA 0.264 4.905 4.640 0.001 0.000 0.244 197 D C 0.891 177.272 176.300 0.134 0.000 1.134 197 D CA 0.470 54.556 54.000 0.142 0.000 0.881 197 D CB 0.788 41.742 40.800 0.258 0.000 1.191 197 D HN 0.779 nan 8.370 nan 0.000 0.445 198 A N 2.784 125.698 122.820 0.158 0.000 2.791 198 A HA -0.233 4.088 4.320 0.001 0.000 0.292 198 A C 1.807 179.464 177.584 0.121 0.000 1.487 198 A CA 1.117 53.283 52.037 0.215 0.000 0.760 198 A CB -2.151 17.044 19.000 0.325 0.000 1.031 198 A HN 0.453 nan 8.150 nan 0.000 0.503 199 S N -0.625 115.058 115.700 -0.030 0.000 2.399 199 S HA -0.158 4.313 4.470 0.001 0.000 0.231 199 S C 1.826 176.258 174.600 -0.279 0.000 1.022 199 S CA 1.512 59.613 58.200 -0.164 0.000 0.983 199 S CB -0.149 62.850 63.200 -0.335 0.000 0.803 199 S HN 0.851 nan 8.310 nan 0.000 0.480 200 K N 0.741 120.936 120.400 -0.342 0.000 2.211 200 K HA -0.151 4.170 4.320 0.001 0.000 0.204 200 K C 1.076 177.460 176.600 -0.361 0.000 1.047 200 K CA 1.212 57.279 56.287 -0.367 0.000 0.935 200 K CB -0.136 32.103 32.500 -0.435 0.000 0.728 200 K HN 0.472 nan 8.250 nan 0.000 0.452 201 H N -0.476 118.562 119.070 -0.053 0.000 2.536 201 H HA 0.170 4.726 4.556 0.001 0.000 0.276 201 H C 0.033 175.303 175.328 -0.097 0.000 1.019 201 H CA 0.383 56.383 56.048 -0.079 0.000 1.159 201 H CB 0.040 29.790 29.762 -0.019 0.000 1.373 201 H HN 0.186 nan 8.280 nan 0.000 0.584 202 M N -0.379 119.218 119.600 -0.005 0.000 2.530 202 M HA 0.188 4.669 4.480 0.001 0.000 0.307 202 M C -1.041 175.259 176.300 -0.000 0.000 1.161 202 M CA -0.846 54.466 55.300 0.020 0.000 0.903 202 M CB 2.428 35.097 32.600 0.115 0.000 1.711 202 M HN -0.001 nan 8.290 nan 0.000 0.451 203 W N 2.420 123.769 121.300 0.082 0.000 2.253 203 W HA 0.218 4.879 4.660 0.001 0.000 0.322 203 W C -1.739 174.773 176.519 -0.010 0.000 1.342 203 W CA -0.911 56.444 57.345 0.016 0.000 1.218 203 W CB -0.179 29.276 29.460 -0.008 0.000 1.205 203 W HN 0.488 nan 8.180 nan 0.000 0.551 204 P HA -0.247 nan 4.420 nan 0.000 0.216 204 P C 1.729 179.055 177.300 0.043 0.000 1.154 204 P CA 2.632 65.670 63.100 -0.104 0.000 0.865 204 P CB 0.056 31.550 31.700 -0.342 0.000 0.789 205 G N -0.721 108.132 108.800 0.088 0.000 2.422 205 G HA2 -0.223 3.737 3.960 0.001 0.000 0.218 205 G HA3 -0.223 3.737 3.960 0.001 0.000 0.218 205 G C 1.215 176.156 174.900 0.068 0.000 1.140 205 G CA 0.774 45.908 45.100 0.057 0.000 0.775 205 G HN 0.192 nan 8.290 nan 0.000 0.545 206 D N 0.540 121.019 120.400 0.133 0.000 2.149 206 D HA -0.018 4.622 4.640 0.001 0.000 0.201 206 D C 2.568 178.909 176.300 0.069 0.000 0.972 206 D CA 0.272 54.336 54.000 0.105 0.000 0.835 206 D CB -0.100 40.801 40.800 0.169 0.000 0.966 206 D HN 0.356 nan 8.370 nan 0.000 0.476 207 I N 1.013 121.637 120.570 0.090 0.000 2.179 207 I HA -0.261 3.910 4.170 0.001 0.000 0.242 207 I C 2.486 178.614 176.117 0.019 0.000 1.088 207 I CA 1.057 62.389 61.300 0.054 0.000 1.357 207 I CB -0.226 37.837 38.000 0.104 0.000 1.051 207 I HN -0.041 nan 8.210 nan 0.000 0.409 208 K N 1.474 121.893 120.400 0.031 0.000 2.044 208 K HA -0.258 4.062 4.320 0.001 0.000 0.210 208 K C 2.166 178.764 176.600 -0.004 0.000 1.049 208 K CA 1.915 58.210 56.287 0.012 0.000 0.927 208 K CB -0.176 32.336 32.500 0.019 0.000 0.713 208 K HN 0.332 nan 8.250 nan 0.000 0.443 209 A N 1.101 123.920 122.820 -0.001 0.000 1.972 209 A HA -0.115 4.206 4.320 0.001 0.000 0.219 209 A C 2.083 179.649 177.584 -0.029 0.000 1.169 209 A CA 1.308 53.339 52.037 -0.011 0.000 0.635 209 A CB -0.410 18.587 19.000 -0.005 0.000 0.810 209 A HN 0.364 nan 8.150 nan 0.000 0.446 210 I N -0.472 120.074 120.570 -0.041 0.000 2.233 210 I HA -0.215 3.955 4.170 0.001 0.000 0.243 210 I C 2.228 178.286 176.117 -0.099 0.000 1.093 210 I CA 1.011 62.262 61.300 -0.081 0.000 1.380 210 I CB -0.266 37.674 38.000 -0.101 0.000 1.067 210 I HN 0.271 nan 8.210 nan 0.000 0.413 211 L N 0.207 121.380 121.223 -0.084 0.000 2.191 211 L HA -0.217 4.124 4.340 0.001 0.000 0.212 211 L C 1.886 178.724 176.870 -0.054 0.000 1.103 211 L CA 0.944 55.734 54.840 -0.085 0.000 0.769 211 L CB -0.737 41.283 42.059 -0.065 0.000 0.908 211 L HN 0.258 nan 8.230 nan 0.000 0.438 212 D N 0.562 120.940 120.400 -0.037 0.000 2.218 212 D HA -0.147 4.493 4.640 0.001 0.000 0.204 212 D C 1.866 178.156 176.300 -0.016 0.000 0.976 212 D CA 1.155 55.144 54.000 -0.018 0.000 0.853 212 D CB 0.007 40.800 40.800 -0.011 0.000 0.939 212 D HN 0.339 nan 8.370 nan 0.000 0.481 213 K N -0.207 120.171 120.400 -0.036 0.000 2.444 213 K HA 0.153 4.474 4.320 0.001 0.000 0.193 213 K C 0.546 177.125 176.600 -0.035 0.000 1.024 213 K CA -0.065 56.203 56.287 -0.031 0.000 1.077 213 K CB 0.547 33.014 32.500 -0.055 0.000 0.833 213 K HN 0.100 nan 8.250 nan 0.000 0.517 214 L N 1.278 122.472 121.223 -0.048 0.000 2.395 214 L HA 0.166 4.507 4.340 0.001 0.000 0.269 214 L C 0.634 177.546 176.870 0.070 0.000 1.133 214 L CA -0.525 54.278 54.840 -0.061 0.000 0.812 214 L CB 0.419 42.437 42.059 -0.069 0.000 1.125 214 L HN 0.192 nan 8.230 nan 0.000 0.452 215 H N 0.774 119.840 119.070 -0.007 0.000 2.745 215 H HA 0.091 4.647 4.556 0.001 0.000 0.373 215 H C -0.183 175.146 175.328 0.001 0.000 1.226 215 H CA -0.603 55.446 56.048 0.002 0.000 1.435 215 H CB 0.577 30.347 29.762 0.013 0.000 1.461 215 H HN 0.594 nan 8.280 nan 0.000 0.616 216 N N 0.259 119.040 118.700 0.136 0.000 2.399 216 N HA 0.089 4.830 4.740 0.001 0.000 0.250 216 N C -0.243 175.304 175.510 0.062 0.000 1.272 216 N CA -0.628 52.461 53.050 0.065 0.000 0.928 216 N CB 0.755 39.269 38.487 0.044 0.000 1.158 216 N HN 0.197 nan 8.380 nan 0.000 0.463 217 L N 1.112 122.325 121.223 -0.017 0.000 2.482 217 L HA -0.001 4.339 4.340 0.001 0.000 0.273 217 L C 1.092 178.046 176.870 0.140 0.000 1.228 217 L CA -0.197 54.595 54.840 -0.081 0.000 0.827 217 L CB 0.052 41.797 42.059 -0.523 0.000 1.099 217 L HN 0.627 nan 8.230 nan 0.000 0.494 218 N N 1.078 119.944 118.700 0.276 0.000 2.374 218 N HA -0.096 4.644 4.740 0.001 0.000 0.269 218 N C 0.925 176.624 175.510 0.316 0.000 1.310 218 N CA 0.288 53.532 53.050 0.324 0.000 0.877 218 N CB 0.876 39.623 38.487 0.433 0.000 1.096 218 N HN 0.655 nan 8.380 nan 0.000 0.484 219 S N 2.867 118.647 115.700 0.134 0.000 2.595 219 S HA -0.020 4.451 4.470 0.001 0.000 0.235 219 S C 1.153 175.733 174.600 -0.034 0.000 0.974 219 S CA 0.183 58.427 58.200 0.074 0.000 0.942 219 S CB 0.013 63.230 63.200 0.029 0.000 0.766 219 S HN 0.577 nan 8.310 nan 0.000 0.536 220 N N 0.301 118.903 118.700 -0.163 0.000 2.354 220 N HA 0.025 4.766 4.740 0.001 0.000 0.179 220 N C 0.689 175.932 175.510 -0.445 0.000 1.021 220 N CA 0.974 53.778 53.050 -0.410 0.000 0.887 220 N CB -0.057 37.954 38.487 -0.795 0.000 0.974 220 N HN 0.610 nan 8.380 nan 0.000 0.437 221 W N -0.316 120.899 121.300 -0.142 0.000 2.901 221 W HA 0.298 4.958 4.660 0.001 0.000 0.281 221 W C -0.131 176.025 176.519 -0.605 0.000 1.167 221 W CA -0.197 56.886 57.345 -0.437 0.000 1.506 221 W CB 0.060 29.094 29.460 -0.710 0.000 0.985 221 W HN -0.178 nan 8.180 nan 0.000 0.590 222 F N 1.078 121.134 119.950 0.177 0.000 2.508 222 F HA 0.461 4.989 4.527 0.001 0.000 0.325 222 F C -1.896 173.936 175.800 0.055 0.000 1.090 222 F CA -2.753 55.308 58.000 0.102 0.000 0.945 222 F CB 0.180 39.234 39.000 0.090 0.000 1.156 222 F HN -0.449 nan 8.300 nan 0.000 0.463 223 P HA 0.029 nan 4.420 nan 0.000 0.270 223 P C -0.605 176.763 177.300 0.113 0.000 1.223 223 P CA -0.296 62.877 63.100 0.121 0.000 0.785 223 P CB 0.539 32.298 31.700 0.097 0.000 0.923 224 E N 0.614 120.857 120.200 0.071 0.000 2.502 224 E HA 0.262 4.612 4.350 0.001 0.000 0.261 224 E C 1.415 178.047 176.600 0.053 0.000 0.974 224 E CA 1.899 58.331 56.400 0.054 0.000 0.936 224 E CB -0.549 29.171 29.700 0.033 0.000 0.926 224 E HN 0.712 nan 8.360 nan 0.000 0.459 225 G N 2.670 111.497 108.800 0.046 0.000 2.176 225 G HA2 -0.291 3.669 3.960 0.001 0.000 0.253 225 G HA3 -0.291 3.669 3.960 0.001 0.000 0.253 225 G C 0.221 175.144 174.900 0.039 0.000 0.979 225 G CA 0.242 45.365 45.100 0.039 0.000 0.641 225 G HN 0.546 nan 8.290 nan 0.000 0.530 226 S N 0.775 116.505 115.700 0.050 0.000 2.533 226 S HA 0.471 4.941 4.470 0.001 0.000 0.282 226 S C 0.399 174.987 174.600 -0.020 0.000 1.304 226 S CA 0.358 58.573 58.200 0.026 0.000 1.063 226 S CB 1.112 64.346 63.200 0.056 0.000 0.881 226 S HN 0.527 nan 8.310 nan 0.000 0.493 227 K N 3.311 123.694 120.400 -0.029 0.000 2.259 227 K HA 0.467 4.787 4.320 0.001 0.000 0.249 227 K C -2.686 173.886 176.600 -0.047 0.000 0.942 227 K CA -2.259 54.010 56.287 -0.029 0.000 0.816 227 K CB 0.892 33.385 32.500 -0.012 0.000 1.155 227 K HN 0.279 nan 8.250 nan 0.000 0.428 228 P HA -0.110 nan 4.420 nan 0.000 0.264 228 P C -0.629 176.734 177.300 0.105 0.000 1.193 228 P CA -0.052 63.049 63.100 0.003 0.000 0.763 228 P CB 0.274 32.054 31.700 0.134 0.000 0.810 229 F N 5.089 125.014 119.950 -0.041 0.000 2.538 229 F HA 0.169 4.697 4.527 0.001 0.000 0.371 229 F C -0.066 175.747 175.800 0.022 0.000 1.087 229 F CA -0.561 57.426 58.000 -0.021 0.000 1.250 229 F CB -0.065 38.950 39.000 0.024 0.000 1.110 229 F HN 0.133 nan 8.300 nan 0.000 0.570 230 I N 8.346 128.763 120.570 -0.254 0.000 2.436 230 I HA 0.214 4.384 4.170 0.001 0.000 0.289 230 I C -1.133 174.710 176.117 -0.458 0.000 1.010 230 I CA -0.792 60.327 61.300 -0.301 0.000 1.098 230 I CB 1.215 39.131 38.000 -0.139 0.000 1.266 230 I HN 0.570 nan 8.210 nan 0.000 0.434 231 Y N 3.278 123.263 120.300 -0.526 0.000 2.346 231 Y HA 0.711 5.262 4.550 0.001 0.000 0.332 231 Y C -0.722 175.077 175.900 -0.170 0.000 0.985 231 Y CA -1.106 56.759 58.100 -0.392 0.000 1.112 231 Y CB 0.986 39.132 38.460 -0.523 0.000 1.170 231 Y HN 0.497 nan 8.280 nan 0.000 0.447 232 Q N 2.713 122.523 119.800 0.017 0.000 2.257 232 Q HA 0.215 4.556 4.340 0.001 0.000 0.255 232 Q C -0.707 175.311 176.000 0.030 0.000 0.920 232 Q CA -0.822 54.967 55.803 -0.024 0.000 0.927 232 Q CB 2.119 30.835 28.738 -0.037 0.000 1.229 232 Q HN 0.746 nan 8.270 nan 0.000 0.433 233 E N 2.859 123.076 120.200 0.029 0.000 2.104 233 E HA 0.198 4.549 4.350 0.001 0.000 0.278 233 E C -1.354 175.263 176.600 0.027 0.000 1.127 233 E CA -0.177 56.304 56.400 0.134 0.000 0.897 233 E CB 0.452 30.245 29.700 0.155 0.000 1.043 233 E HN 0.311 nan 8.360 nan 0.000 0.410 234 V N 7.072 127.038 119.914 0.088 0.000 2.524 234 V HA 0.287 4.407 4.120 0.001 0.000 0.297 234 V C -0.090 176.034 176.094 0.050 0.000 1.035 234 V CA -0.685 61.577 62.300 -0.063 0.000 0.867 234 V CB 1.599 33.309 31.823 -0.188 0.000 1.004 234 V HN 0.609 nan 8.190 nan 0.000 0.426 235 I N 3.996 124.459 120.570 -0.179 0.000 2.291 235 I HA 0.384 4.554 4.170 0.001 0.000 0.292 235 I C -0.512 175.533 176.117 -0.122 0.000 1.064 235 I CA 0.210 61.314 61.300 -0.326 0.000 1.269 235 I CB 0.796 38.399 38.000 -0.661 0.000 1.418 235 I HN 0.588 nan 8.210 nan 0.000 0.485 236 D N 7.447 127.851 120.400 0.008 0.000 2.389 236 D HA 0.295 4.936 4.640 0.001 0.000 0.256 236 D C 0.127 176.455 176.300 0.046 0.000 1.239 236 D CA -0.379 53.632 54.000 0.019 0.000 0.925 236 D CB 1.069 41.897 40.800 0.047 0.000 1.145 236 D HN 0.405 nan 8.370 nan 0.000 0.542 237 L N 2.599 123.835 121.223 0.021 0.000 2.628 237 L HA 0.503 4.844 4.340 0.001 0.000 0.229 237 L C 1.207 178.104 176.870 0.044 0.000 1.137 237 L CA 0.124 54.990 54.840 0.043 0.000 0.909 237 L CB -0.462 41.616 42.059 0.032 0.000 1.137 237 L HN 0.622 nan 8.230 nan 0.000 0.470 238 G N -0.865 107.955 108.800 0.034 0.000 2.603 238 G HA2 0.163 4.123 3.960 0.001 0.000 0.686 238 G HA3 0.163 4.123 3.960 0.001 0.000 0.686 238 G C 0.452 175.363 174.900 0.018 0.000 1.286 238 G CA -0.456 44.662 45.100 0.031 0.000 0.871 238 G HN 0.432 nan 8.290 nan 0.000 0.568 239 G N -1.055 107.756 108.800 0.017 0.000 2.162 239 G HA2 -0.133 3.828 3.960 0.001 0.000 0.260 239 G HA3 -0.133 3.828 3.960 0.001 0.000 0.260 239 G C 0.207 175.117 174.900 0.017 0.000 0.976 239 G CA 1.710 46.818 45.100 0.014 0.000 0.655 239 G HN 1.201 nan 8.290 nan 0.000 0.533 240 E N -0.193 120.019 120.200 0.020 0.000 2.277 240 E HA 0.394 4.744 4.350 0.001 0.000 0.266 240 E C -1.444 175.171 176.600 0.024 0.000 0.901 240 E CA -1.748 54.670 56.400 0.030 0.000 0.782 240 E CB 2.199 31.921 29.700 0.037 0.000 1.228 240 E HN 0.045 nan 8.360 nan 0.000 0.424 241 P HA -0.072 nan 4.420 nan 0.000 0.220 241 P C 0.316 177.620 177.300 0.008 0.000 1.148 241 P CA 1.098 64.207 63.100 0.015 0.000 0.803 241 P CB 0.409 32.117 31.700 0.012 0.000 0.782 242 I N 0.672 121.247 120.570 0.009 0.000 2.342 242 I HA 0.175 4.345 4.170 0.001 0.000 0.291 242 I C 0.696 176.835 176.117 0.036 0.000 1.010 242 I CA -0.464 60.847 61.300 0.018 0.000 1.308 242 I CB 0.756 38.761 38.000 0.009 0.000 1.400 242 I HN -0.253 nan 8.210 nan 0.000 0.488 243 K N 3.891 124.315 120.400 0.040 0.000 2.328 243 K HA 0.414 4.735 4.320 0.001 0.000 0.246 243 K C 0.607 177.239 176.600 0.054 0.000 0.955 243 K CA -0.720 55.581 56.287 0.023 0.000 0.817 243 K CB 1.778 34.261 32.500 -0.029 0.000 1.208 243 K HN 0.409 nan 8.250 nan 0.000 0.432 244 S N 0.638 116.359 115.700 0.035 0.000 2.383 244 S HA -0.173 4.298 4.470 0.001 0.000 0.229 244 S C 1.757 176.213 174.600 -0.240 0.000 1.030 244 S CA 2.058 60.291 58.200 0.054 0.000 1.002 244 S CB -0.187 63.094 63.200 0.136 0.000 0.829 244 S HN 0.763 nan 8.310 nan 0.000 0.467 245 S N 2.021 117.365 115.700 -0.593 0.000 2.440 245 S HA -0.158 4.313 4.470 0.001 0.000 0.238 245 S C 1.112 175.248 174.600 -0.775 0.000 1.010 245 S CA 1.165 58.502 58.200 -1.438 0.000 0.972 245 S CB -0.517 62.231 63.200 -0.754 0.000 0.774 245 S HN 0.382 nan 8.310 nan 0.000 0.501 246 D N 0.566 120.761 120.400 -0.342 0.000 2.351 246 D HA -0.059 4.582 4.640 0.001 0.000 0.216 246 D C 0.631 176.679 176.300 -0.421 0.000 0.968 246 D CA 0.988 54.793 54.000 -0.326 0.000 0.899 246 D CB -0.281 40.303 40.800 -0.359 0.000 0.907 246 D HN 0.647 nan 8.370 nan 0.000 0.514 247 Y N -1.192 119.031 120.300 -0.127 0.000 2.467 247 Y HA 0.125 4.676 4.550 0.001 0.000 0.250 247 Y C 1.487 177.523 175.900 0.226 0.000 1.155 247 Y CA -0.464 57.663 58.100 0.046 0.000 1.249 247 Y CB 0.042 38.538 38.460 0.060 0.000 1.146 247 Y HN -0.182 nan 8.280 nan 0.000 0.524 248 F N 0.040 120.108 119.950 0.197 0.000 2.250 248 F HA -0.102 4.426 4.527 0.001 0.000 0.301 248 F C 2.321 178.272 175.800 0.252 0.000 1.077 248 F CA 1.055 59.179 58.000 0.207 0.000 1.348 248 F CB -1.289 37.790 39.000 0.132 0.000 1.040 248 F HN 0.115 nan 8.300 nan 0.000 0.509 249 G N -0.548 108.462 108.800 0.351 0.000 2.509 249 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 249 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 249 G C 1.553 176.579 174.900 0.211 0.000 1.124 249 G CA 0.617 45.875 45.100 0.263 0.000 0.776 249 G HN 0.272 nan 8.290 nan 0.000 0.547 250 N N 0.182 119.000 118.700 0.197 0.000 2.388 250 N HA 0.255 4.996 4.740 0.001 0.000 0.176 250 N C 1.105 176.601 175.510 -0.024 0.000 1.062 250 N CA 0.974 54.075 53.050 0.084 0.000 0.895 250 N CB 1.160 39.717 38.487 0.118 0.000 1.018 250 N HN 0.448 nan 8.380 nan 0.000 0.456 251 G N -0.289 108.556 108.800 0.076 0.000 2.356 251 G HA2 0.087 4.048 3.960 0.001 0.000 0.266 251 G HA3 0.087 4.048 3.960 0.001 0.000 0.266 251 G C -1.271 173.787 174.900 0.263 0.000 1.312 251 G CA -0.918 44.161 45.100 -0.035 0.000 0.922 251 G HN -0.028 nan 8.290 nan 0.000 0.480 252 R N -1.163 119.428 120.500 0.152 0.000 2.726 252 R HA 0.597 4.937 4.340 0.001 0.000 0.272 252 R C -0.561 175.843 176.300 0.173 0.000 1.097 252 R CA -0.257 55.936 56.100 0.154 0.000 1.198 252 R CB 1.056 31.392 30.300 0.060 0.000 1.114 252 R HN 0.348 nan 8.270 nan 0.000 0.550 253 V N 0.499 120.535 119.914 0.204 0.000 2.709 253 V HA 0.158 4.279 4.120 0.001 0.000 0.308 253 V C -0.027 176.181 176.094 0.190 0.000 1.062 253 V CA -1.057 61.377 62.300 0.224 0.000 0.901 253 V CB 2.049 34.074 31.823 0.336 0.000 1.003 253 V HN 0.968 nan 8.190 nan 0.000 0.425 254 T N 0.445 115.124 114.554 0.207 0.000 2.902 254 T HA 0.233 4.583 4.350 0.001 0.000 0.301 254 T C -0.084 174.724 174.700 0.181 0.000 1.012 254 T CA -0.163 62.067 62.100 0.218 0.000 1.151 254 T CB 0.774 69.802 68.868 0.267 0.000 0.946 254 T HN 0.718 nan 8.240 nan 0.000 0.542 255 E N 2.282 122.490 120.200 0.013 0.000 2.042 255 E HA 0.315 4.665 4.350 0.001 0.000 0.260 255 E C -0.358 176.077 176.600 -0.276 0.000 0.975 255 E CA -0.976 55.386 56.400 -0.064 0.000 0.799 255 E CB -0.544 29.108 29.700 -0.080 0.000 1.131 255 E HN 0.657 nan 8.360 nan 0.000 0.423 256 F N 2.460 122.344 119.950 -0.111 0.000 2.502 256 F HA 0.016 4.544 4.527 0.001 0.000 0.298 256 F C 1.676 177.353 175.800 -0.205 0.000 1.111 256 F CA 0.739 58.654 58.000 -0.142 0.000 1.445 256 F CB 0.164 39.172 39.000 0.015 0.000 1.081 256 F HN 0.387 nan 8.300 nan 0.000 0.558 257 K N -1.029 119.297 120.400 -0.122 0.000 2.211 257 K HA -0.206 4.115 4.320 0.001 0.000 0.203 257 K C 1.745 178.069 176.600 -0.460 0.000 1.050 257 K CA 1.042 57.199 56.287 -0.217 0.000 0.945 257 K CB -0.355 31.997 32.500 -0.247 0.000 0.732 257 K HN 0.268 nan 8.250 nan 0.000 0.451 258 Y N 1.236 121.041 120.300 -0.824 0.000 2.049 258 Y HA -0.214 4.336 4.550 0.001 0.000 0.277 258 Y C 2.401 178.147 175.900 -0.257 0.000 1.143 258 Y CA 2.062 59.696 58.100 -0.776 0.000 1.115 258 Y CB -0.677 37.370 38.460 -0.689 0.000 0.975 258 Y HN 0.032 nan 8.280 nan 0.000 0.487 259 G N -0.772 107.962 108.800 -0.110 0.000 2.421 259 G HA2 -0.150 3.810 3.960 0.001 0.000 0.217 259 G HA3 -0.150 3.810 3.960 0.001 0.000 0.217 259 G C 1.754 176.640 174.900 -0.023 0.000 1.143 259 G CA 0.756 45.827 45.100 -0.048 0.000 0.784 259 G HN 0.618 nan 8.290 nan 0.000 0.541 260 A N 1.016 123.831 122.820 -0.008 0.000 1.858 260 A HA -0.001 4.320 4.320 0.001 0.000 0.216 260 A C 2.387 180.015 177.584 0.074 0.000 1.190 260 A CA 1.831 53.904 52.037 0.059 0.000 0.617 260 A CB -0.276 18.777 19.000 0.088 0.000 0.827 260 A HN 0.196 nan 8.150 nan 0.000 0.443 261 K N -0.771 119.692 120.400 0.106 0.000 2.057 261 K HA -0.042 4.279 4.320 0.001 0.000 0.206 261 K C 1.894 178.496 176.600 0.002 0.000 1.050 261 K CA 0.966 57.373 56.287 0.201 0.000 0.935 261 K CB -0.800 31.981 32.500 0.469 0.000 0.715 261 K HN 0.404 nan 8.250 nan 0.000 0.439 262 L N 1.089 122.237 121.223 -0.125 0.000 2.046 262 L HA -0.080 4.261 4.340 0.001 0.000 0.208 262 L C 2.123 178.802 176.870 -0.318 0.000 1.077 262 L CA 2.083 56.657 54.840 -0.443 0.000 0.747 262 L CB -1.143 40.628 42.059 -0.479 0.000 0.896 262 L HN 0.233 nan 8.230 nan 0.000 0.432 263 G N -2.078 106.620 108.800 -0.170 0.000 2.421 263 G HA2 -0.270 3.690 3.960 0.001 0.000 0.216 263 G HA3 -0.270 3.690 3.960 0.001 0.000 0.216 263 G C 1.464 176.231 174.900 -0.221 0.000 1.171 263 G CA 1.216 46.218 45.100 -0.162 0.000 0.775 263 G HN 0.415 nan 8.290 nan 0.000 0.543 264 T N 0.808 115.301 114.554 -0.103 0.000 2.684 264 T HA -0.132 4.218 4.350 0.001 0.000 0.267 264 T C 2.549 177.191 174.700 -0.097 0.000 1.036 264 T CA 1.357 63.437 62.100 -0.034 0.000 1.148 264 T CB -0.328 68.620 68.868 0.133 0.000 0.863 264 T HN 0.056 nan 8.240 nan 0.000 0.436 265 V N 1.745 121.582 119.914 -0.129 0.000 2.261 265 V HA -0.136 3.985 4.120 0.001 0.000 0.246 265 V C 2.488 178.410 176.094 -0.287 0.000 1.047 265 V CA 1.287 63.474 62.300 -0.188 0.000 1.015 265 V CB -0.535 31.100 31.823 -0.313 0.000 0.642 265 V HN 0.429 nan 8.190 nan 0.000 0.446 266 I N -0.069 120.285 120.570 -0.361 0.000 2.315 266 I HA -0.145 4.026 4.170 0.001 0.000 0.248 266 I C 2.498 178.420 176.117 -0.324 0.000 1.117 266 I CA 1.509 62.596 61.300 -0.353 0.000 1.404 266 I CB -1.177 36.610 38.000 -0.355 0.000 1.071 266 I HN 0.328 nan 8.210 nan 0.000 0.419 267 R N 1.059 121.303 120.500 -0.428 0.000 2.280 267 R HA -0.035 4.305 4.340 0.001 0.000 0.207 267 R C 0.274 176.328 176.300 -0.410 0.000 1.043 267 R CA 0.058 55.793 56.100 -0.610 0.000 1.006 267 R CB -0.033 29.457 30.300 -1.350 0.000 0.885 267 R HN 0.279 nan 8.270 nan 0.000 0.467 268 K N -0.594 119.667 120.400 -0.231 0.000 3.125 268 K HA -0.162 4.158 4.320 0.001 0.000 0.268 268 K C -0.925 175.778 176.600 0.172 0.000 1.078 268 K CA 0.442 56.699 56.287 -0.050 0.000 0.775 268 K CB -1.015 31.457 32.500 -0.047 0.000 1.253 268 K HN 0.141 nan 8.250 nan 0.000 0.486 269 W N 0.711 121.999 121.300 -0.019 0.000 2.415 269 W HA 0.343 5.003 4.660 0.001 0.000 0.355 269 W C 1.370 177.898 176.519 0.016 0.000 1.161 269 W CA -1.153 56.191 57.345 -0.002 0.000 1.315 269 W CB 0.066 29.528 29.460 0.004 0.000 1.261 269 W HN 0.280 nan 8.180 nan 0.000 0.636 270 N N 0.107 118.944 118.700 0.228 0.000 2.693 270 N HA -0.266 4.474 4.740 0.001 0.000 0.249 270 N C 0.950 176.535 175.510 0.125 0.000 1.119 270 N CA 0.926 54.058 53.050 0.136 0.000 0.717 270 N CB -0.845 37.732 38.487 0.150 0.000 1.071 270 N HN 0.927 nan 8.380 nan 0.000 0.555 271 G N -0.993 107.879 108.800 0.120 0.000 2.179 271 G HA2 -0.301 3.660 3.960 0.001 0.000 0.260 271 G HA3 -0.301 3.660 3.960 0.001 0.000 0.260 271 G C -0.099 174.881 174.900 0.134 0.000 0.977 271 G CA 0.684 45.851 45.100 0.112 0.000 0.641 271 G HN 0.522 nan 8.290 nan 0.000 0.533 272 E N 0.911 121.194 120.200 0.137 0.000 2.390 272 E HA 0.481 4.832 4.350 0.001 0.000 0.261 272 E C 0.716 177.243 176.600 -0.121 0.000 1.076 272 E CA 0.491 56.959 56.400 0.114 0.000 0.905 272 E CB 0.978 30.779 29.700 0.167 0.000 0.984 272 E HN 0.815 nan 8.360 nan 0.000 0.427 273 K N 0.486 120.665 120.400 -0.367 0.000 2.532 273 K HA 0.356 4.677 4.320 0.001 0.000 0.265 273 K C 0.527 176.907 176.600 -0.367 0.000 0.948 273 K CA -0.763 55.265 56.287 -0.433 0.000 0.842 273 K CB 1.000 33.164 32.500 -0.560 0.000 1.392 273 K HN 0.199 nan 8.250 nan 0.000 0.436 274 M N 1.256 120.685 119.600 -0.285 0.000 2.279 274 M HA -0.158 4.323 4.480 0.001 0.000 0.264 274 M C 1.757 178.048 176.300 -0.015 0.000 1.062 274 M CA 2.073 57.230 55.300 -0.238 0.000 1.099 274 M CB -0.265 32.176 32.600 -0.266 0.000 1.394 274 M HN 0.874 nan 8.290 nan 0.000 0.426 275 S N -0.361 115.334 115.700 -0.010 0.000 2.419 275 S HA -0.161 4.310 4.470 0.001 0.000 0.233 275 S C 1.543 176.359 174.600 0.359 0.000 1.016 275 S CA 0.850 59.194 58.200 0.240 0.000 0.974 275 S CB -0.743 62.518 63.200 0.102 0.000 0.786 275 S HN 0.432 nan 8.310 nan 0.000 0.492 276 Y N 1.825 122.210 120.300 0.142 0.000 2.497 276 Y HA 0.237 4.787 4.550 0.001 0.000 0.292 276 Y C 1.861 177.931 175.900 0.284 0.000 1.137 276 Y CA -0.605 57.600 58.100 0.175 0.000 1.285 276 Y CB -0.916 37.672 38.460 0.214 0.000 0.991 276 Y HN 0.300 nan 8.280 nan 0.000 0.556 277 L N 0.531 121.898 121.223 0.239 0.000 2.622 277 L HA -0.145 4.195 4.340 0.001 0.000 0.233 277 L C 2.103 178.819 176.870 -0.257 0.000 1.156 277 L CA 0.615 55.409 54.840 -0.077 0.000 0.866 277 L CB -0.451 41.317 42.059 -0.486 0.000 0.980 277 L HN 0.250 nan 8.230 nan 0.000 0.448 278 K N 0.605 120.661 120.400 -0.573 0.000 2.152 278 K HA -0.173 4.148 4.320 0.001 0.000 0.206 278 K C 1.223 177.503 176.600 -0.533 0.000 1.048 278 K CA 1.703 57.227 56.287 -1.270 0.000 0.933 278 K CB -0.393 31.284 32.500 -1.372 0.000 0.721 278 K HN 0.349 nan 8.250 nan 0.000 0.447 279 N N 0.474 119.066 118.700 -0.180 0.000 2.273 279 N HA -0.063 4.678 4.740 0.001 0.000 0.231 279 N C -0.659 174.852 175.510 0.001 0.000 1.134 279 N CA -0.633 52.364 53.050 -0.089 0.000 0.856 279 N CB -0.410 38.045 38.487 -0.054 0.000 1.068 279 N HN 0.366 nan 8.380 nan 0.000 0.510 280 W N 1.485 122.538 121.300 -0.412 0.000 2.377 280 W HA 0.222 4.883 4.660 0.001 0.000 0.341 280 W C 0.653 176.780 176.519 -0.652 0.000 1.240 280 W CA 2.178 59.038 57.345 -0.810 0.000 1.311 280 W CB 0.352 29.263 29.460 -0.915 0.000 1.175 280 W HN 0.468 nan 8.180 nan 0.000 0.571 281 G N 3.788 111.769 108.800 -1.365 0.000 2.408 281 G HA2 -0.288 3.673 3.960 0.001 0.000 0.204 281 G HA3 -0.288 3.673 3.960 0.001 0.000 0.204 281 G C 0.302 174.707 174.900 -0.824 0.000 1.186 281 G CA 0.084 44.498 45.100 -1.143 0.000 1.139 281 G HN 0.478 nan 8.290 nan 0.000 0.563 282 E N 0.777 120.810 120.200 -0.277 0.000 2.267 282 E HA 0.071 4.422 4.350 0.001 0.000 0.197 282 E C 2.466 178.949 176.600 -0.195 0.000 0.998 282 E CA 1.587 57.915 56.400 -0.120 0.000 0.830 282 E CB -0.448 29.276 29.700 0.040 0.000 0.751 282 E HN 0.805 nan 8.360 nan 0.000 0.491 283 G N -0.230 108.442 108.800 -0.213 0.000 2.448 283 G HA2 -0.214 3.746 3.960 0.001 0.000 0.219 283 G HA3 -0.214 3.746 3.960 0.001 0.000 0.219 283 G C 0.504 175.267 174.900 -0.229 0.000 1.127 283 G CA 0.220 45.221 45.100 -0.164 0.000 0.766 283 G HN 0.261 nan 8.290 nan 0.000 0.552 284 W N 0.114 120.961 121.300 -0.755 0.000 3.353 284 W HA 0.435 5.095 4.660 0.001 0.000 0.304 284 W C 1.679 177.810 176.519 -0.646 0.000 1.273 284 W CA -0.154 56.685 57.345 -0.844 0.000 1.773 284 W CB 0.050 28.656 29.460 -1.422 0.000 1.095 284 W HN 0.312 nan 8.180 nan 0.000 0.676 285 G N -0.965 107.679 108.800 -0.260 0.000 2.157 285 G HA2 -0.281 3.680 3.960 0.001 0.000 0.239 285 G HA3 -0.281 3.680 3.960 0.001 0.000 0.239 285 G C 0.115 175.122 174.900 0.179 0.000 0.982 285 G CA -0.557 44.524 45.100 -0.032 0.000 0.650 285 G HN -0.021 nan 8.290 nan 0.000 0.527 286 F N 1.486 121.388 119.950 -0.080 0.000 2.440 286 F HA 0.628 5.156 4.527 0.001 0.000 0.323 286 F C 1.616 177.471 175.800 0.092 0.000 1.192 286 F CA -1.280 56.684 58.000 -0.059 0.000 1.252 286 F CB 0.199 38.999 39.000 -0.333 0.000 1.214 286 F HN 0.343 nan 8.300 nan 0.000 0.578 287 M N 1.261 121.099 119.600 0.396 0.000 2.167 287 M HA 0.379 4.859 4.480 0.001 0.000 0.300 287 M C -2.536 173.949 176.300 0.307 0.000 1.171 287 M CA -1.447 54.069 55.300 0.360 0.000 1.171 287 M CB -0.486 32.370 32.600 0.426 0.000 1.396 287 M HN 0.153 nan 8.290 nan 0.000 0.466 288 P HA -0.017 nan 4.420 nan 0.000 0.262 288 P C 0.294 177.532 177.300 -0.103 0.000 1.182 288 P CA 0.270 63.379 63.100 0.015 0.000 0.761 288 P CB 0.702 32.320 31.700 -0.137 0.000 0.795 289 S N 3.028 118.638 115.700 -0.150 0.000 2.392 289 S HA -0.222 4.249 4.470 0.001 0.000 0.232 289 S C 1.330 175.706 174.600 -0.374 0.000 1.041 289 S CA 2.067 59.939 58.200 -0.547 0.000 1.026 289 S CB -0.851 62.153 63.200 -0.327 0.000 0.845 289 S HN 0.630 nan 8.310 nan 0.000 0.465 290 D N -0.422 119.835 120.400 -0.239 0.000 2.378 290 D HA -0.023 4.618 4.640 0.001 0.000 0.227 290 D C 1.566 177.742 176.300 -0.208 0.000 1.012 290 D CA 0.379 54.262 54.000 -0.195 0.000 0.905 290 D CB -0.194 40.495 40.800 -0.184 0.000 0.895 290 D HN 0.293 nan 8.370 nan 0.000 0.532 291 R N -0.227 120.111 120.500 -0.270 0.000 2.419 291 R HA 0.410 4.750 4.340 0.001 0.000 0.235 291 R C 0.287 176.531 176.300 -0.093 0.000 0.899 291 R CA 0.049 56.002 56.100 -0.246 0.000 1.048 291 R CB 0.353 30.237 30.300 -0.692 0.000 1.182 291 R HN 0.181 nan 8.270 nan 0.000 0.544 292 A N 2.146 124.881 122.820 -0.141 0.000 2.363 292 A HA 0.395 4.716 4.320 0.001 0.000 0.270 292 A C -0.262 177.289 177.584 -0.056 0.000 1.121 292 A CA -0.293 51.696 52.037 -0.081 0.000 0.800 292 A CB 0.500 19.415 19.000 -0.141 0.000 1.052 292 A HN 0.118 nan 8.150 nan 0.000 0.493 293 L N 5.503 126.723 121.223 -0.004 0.000 2.277 293 L HA 0.554 4.894 4.340 0.001 0.000 0.284 293 L C -0.234 176.641 176.870 0.009 0.000 1.028 293 L CA -0.272 54.566 54.840 -0.003 0.000 0.835 293 L CB 0.709 42.723 42.059 -0.075 0.000 1.215 293 L HN 0.656 nan 8.230 nan 0.000 0.425 294 V N 3.316 123.165 119.914 -0.107 0.000 2.850 294 V HA 0.831 4.951 4.120 0.001 0.000 0.315 294 V C -0.673 175.360 176.094 -0.102 0.000 1.064 294 V CA -0.545 61.514 62.300 -0.402 0.000 0.979 294 V CB 1.801 33.030 31.823 -0.990 0.000 1.039 294 V HN 0.699 nan 8.190 nan 0.000 0.452 295 F N -0.724 119.040 119.950 -0.311 0.000 2.746 295 F HA 0.707 5.234 4.527 0.001 0.000 0.311 295 F C -0.055 175.764 175.800 0.032 0.000 1.135 295 F CA -0.889 57.037 58.000 -0.122 0.000 0.954 295 F CB 0.541 39.469 39.000 -0.120 0.000 1.276 295 F HN 0.255 nan 8.300 nan 0.000 0.440 296 V N 0.102 120.136 119.914 0.199 0.000 2.331 296 V HA 0.023 4.143 4.120 0.001 0.000 0.242 296 V C 0.289 176.537 176.094 0.256 0.000 1.034 296 V CA 2.049 64.452 62.300 0.172 0.000 1.027 296 V CB -0.498 31.387 31.823 0.104 0.000 0.667 296 V HN 0.923 nan 8.190 nan 0.000 0.457 297 D N -0.396 120.246 120.400 0.403 0.000 2.523 297 D HA 0.329 4.970 4.640 0.001 0.000 0.236 297 D C -0.888 175.633 176.300 0.367 0.000 1.094 297 D CA -0.656 53.574 54.000 0.384 0.000 0.942 297 D CB 1.761 42.739 40.800 0.296 0.000 1.447 297 D HN 0.299 nan 8.370 nan 0.000 0.479 298 N N -1.776 117.041 118.700 0.195 0.000 2.966 298 N HA 0.102 4.843 4.740 0.001 0.000 0.314 298 N C 1.176 176.594 175.510 -0.154 0.000 1.397 298 N CA -0.498 52.525 53.050 -0.044 0.000 0.776 298 N CB 0.261 38.565 38.487 -0.305 0.000 1.576 298 N HN 0.594 nan 8.380 nan 0.000 0.592 299 H N -1.051 117.832 119.070 -0.312 0.000 2.421 299 H HA -0.008 4.548 4.556 0.001 0.000 0.298 299 H C -0.063 174.865 175.328 -0.667 0.000 1.087 299 H CA 1.364 56.950 56.048 -0.770 0.000 1.330 299 H CB -0.109 28.873 29.762 -1.299 0.000 1.388 299 H HN 0.541 nan 8.280 nan 0.000 0.526 300 D N 1.437 121.276 120.400 -0.934 0.000 2.106 300 D HA -0.123 4.517 4.640 0.001 0.000 0.203 300 D C 1.873 178.049 176.300 -0.206 0.000 0.977 300 D CA 1.459 55.156 54.000 -0.506 0.000 0.844 300 D CB -0.146 40.449 40.800 -0.341 0.000 1.002 300 D HN 0.540 nan 8.370 nan 0.000 0.461 301 N N 1.264 119.906 118.700 -0.097 0.000 2.494 301 N HA -0.159 4.581 4.740 0.001 0.000 0.182 301 N C 1.555 177.094 175.510 0.048 0.000 1.076 301 N CA 0.582 53.644 53.050 0.020 0.000 0.908 301 N CB -0.699 37.863 38.487 0.124 0.000 0.967 301 N HN 0.337 nan 8.380 nan 0.000 0.449 302 Q N -0.292 119.523 119.800 0.024 0.000 2.488 302 Q HA 0.061 4.401 4.340 0.001 0.000 0.211 302 Q C 1.333 177.461 176.000 0.215 0.000 0.967 302 Q CA 0.637 56.508 55.803 0.113 0.000 0.926 302 Q CB -0.119 28.684 28.738 0.109 0.000 0.992 302 Q HN 0.269 nan 8.270 nan 0.000 0.506 303 R N 0.263 120.827 120.500 0.107 0.000 2.300 303 R HA 0.201 4.541 4.340 0.001 0.000 0.199 303 R C 0.596 177.022 176.300 0.211 0.000 0.920 303 R CA 0.439 56.649 56.100 0.183 0.000 1.046 303 R CB 0.802 31.115 30.300 0.022 0.000 0.984 303 R HN 0.326 nan 8.270 nan 0.000 0.493 304 G N -0.649 108.236 108.800 0.142 0.000 2.887 304 G HA2 0.256 4.216 3.960 0.001 0.000 0.277 304 G HA3 0.256 4.216 3.960 0.001 0.000 0.277 304 G C -0.957 174.014 174.900 0.119 0.000 1.346 304 G CA -0.726 44.435 45.100 0.102 0.000 1.058 304 G HN 0.278 nan 8.290 nan 0.000 0.535 305 H N -2.207 116.970 119.070 0.178 0.000 2.544 305 H HA 0.601 5.158 4.556 0.001 0.000 0.365 305 H C 1.277 176.712 175.328 0.179 0.000 1.268 305 H CA 0.436 56.587 56.048 0.172 0.000 1.400 305 H CB 1.214 31.066 29.762 0.150 0.000 1.538 305 H HN 0.865 nan 8.280 nan 0.000 0.597 306 S N -0.642 115.331 115.700 0.454 0.000 1.619 306 S HA -0.227 4.244 4.470 0.001 0.000 0.235 306 S C 0.466 175.141 174.600 0.126 0.000 0.805 306 S CA 0.946 59.376 58.200 0.383 0.000 1.403 306 S CB -1.381 62.139 63.200 0.532 0.000 1.782 306 S HN 0.647 nan 8.310 nan 0.000 0.524 307 I N 3.212 123.853 120.570 0.117 0.000 2.845 307 I HA 0.110 4.281 4.170 0.001 0.000 0.296 307 I C 0.919 177.089 176.117 0.088 0.000 1.216 307 I CA 0.720 62.077 61.300 0.094 0.000 1.438 307 I CB -0.275 37.792 38.000 0.112 0.000 1.342 307 I HN 0.448 nan 8.210 nan 0.000 0.577 308 L N 6.441 127.726 121.223 0.104 0.000 2.349 308 L HA 0.332 4.672 4.340 0.001 0.000 0.275 308 L C 0.656 177.655 176.870 0.215 0.000 1.115 308 L CA -0.106 54.828 54.840 0.157 0.000 0.820 308 L CB 1.188 43.367 42.059 0.201 0.000 1.135 308 L HN 0.797 nan 8.230 nan 0.000 0.445 309 T N -1.559 112.971 114.554 -0.039 0.000 2.804 309 T HA 0.327 4.677 4.350 0.001 0.000 0.290 309 T C 0.788 174.978 174.700 -0.851 0.000 1.099 309 T CA -0.632 61.154 62.100 -0.524 0.000 1.011 309 T CB 0.740 69.448 68.868 -0.267 0.000 1.291 309 T HN 0.407 nan 8.240 nan 0.000 0.523 310 F N -1.017 118.403 119.950 -0.883 0.000 2.307 310 F HA 0.134 4.662 4.527 0.001 0.000 0.301 310 F C 1.669 177.388 175.800 -0.136 0.000 1.076 310 F CA 0.172 57.894 58.000 -0.463 0.000 1.383 310 F CB -1.097 37.640 39.000 -0.438 0.000 1.055 310 F HN 0.563 nan 8.300 nan 0.000 0.526 311 W N 1.479 122.319 121.300 -0.766 0.000 2.392 311 W HA -0.094 4.567 4.660 0.001 0.000 0.279 311 W C 0.791 177.231 176.519 -0.131 0.000 1.225 311 W CA 0.876 57.961 57.345 -0.433 0.000 1.233 311 W CB -0.196 28.948 29.460 -0.527 0.000 1.122 311 W HN -0.022 nan 8.180 nan 0.000 0.561 312 D N 0.083 120.545 120.400 0.102 0.000 3.179 312 D HA 0.227 4.868 4.640 0.001 0.000 0.267 312 D C 1.447 177.874 176.300 0.211 0.000 1.348 312 D CA 0.219 54.297 54.000 0.130 0.000 0.897 312 D CB 0.235 41.092 40.800 0.094 0.000 1.062 312 D HN 0.039 nan 8.370 nan 0.000 0.494 313 A N 1.179 124.147 122.820 0.246 0.000 1.903 313 A HA -0.296 4.024 4.320 0.001 0.000 0.219 313 A C 2.202 179.979 177.584 0.321 0.000 1.191 313 A CA 1.547 53.800 52.037 0.360 0.000 0.638 313 A CB -0.349 18.746 19.000 0.158 0.000 0.823 313 A HN 0.311 nan 8.150 nan 0.000 0.451 314 R N -0.511 120.100 120.500 0.186 0.000 2.070 314 R HA -0.050 4.291 4.340 0.001 0.000 0.233 314 R C 2.085 178.483 176.300 0.164 0.000 1.137 314 R CA 1.715 57.911 56.100 0.160 0.000 0.945 314 R CB -0.409 29.950 30.300 0.098 0.000 0.845 314 R HN 0.524 nan 8.270 nan 0.000 0.430 315 L N -0.381 120.916 121.223 0.122 0.000 2.141 315 L HA -0.168 4.173 4.340 0.001 0.000 0.209 315 L C 2.372 179.300 176.870 0.096 0.000 1.094 315 L CA 0.977 55.849 54.840 0.053 0.000 0.763 315 L CB -0.561 41.491 42.059 -0.011 0.000 0.908 315 L HN 0.289 nan 8.230 nan 0.000 0.437 316 Y N 1.282 121.628 120.300 0.078 0.000 2.181 316 Y HA -0.264 4.287 4.550 0.001 0.000 0.288 316 Y C 2.545 178.533 175.900 0.147 0.000 1.146 316 Y CA 1.556 59.725 58.100 0.114 0.000 1.164 316 Y CB -0.111 38.471 38.460 0.203 0.000 0.982 316 Y HN -0.008 nan 8.280 nan 0.000 0.515 317 K N -0.513 120.049 120.400 0.271 0.000 2.097 317 K HA -0.209 4.112 4.320 0.001 0.000 0.206 317 K C 2.108 178.693 176.600 -0.025 0.000 1.049 317 K CA 1.997 58.428 56.287 0.241 0.000 0.933 317 K CB -0.248 32.532 32.500 0.467 0.000 0.717 317 K HN 0.401 nan 8.250 nan 0.000 0.442 318 M N 0.146 119.652 119.600 -0.156 0.000 2.117 318 M HA -0.156 4.324 4.480 0.001 0.000 0.262 318 M C 2.448 178.548 176.300 -0.333 0.000 1.065 318 M CA 1.651 56.666 55.300 -0.475 0.000 1.114 318 M CB -0.366 32.083 32.600 -0.252 0.000 1.361 318 M HN 0.196 nan 8.290 nan 0.000 0.408 319 A N -0.100 122.563 122.820 -0.262 0.000 1.877 319 A HA -0.096 4.225 4.320 0.001 0.000 0.216 319 A C 2.246 179.735 177.584 -0.159 0.000 1.186 319 A CA 1.623 53.505 52.037 -0.258 0.000 0.620 319 A CB -0.992 17.875 19.000 -0.221 0.000 0.822 319 A HN 0.295 nan 8.150 nan 0.000 0.443 320 V N -0.071 119.709 119.914 -0.223 0.000 2.427 320 V HA -0.154 3.966 4.120 0.001 0.000 0.248 320 V C 2.778 178.863 176.094 -0.014 0.000 1.051 320 V CA 1.831 64.042 62.300 -0.149 0.000 1.048 320 V CB -1.356 30.299 31.823 -0.279 0.000 0.666 320 V HN 0.620 nan 8.190 nan 0.000 0.456 321 G N -0.920 107.870 108.800 -0.017 0.000 2.418 321 G HA2 -0.304 3.657 3.960 0.001 0.000 0.217 321 G HA3 -0.304 3.657 3.960 0.001 0.000 0.217 321 G C 1.561 176.550 174.900 0.149 0.000 1.158 321 G CA 0.939 46.080 45.100 0.068 0.000 0.771 321 G HN 0.475 nan 8.290 nan 0.000 0.545 322 F N 0.874 120.826 119.950 0.003 0.000 2.102 322 F HA 0.018 4.545 4.527 0.001 0.000 0.298 322 F C 2.668 178.546 175.800 0.130 0.000 1.105 322 F CA 1.997 59.994 58.000 -0.005 0.000 1.239 322 F CB -0.136 38.541 39.000 -0.538 0.000 0.991 322 F HN 0.147 nan 8.300 nan 0.000 0.474 323 M N -0.019 119.769 119.600 0.313 0.000 2.065 323 M HA -0.254 4.227 4.480 0.001 0.000 0.259 323 M C 2.060 178.501 176.300 0.234 0.000 1.069 323 M CA 2.037 57.566 55.300 0.381 0.000 1.110 323 M CB -0.525 32.268 32.600 0.322 0.000 1.328 323 M HN 0.295 nan 8.290 nan 0.000 0.405 324 L N -0.010 121.285 121.223 0.120 0.000 2.191 324 L HA -0.133 4.208 4.340 0.001 0.000 0.212 324 L C 2.628 179.566 176.870 0.112 0.000 1.103 324 L CA 0.971 55.853 54.840 0.069 0.000 0.769 324 L CB -0.791 41.281 42.059 0.021 0.000 0.908 324 L HN 0.444 nan 8.230 nan 0.000 0.438 325 A N -2.044 120.818 122.820 0.070 0.000 2.021 325 A HA -0.092 4.228 4.320 0.001 0.000 0.216 325 A C 1.220 179.069 177.584 0.441 0.000 1.163 325 A CA 0.324 52.436 52.037 0.124 0.000 0.676 325 A CB -0.396 18.437 19.000 -0.278 0.000 0.818 325 A HN 0.309 nan 8.150 nan 0.000 0.453 326 H N 0.771 120.006 119.070 0.275 0.000 2.610 326 H HA 0.188 4.745 4.556 0.001 0.000 0.336 326 H C -1.759 173.710 175.328 0.234 0.000 1.087 326 H CA -1.419 54.763 56.048 0.223 0.000 1.405 326 H CB 1.541 31.333 29.762 0.049 0.000 1.460 326 H HN 0.096 nan 8.280 nan 0.000 0.538 327 P HA -0.138 nan 4.420 nan 0.000 0.230 327 P C 0.230 177.650 177.300 0.201 0.000 1.158 327 P CA 0.506 63.658 63.100 0.087 0.000 0.769 327 P CB -0.166 31.536 31.700 0.004 0.000 0.807 328 Y N 2.307 122.822 120.300 0.359 0.000 2.620 328 Y HA 0.319 4.870 4.550 0.001 0.000 0.330 328 Y C 1.231 177.191 175.900 0.100 0.000 1.186 328 Y CA 1.466 59.707 58.100 0.235 0.000 1.467 328 Y CB -0.280 38.326 38.460 0.243 0.000 1.262 328 Y HN 0.319 nan 8.280 nan 0.000 0.550 329 G N 4.559 113.012 108.800 -0.579 0.000 2.855 329 G HA2 -0.295 3.665 3.960 0.001 0.000 0.352 329 G HA3 -0.295 3.665 3.960 0.001 0.000 0.352 329 G C -1.422 173.394 174.900 -0.139 0.000 1.415 329 G CA -0.320 44.505 45.100 -0.458 0.000 0.871 329 G HN 0.905 nan 8.290 nan 0.000 0.543 330 F N 1.897 121.726 119.950 -0.201 0.000 2.427 330 F HA 0.642 5.169 4.527 0.001 0.000 0.346 330 F C 1.167 176.879 175.800 -0.146 0.000 1.120 330 F CA 0.147 58.067 58.000 -0.134 0.000 1.033 330 F CB 1.572 40.528 39.000 -0.073 0.000 1.126 330 F HN 0.809 nan 8.300 nan 0.000 0.462 331 T N 4.059 118.317 114.554 -0.494 0.000 2.845 331 T HA 0.424 4.774 4.350 0.001 0.000 0.288 331 T C -0.374 174.224 174.700 -0.171 0.000 0.980 331 T CA -0.881 61.057 62.100 -0.270 0.000 1.071 331 T CB 1.427 70.150 68.868 -0.241 0.000 0.941 331 T HN 0.777 nan 8.240 nan 0.000 0.487 332 R N 2.217 122.700 120.500 -0.029 0.000 2.480 332 R HA 0.611 4.952 4.340 0.001 0.000 0.306 332 R C -1.525 174.822 176.300 0.079 0.000 0.958 332 R CA -0.701 55.410 56.100 0.020 0.000 0.861 332 R CB 1.438 31.718 30.300 -0.033 0.000 1.171 332 R HN 0.595 nan 8.270 nan 0.000 0.445 333 V N 5.379 125.356 119.914 0.105 0.000 2.532 333 V HA 0.345 4.466 4.120 0.001 0.000 0.295 333 V C 0.174 176.366 176.094 0.163 0.000 1.041 333 V CA -0.761 61.626 62.300 0.146 0.000 0.926 333 V CB 1.617 33.554 31.823 0.190 0.000 0.992 333 V HN 0.804 nan 8.190 nan 0.000 0.457 334 M N 3.854 123.568 119.600 0.190 0.000 2.274 334 M HA 0.518 4.999 4.480 0.001 0.000 0.344 334 M C -0.158 176.208 176.300 0.110 0.000 1.161 334 M CA 0.659 56.061 55.300 0.170 0.000 1.126 334 M CB 1.486 34.216 32.600 0.216 0.000 1.522 334 M HN 0.649 nan 8.290 nan 0.000 0.461 335 S N 2.360 118.087 115.700 0.046 0.000 2.672 335 S HA 0.810 5.281 4.470 0.001 0.000 0.291 335 S C -1.314 173.370 174.600 0.141 0.000 1.145 335 S CA -0.607 57.623 58.200 0.050 0.000 1.013 335 S CB 0.792 63.945 63.200 -0.079 0.000 1.017 335 S HN 0.818 nan 8.310 nan 0.000 0.487 336 S N 2.719 118.488 115.700 0.115 0.000 2.715 336 S HA 0.774 5.244 4.470 0.001 0.000 0.307 336 S C -1.364 173.347 174.600 0.186 0.000 1.119 336 S CA -0.737 57.538 58.200 0.126 0.000 0.937 336 S CB 0.869 64.011 63.200 -0.096 0.000 1.150 336 S HN 0.767 nan 8.310 nan 0.000 0.521 337 Y N -0.608 119.796 120.300 0.173 0.000 2.549 337 Y HA 0.756 5.307 4.550 0.001 0.000 0.339 337 Y C -0.183 175.728 175.900 0.019 0.000 1.053 337 Y CA -1.347 56.721 58.100 -0.052 0.000 1.105 337 Y CB 0.736 38.987 38.460 -0.349 0.000 1.258 337 Y HN 0.510 nan 8.280 nan 0.000 0.478 338 R N 2.049 122.605 120.500 0.094 0.000 2.357 338 R HA 0.407 4.748 4.340 0.001 0.000 0.296 338 R C -1.657 174.937 176.300 0.491 0.000 1.052 338 R CA -0.459 55.723 56.100 0.136 0.000 0.988 338 R CB 0.659 30.929 30.300 -0.050 0.000 1.025 338 R HN 0.950 nan 8.270 nan 0.000 0.469 339 W N 4.102 125.646 121.300 0.406 0.000 2.962 339 W HA 0.510 5.171 4.660 0.001 0.000 0.341 339 W C -2.463 174.229 176.519 0.290 0.000 1.155 339 W CA -2.558 54.964 57.345 0.295 0.000 1.165 339 W CB 0.517 30.139 29.460 0.270 0.000 1.435 339 W HN 0.392 nan 8.180 nan 0.000 0.546 340 P HA -0.013 nan 4.420 nan 0.000 0.244 340 P C -0.134 177.148 177.300 -0.029 0.000 1.723 340 P CA 0.046 63.190 63.100 0.074 0.000 1.110 340 P CB 0.011 31.784 31.700 0.121 0.000 1.972 341 R N 2.692 122.935 120.500 -0.429 0.000 2.498 341 R HA 0.004 4.344 4.340 0.001 0.000 0.334 341 R C -0.893 175.176 176.300 -0.385 0.000 1.106 341 R CA -0.050 55.708 56.100 -0.570 0.000 0.995 341 R CB -0.640 28.932 30.300 -1.213 0.000 0.989 341 R HN 0.261 nan 8.270 nan 0.000 0.455 342 Y N 4.924 125.044 120.300 -0.300 0.000 2.342 342 Y HA 0.278 4.829 4.550 0.001 0.000 0.338 342 Y C -0.994 174.778 175.900 -0.213 0.000 0.965 342 Y CA -0.744 57.252 58.100 -0.174 0.000 1.159 342 Y CB 0.641 39.077 38.460 -0.040 0.000 1.157 342 Y HN 0.383 nan 8.280 nan 0.000 0.486 343 F N 3.554 123.487 119.950 -0.029 0.000 2.394 343 F HA 0.331 4.859 4.527 0.001 0.000 0.340 343 F C 0.508 176.376 175.800 0.113 0.000 1.105 343 F CA -0.482 57.541 58.000 0.039 0.000 1.124 343 F CB 1.198 40.162 39.000 -0.061 0.000 1.145 343 F HN 0.422 nan 8.300 nan 0.000 0.505 344 E N 2.883 123.291 120.200 0.347 0.000 3.312 344 E HA 0.093 4.444 4.350 0.001 0.000 0.215 344 E C -0.920 175.800 176.600 0.199 0.000 1.160 344 E CA -0.373 56.174 56.400 0.245 0.000 1.267 344 E CB 0.045 29.870 29.700 0.209 0.000 1.361 344 E HN 0.536 nan 8.360 nan 0.000 0.433 345 N N 0.916 119.720 118.700 0.173 0.000 2.422 345 N HA -0.166 4.574 4.740 0.001 0.000 0.289 345 N C 0.474 176.050 175.510 0.110 0.000 1.385 345 N CA 1.145 54.249 53.050 0.089 0.000 0.639 345 N CB -0.551 37.971 38.487 0.057 0.000 0.914 345 N HN 0.821 nan 8.380 nan 0.000 0.516 346 G N 0.898 109.739 108.800 0.069 0.000 2.283 346 G HA2 -0.303 3.657 3.960 0.001 0.000 0.280 346 G HA3 -0.303 3.657 3.960 0.001 0.000 0.280 346 G C -0.055 175.016 174.900 0.285 0.000 1.029 346 G CA 0.996 46.158 45.100 0.103 0.000 0.840 346 G HN 0.631 nan 8.290 nan 0.000 0.505 347 K N 0.418 121.091 120.400 0.455 0.000 2.731 347 K HA 0.266 4.587 4.320 0.001 0.000 0.257 347 K C -1.438 175.342 176.600 0.300 0.000 1.032 347 K CA -0.769 55.729 56.287 0.352 0.000 0.983 347 K CB 1.127 33.765 32.500 0.231 0.000 1.248 347 K HN 0.107 nan 8.250 nan 0.000 0.484 348 D N 3.647 124.110 120.400 0.106 0.000 2.402 348 D HA 0.029 4.669 4.640 0.001 0.000 0.235 348 D C 1.321 177.663 176.300 0.070 0.000 1.226 348 D CA -0.256 53.595 54.000 -0.249 0.000 0.918 348 D CB 0.763 41.360 40.800 -0.339 0.000 1.043 348 D HN 0.305 nan 8.370 nan 0.000 0.506 349 V N 1.655 121.649 119.914 0.132 0.000 3.078 349 V HA -0.014 4.106 4.120 0.001 0.000 0.265 349 V C 0.992 177.289 176.094 0.338 0.000 1.122 349 V CA 0.812 63.265 62.300 0.255 0.000 1.141 349 V CB -0.479 31.488 31.823 0.239 0.000 0.735 349 V HN 0.383 nan 8.190 nan 0.000 0.498 350 N N 1.744 120.545 118.700 0.169 0.000 2.279 350 N HA 0.043 4.783 4.740 0.001 0.000 0.226 350 N C 0.908 176.343 175.510 -0.126 0.000 1.126 350 N CA 0.770 53.774 53.050 -0.076 0.000 0.846 350 N CB 0.191 38.691 38.487 0.021 0.000 1.050 350 N HN 0.790 nan 8.380 nan 0.000 0.502 351 D N -0.223 120.243 120.400 0.111 0.000 2.378 351 D HA -0.137 4.503 4.640 0.001 0.000 0.227 351 D C 1.555 178.020 176.300 0.276 0.000 1.012 351 D CA 0.147 54.208 54.000 0.102 0.000 0.905 351 D CB -0.487 40.452 40.800 0.231 0.000 0.895 351 D HN 0.494 nan 8.370 nan 0.000 0.532 352 W N 0.667 122.175 121.300 0.348 0.000 2.942 352 W HA 0.287 4.948 4.660 0.001 0.000 0.263 352 W C -0.237 176.400 176.519 0.197 0.000 1.296 352 W CA -0.604 56.967 57.345 0.377 0.000 1.504 352 W CB -0.639 29.051 29.460 0.384 0.000 1.096 352 W HN -0.307 nan 8.180 nan 0.000 0.639 353 V N 3.418 122.975 119.914 -0.594 0.000 2.644 353 V HA 0.138 4.259 4.120 0.001 0.000 0.305 353 V C 1.466 177.617 176.094 0.096 0.000 1.053 353 V CA 0.930 62.887 62.300 -0.571 0.000 1.186 353 V CB -0.252 31.207 31.823 -0.606 0.000 0.895 353 V HN 0.176 nan 8.190 nan 0.000 0.490 354 G N 6.667 115.506 108.800 0.065 0.000 2.553 354 G HA2 0.426 4.387 3.960 0.001 0.000 0.278 354 G HA3 0.426 4.387 3.960 0.001 0.000 0.278 354 G C -2.337 172.286 174.900 -0.462 0.000 1.349 354 G CA -0.958 44.142 45.100 -0.000 0.000 1.037 354 G HN 0.638 nan 8.290 nan 0.000 0.508 355 P HA 0.178 nan 4.420 nan 0.000 0.271 355 P C -2.634 174.150 177.300 -0.860 0.000 1.233 355 P CA -1.013 61.203 63.100 -1.474 0.000 0.789 355 P CB -0.177 31.017 31.700 -0.844 0.000 0.951 356 P HA 0.042 nan 4.420 nan 0.000 0.264 356 P C -0.372 176.730 177.300 -0.330 0.000 1.183 356 P CA 0.756 63.520 63.100 -0.559 0.000 0.763 356 P CB -0.209 31.045 31.700 -0.744 0.000 0.807 357 N N -0.041 118.558 118.700 -0.168 0.000 2.710 357 N HA 0.356 5.096 4.740 0.001 0.000 0.257 357 N C -1.876 173.628 175.510 -0.011 0.000 1.327 357 N CA -0.887 52.121 53.050 -0.070 0.000 0.861 357 N CB 1.282 39.751 38.487 -0.031 0.000 1.532 357 N HN 0.006 nan 8.380 nan 0.000 0.499 358 D N 0.862 121.271 120.400 0.014 0.000 2.460 358 D HA 0.281 4.921 4.640 0.001 0.000 0.232 358 D C -0.442 175.900 176.300 0.069 0.000 1.079 358 D CA -0.104 53.911 54.000 0.024 0.000 0.864 358 D CB 0.483 41.289 40.800 0.009 0.000 1.048 358 D HN 0.610 nan 8.370 nan 0.000 0.523 359 N N 1.919 120.676 118.700 0.094 0.000 2.714 359 N HA -0.223 4.518 4.740 0.001 0.000 0.252 359 N C 1.125 176.855 175.510 0.367 0.000 1.014 359 N CA 1.338 54.499 53.050 0.185 0.000 0.735 359 N CB -1.033 37.514 38.487 0.100 0.000 0.924 359 N HN 0.890 nan 8.380 nan 0.000 0.540 360 G N -3.257 105.780 108.800 0.395 0.000 2.195 360 G HA2 -0.312 3.649 3.960 0.001 0.000 0.246 360 G HA3 -0.312 3.649 3.960 0.001 0.000 0.246 360 G C 0.005 174.905 174.900 0.000 0.000 0.984 360 G CA 0.160 45.332 45.100 0.120 0.000 0.633 360 G HN 0.522 nan 8.290 nan 0.000 0.525 361 V N 2.944 122.877 119.914 0.032 0.000 2.389 361 V HA 0.419 4.540 4.120 0.001 0.000 0.264 361 V C 1.118 177.194 176.094 -0.030 0.000 1.049 361 V CA 0.217 62.511 62.300 -0.010 0.000 0.932 361 V CB 0.923 32.749 31.823 0.005 0.000 1.011 361 V HN 0.339 nan 8.190 nan 0.000 0.475 362 T N 6.286 120.805 114.554 -0.058 0.000 2.905 362 T HA 0.034 4.385 4.350 0.001 0.000 0.299 362 T C 0.386 175.088 174.700 0.004 0.000 1.024 362 T CA 0.290 62.363 62.100 -0.046 0.000 1.151 362 T CB 0.058 68.895 68.868 -0.050 0.000 0.987 362 T HN 0.551 nan 8.240 nan 0.000 0.535 363 K N 2.944 123.370 120.400 0.043 0.000 2.237 363 K HA 0.134 4.455 4.320 0.001 0.000 0.270 363 K C 0.952 177.655 176.600 0.171 0.000 1.015 363 K CA -0.521 55.816 56.287 0.084 0.000 0.949 363 K CB 0.751 33.279 32.500 0.046 0.000 0.976 363 K HN 0.728 nan 8.250 nan 0.000 0.472 364 E N 0.709 120.934 120.200 0.042 0.000 2.408 364 E HA 0.057 4.407 4.350 0.001 0.000 0.259 364 E C -0.677 175.845 176.600 -0.130 0.000 1.110 364 E CA -0.631 55.716 56.400 -0.088 0.000 0.929 364 E CB 0.591 30.240 29.700 -0.084 0.000 0.971 364 E HN 0.045 nan 8.360 nan 0.000 0.438 365 V N 2.931 122.528 119.914 -0.529 0.000 2.408 365 V HA 0.139 4.259 4.120 0.001 0.000 0.267 365 V C 0.393 176.305 176.094 -0.304 0.000 1.047 365 V CA -0.174 61.694 62.300 -0.721 0.000 0.937 365 V CB 0.531 31.511 31.823 -1.405 0.000 0.999 365 V HN 0.834 nan 8.190 nan 0.000 0.472 366 T N 4.056 118.537 114.554 -0.121 0.000 2.907 366 T HA 0.681 5.032 4.350 0.001 0.000 0.284 366 T C -0.511 174.158 174.700 -0.052 0.000 1.004 366 T CA -0.776 61.285 62.100 -0.064 0.000 1.063 366 T CB 1.567 70.427 68.868 -0.013 0.000 0.992 366 T HN 0.215 nan 8.240 nan 0.000 0.483 367 I N 3.190 123.738 120.570 -0.037 0.000 2.339 367 I HA 0.355 4.526 4.170 0.001 0.000 0.290 367 I C 0.202 176.317 176.117 -0.002 0.000 0.994 367 I CA -1.093 60.195 61.300 -0.020 0.000 1.191 367 I CB 1.005 38.996 38.000 -0.015 0.000 1.343 367 I HN 0.680 nan 8.210 nan 0.000 0.458 368 N N 8.545 127.248 118.700 0.006 0.000 2.483 368 N HA 0.273 5.014 4.740 0.001 0.000 0.269 368 N C -1.445 174.074 175.510 0.015 0.000 1.209 368 N CA -1.295 51.762 53.050 0.012 0.000 0.969 368 N CB 0.725 39.222 38.487 0.016 0.000 1.173 368 N HN 0.336 nan 8.380 nan 0.000 0.475 369 P HA -0.151 nan 4.420 nan 0.000 0.218 369 P C 0.321 177.635 177.300 0.024 0.000 1.148 369 P CA 1.359 64.471 63.100 0.019 0.000 0.822 369 P CB 0.131 31.840 31.700 0.016 0.000 0.784 370 D N -0.887 119.526 120.400 0.022 0.000 2.324 370 D HA -0.053 4.587 4.640 0.001 0.000 0.235 370 D C 0.738 177.059 176.300 0.034 0.000 1.095 370 D CA 1.102 55.117 54.000 0.025 0.000 0.871 370 D CB -1.185 39.625 40.800 0.016 0.000 0.906 370 D HN 0.294 nan 8.370 nan 0.000 0.522 371 T N -4.498 110.075 114.554 0.032 0.000 6.412 371 T HA -0.282 4.069 4.350 0.001 0.000 0.279 371 T C 0.609 175.311 174.700 0.003 0.000 2.177 371 T CA 1.545 63.660 62.100 0.025 0.000 3.599 371 T CB -3.056 65.849 68.868 0.062 0.000 1.259 371 T HN 0.573 nan 8.240 nan 0.000 1.146 372 T N -0.919 113.651 114.554 0.027 0.000 2.732 372 T HA 0.625 4.975 4.350 0.001 0.000 0.287 372 T C 0.804 175.522 174.700 0.030 0.000 0.993 372 T CA -0.229 61.901 62.100 0.049 0.000 0.966 372 T CB 1.172 70.078 68.868 0.063 0.000 1.047 372 T HN 0.649 nan 8.240 nan 0.000 0.527 373 c N 0.358 118.994 118.600 0.060 0.000 2.454 373 c HA 0.880 5.451 4.570 0.001 0.000 0.336 373 c C 1.299 175.436 174.090 0.078 0.000 1.189 373 c CA -0.416 55.948 56.329 0.058 0.000 1.877 373 c CB 0.881 43.446 42.510 0.093 0.000 2.348 373 c HN 1.192 nan 8.230 nan 0.000 0.508 374 G N 0.497 109.340 108.800 0.071 0.000 2.702 374 G HA2 0.450 4.411 3.960 0.001 0.000 0.254 374 G HA3 0.450 4.411 3.960 0.001 0.000 0.254 374 G C 0.011 174.983 174.900 0.120 0.000 1.380 374 G CA -0.168 44.974 45.100 0.070 0.000 1.042 374 G HN 0.777 nan 8.290 nan 0.000 0.557 375 N N 0.232 118.964 118.700 0.053 0.000 2.714 375 N HA -0.153 4.588 4.740 0.001 0.000 0.250 375 N C -0.045 175.351 175.510 -0.189 0.000 1.117 375 N CA 1.314 54.360 53.050 -0.007 0.000 0.719 375 N CB -0.616 37.927 38.487 0.093 0.000 1.081 375 N HN 0.668 nan 8.380 nan 0.000 0.557 376 D N -3.889 116.440 120.400 -0.117 0.000 3.076 376 D HA -0.230 4.411 4.640 0.001 0.000 0.218 376 D C -0.385 175.782 176.300 -0.221 0.000 1.156 376 D CA 1.057 54.956 54.000 -0.167 0.000 0.921 376 D CB -1.481 39.197 40.800 -0.202 0.000 1.113 376 D HN 0.541 nan 8.370 nan 0.000 0.418 377 W N 0.224 121.492 121.300 -0.053 0.000 2.316 377 W HA 0.357 5.018 4.660 0.001 0.000 0.311 377 W C 1.730 178.224 176.519 -0.043 0.000 1.217 377 W CA -0.921 56.402 57.345 -0.038 0.000 1.199 377 W CB 0.786 30.160 29.460 -0.143 0.000 1.202 377 W HN -0.279 nan 8.180 nan 0.000 0.528 378 V N 2.222 122.199 119.914 0.106 0.000 2.407 378 V HA -0.231 3.890 4.120 0.001 0.000 0.245 378 V C 1.242 177.370 176.094 0.057 0.000 1.041 378 V CA 0.592 62.843 62.300 -0.081 0.000 1.040 378 V CB -0.871 30.605 31.823 -0.577 0.000 0.671 378 V HN 0.889 nan 8.190 nan 0.000 0.455 379 c N 1.032 119.714 118.600 0.137 0.000 4.300 379 c HA -0.158 4.412 4.570 0.001 0.000 0.304 379 c C 1.678 175.612 174.090 -0.259 0.000 1.367 379 c CA 0.490 56.883 56.329 0.107 0.000 2.032 379 c CB -2.608 39.950 42.510 0.079 0.000 1.285 379 c HN 0.690 nan 8.230 nan 0.000 0.737 380 E N 0.449 120.361 120.200 -0.479 0.000 2.171 380 E HA -0.205 4.146 4.350 0.001 0.000 0.197 380 E C 1.932 178.274 176.600 -0.430 0.000 0.997 380 E CA 1.732 57.470 56.400 -1.104 0.000 0.810 380 E CB -0.176 29.084 29.700 -0.733 0.000 0.738 380 E HN 0.972 nan 8.360 nan 0.000 0.467 381 H N -0.173 118.800 119.070 -0.162 0.000 2.545 381 H HA 0.110 4.666 4.556 0.001 0.000 0.282 381 H C 1.364 176.816 175.328 0.206 0.000 1.020 381 H CA 0.901 57.003 56.048 0.090 0.000 1.243 381 H CB -0.001 29.761 29.762 0.001 0.000 1.377 381 H HN 0.084 nan 8.280 nan 0.000 0.581 382 R N -0.673 119.543 120.500 -0.473 0.000 2.290 382 R HA 0.053 4.394 4.340 0.001 0.000 0.197 382 R C -0.150 176.274 176.300 0.208 0.000 0.913 382 R CA -0.428 55.519 56.100 -0.256 0.000 1.040 382 R CB 0.254 30.217 30.300 -0.561 0.000 0.992 382 R HN 0.101 nan 8.270 nan 0.000 0.500 383 W N 2.147 123.474 121.300 0.046 0.000 2.322 383 W HA 0.056 4.717 4.660 0.001 0.000 0.328 383 W C 1.550 178.144 176.519 0.126 0.000 1.395 383 W CA -0.712 56.688 57.345 0.092 0.000 1.267 383 W CB -0.072 29.468 29.460 0.133 0.000 1.259 383 W HN 0.109 nan 8.180 nan 0.000 0.560 384 R N 1.922 122.595 120.500 0.287 0.000 2.119 384 R HA -0.303 4.038 4.340 0.001 0.000 0.246 384 R C 1.626 178.040 176.300 0.190 0.000 1.146 384 R CA 2.394 58.614 56.100 0.201 0.000 0.962 384 R CB 0.069 30.435 30.300 0.109 0.000 0.863 384 R HN 0.484 nan 8.270 nan 0.000 0.442 385 Q N -0.042 119.877 119.800 0.199 0.000 2.170 385 Q HA -0.057 4.284 4.340 0.001 0.000 0.203 385 Q C 1.971 178.118 176.000 0.245 0.000 0.976 385 Q CA 1.518 57.421 55.803 0.167 0.000 0.858 385 Q CB 0.006 28.862 28.738 0.197 0.000 0.907 385 Q HN 0.462 nan 8.270 nan 0.000 0.433 386 I N -0.440 120.319 120.570 0.315 0.000 2.429 386 I HA -0.123 4.047 4.170 0.001 0.000 0.247 386 I C 2.470 178.727 176.117 0.233 0.000 1.099 386 I CA 0.397 61.858 61.300 0.267 0.000 1.422 386 I CB -0.201 37.966 38.000 0.279 0.000 1.112 386 I HN 0.141 nan 8.210 nan 0.000 0.430 387 R N 1.468 122.149 120.500 0.302 0.000 2.103 387 R HA -0.214 4.127 4.340 0.001 0.000 0.242 387 R C 1.788 178.179 176.300 0.151 0.000 1.142 387 R CA 1.937 58.221 56.100 0.308 0.000 0.960 387 R CB -0.333 30.209 30.300 0.403 0.000 0.858 387 R HN 0.340 nan 8.270 nan 0.000 0.439 388 N N -0.040 118.752 118.700 0.154 0.000 2.331 388 N HA -0.089 4.652 4.740 0.001 0.000 0.180 388 N C 1.569 177.166 175.510 0.146 0.000 1.019 388 N CA 1.025 54.156 53.050 0.135 0.000 0.881 388 N CB -0.099 38.461 38.487 0.123 0.000 0.972 388 N HN 0.212 nan 8.380 nan 0.000 0.435 389 M N -0.108 119.562 119.600 0.117 0.000 2.349 389 M HA 0.045 4.526 4.480 0.001 0.000 0.266 389 M C 1.836 178.168 176.300 0.054 0.000 1.076 389 M CA 0.429 55.783 55.300 0.091 0.000 1.126 389 M CB -0.636 31.997 32.600 0.055 0.000 1.392 389 M HN -0.103 nan 8.290 nan 0.000 0.440 390 V N 1.106 120.995 119.914 -0.040 0.000 2.343 390 V HA -0.269 3.851 4.120 0.001 0.000 0.247 390 V C 2.207 178.192 176.094 -0.182 0.000 1.051 390 V CA 2.033 64.203 62.300 -0.217 0.000 1.036 390 V CB -0.938 30.544 31.823 -0.569 0.000 0.654 390 V HN 0.462 nan 8.190 nan 0.000 0.451 391 N N -0.016 118.616 118.700 -0.114 0.000 2.142 391 N HA -0.193 4.547 4.740 0.001 0.000 0.186 391 N C 1.679 177.108 175.510 -0.134 0.000 1.023 391 N CA 1.479 54.462 53.050 -0.112 0.000 0.852 391 N CB -0.385 38.071 38.487 -0.053 0.000 0.998 391 N HN 0.409 nan 8.380 nan 0.000 0.424 392 F N 1.650 121.480 119.950 -0.200 0.000 2.087 392 F HA -0.177 4.350 4.527 0.001 0.000 0.299 392 F C 2.519 178.209 175.800 -0.183 0.000 1.100 392 F CA 1.755 59.620 58.000 -0.224 0.000 1.226 392 F CB -0.429 38.565 39.000 -0.011 0.000 0.983 392 F HN 0.029 nan 8.300 nan 0.000 0.479 393 R N 0.373 120.994 120.500 0.201 0.000 2.091 393 R HA -0.201 4.140 4.340 0.001 0.000 0.238 393 R C 2.060 178.318 176.300 -0.069 0.000 1.136 393 R CA 2.107 58.263 56.100 0.092 0.000 0.959 393 R CB -0.552 29.758 30.300 0.018 0.000 0.856 393 R HN 0.490 nan 8.270 nan 0.000 0.437 394 N N -0.672 117.953 118.700 -0.126 0.000 2.084 394 N HA -0.148 4.593 4.740 0.001 0.000 0.190 394 N C 1.716 177.126 175.510 -0.168 0.000 1.030 394 N CA 1.300 54.265 53.050 -0.142 0.000 0.849 394 N CB 0.036 38.435 38.487 -0.146 0.000 1.012 394 N HN 0.002 nan 8.380 nan 0.000 0.423 395 V N 1.093 120.849 119.914 -0.264 0.000 2.407 395 V HA -0.140 3.980 4.120 0.001 0.000 0.248 395 V C 2.006 177.945 176.094 -0.257 0.000 1.055 395 V CA 1.498 63.612 62.300 -0.310 0.000 1.049 395 V CB -0.308 31.169 31.823 -0.576 0.000 0.662 395 V HN 0.370 nan 8.190 nan 0.000 0.455 396 V N -2.276 117.468 119.914 -0.283 0.000 3.647 396 V HA 0.261 4.381 4.120 0.001 0.000 0.279 396 V C 0.631 176.675 176.094 -0.084 0.000 1.314 396 V CA -0.234 61.946 62.300 -0.200 0.000 1.125 396 V CB -0.313 31.346 31.823 -0.274 0.000 0.907 396 V HN 0.448 nan 8.190 nan 0.000 0.434 397 D N 1.746 122.099 120.400 -0.078 0.000 2.586 397 D HA 0.343 4.984 4.640 0.001 0.000 0.234 397 D C 1.504 177.791 176.300 -0.022 0.000 1.132 397 D CA 2.170 56.145 54.000 -0.042 0.000 0.860 397 D CB 0.396 41.165 40.800 -0.051 0.000 1.159 397 D HN 0.665 nan 8.370 nan 0.000 0.490 398 G N 3.044 111.843 108.800 -0.002 0.000 2.217 398 G HA2 -0.249 3.711 3.960 0.001 0.000 0.246 398 G HA3 -0.249 3.711 3.960 0.001 0.000 0.246 398 G C 0.198 175.109 174.900 0.019 0.000 0.990 398 G CA 0.097 45.201 45.100 0.007 0.000 0.627 398 G HN 0.587 nan 8.290 nan 0.000 0.522 399 Q N 1.504 121.317 119.800 0.023 0.000 2.293 399 Q HA 0.422 4.762 4.340 0.001 0.000 0.251 399 Q C -2.203 173.843 176.000 0.076 0.000 0.930 399 Q CA -1.445 54.383 55.803 0.041 0.000 0.893 399 Q CB 1.586 30.342 28.738 0.030 0.000 1.215 399 Q HN 0.384 nan 8.270 nan 0.000 0.425 400 P HA 0.100 nan 4.420 nan 0.000 0.277 400 P C -0.530 176.882 177.300 0.187 0.000 1.240 400 P CA -0.502 62.674 63.100 0.127 0.000 0.798 400 P CB 0.421 32.187 31.700 0.110 0.000 0.979 401 F N 3.014 122.981 119.950 0.029 0.000 2.571 401 F HA 0.257 4.784 4.527 0.001 0.000 0.384 401 F C 0.329 176.210 175.800 0.134 0.000 1.058 401 F CA 1.183 59.209 58.000 0.044 0.000 1.200 401 F CB -0.006 38.913 39.000 -0.135 0.000 1.077 401 F HN 0.451 nan 8.300 nan 0.000 0.558 402 T N 1.977 116.415 114.554 -0.194 0.000 2.762 402 T HA 0.301 4.651 4.350 0.001 0.000 0.301 402 T C -0.317 174.367 174.700 -0.026 0.000 1.299 402 T CA -1.032 61.020 62.100 -0.080 0.000 1.005 402 T CB 1.442 70.344 68.868 0.057 0.000 1.377 402 T HN 0.573 nan 8.240 nan 0.000 0.504 403 N N 0.180 118.939 118.700 0.098 0.000 2.735 403 N HA -0.128 4.612 4.740 0.001 0.000 0.248 403 N C -0.390 175.292 175.510 0.287 0.000 1.083 403 N CA 0.714 53.887 53.050 0.206 0.000 0.703 403 N CB -0.909 37.721 38.487 0.238 0.000 1.005 403 N HN 0.761 nan 8.380 nan 0.000 0.550 404 W N 1.160 122.488 121.300 0.047 0.000 2.223 404 W HA 0.227 4.887 4.660 0.001 0.000 0.334 404 W C -0.341 176.339 176.519 0.268 0.000 1.334 404 W CA 0.107 57.533 57.345 0.135 0.000 1.246 404 W CB 0.154 29.684 29.460 0.118 0.000 1.184 404 W HN 0.210 nan 8.180 nan 0.000 0.563 405 Y N 5.620 125.524 120.300 -0.661 0.000 2.477 405 Y HA 0.401 4.952 4.550 0.001 0.000 0.347 405 Y C -1.387 174.092 175.900 -0.701 0.000 0.981 405 Y CA -0.861 57.001 58.100 -0.398 0.000 1.033 405 Y CB 1.413 39.822 38.460 -0.086 0.000 1.245 405 Y HN 0.520 nan 8.280 nan 0.000 0.455 406 D N 1.935 121.563 120.400 -1.287 0.000 2.661 406 D HA 0.200 4.841 4.640 0.001 0.000 0.228 406 D C -1.007 174.667 176.300 -1.042 0.000 1.210 406 D CA -0.844 52.593 54.000 -0.937 0.000 0.826 406 D CB 1.091 41.858 40.800 -0.055 0.000 1.542 406 D HN 0.457 nan 8.370 nan 0.000 0.447 407 N N 1.080 119.447 118.700 -0.555 0.000 2.276 407 N HA 0.170 4.911 4.740 0.001 0.000 0.212 407 N C 1.324 176.799 175.510 -0.058 0.000 1.127 407 N CA 0.231 53.161 53.050 -0.199 0.000 0.834 407 N CB 0.270 38.736 38.487 -0.036 0.000 1.014 407 N HN 1.015 nan 8.380 nan 0.000 0.491 408 G N -1.398 107.365 108.800 -0.061 0.000 2.162 408 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 408 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 408 G C 0.369 175.268 174.900 -0.000 0.000 0.976 408 G CA 0.761 45.869 45.100 0.013 0.000 0.655 408 G HN 0.659 nan 8.290 nan 0.000 0.533 409 S N -1.134 114.545 115.700 -0.034 0.000 3.697 409 S HA 0.425 4.896 4.470 0.001 0.000 0.184 409 S C 0.763 175.270 174.600 -0.155 0.000 1.045 409 S CA 0.548 58.713 58.200 -0.059 0.000 1.330 409 S CB 0.293 63.541 63.200 0.080 0.000 1.393 409 S HN 0.233 nan 8.310 nan 0.000 0.855 410 N N 1.404 119.979 118.700 -0.209 0.000 2.365 410 N HA 0.279 5.020 4.740 0.001 0.000 0.257 410 N C -1.276 174.092 175.510 -0.237 0.000 1.287 410 N CA 0.061 52.969 53.050 -0.236 0.000 0.882 410 N CB 1.164 39.495 38.487 -0.260 0.000 1.250 410 N HN 0.443 nan 8.380 nan 0.000 0.507 411 Q N 1.509 121.145 119.800 -0.273 0.000 2.368 411 Q HA 0.457 4.798 4.340 0.001 0.000 0.263 411 Q C -0.400 175.506 176.000 -0.158 0.000 1.009 411 Q CA -0.564 55.034 55.803 -0.342 0.000 0.818 411 Q CB 2.401 30.591 28.738 -0.913 0.000 1.239 411 Q HN 0.084 nan 8.270 nan 0.000 0.464 412 V N -1.199 118.759 119.914 0.074 0.000 3.130 412 V HA 1.056 5.176 4.120 0.001 0.000 0.310 412 V C -1.313 174.825 176.094 0.072 0.000 1.158 412 V CA -0.865 61.398 62.300 -0.063 0.000 1.029 412 V CB 1.976 33.658 31.823 -0.236 0.000 1.057 412 V HN 0.746 nan 8.190 nan 0.000 0.436 413 A N 1.815 124.489 122.820 -0.244 0.000 2.612 413 A HA 1.034 5.354 4.320 0.001 0.000 0.293 413 A C -1.219 176.177 177.584 -0.314 0.000 1.075 413 A CA -0.182 51.653 52.037 -0.337 0.000 0.680 413 A CB 1.769 20.543 19.000 -0.377 0.000 1.279 413 A HN 2.451 nan 8.150 nan 0.000 0.411 414 F N -1.181 118.411 119.950 -0.596 0.000 2.741 414 F HA 0.828 5.355 4.527 0.001 0.000 0.311 414 F C -0.066 175.544 175.800 -0.317 0.000 1.149 414 F CA -0.330 57.481 58.000 -0.315 0.000 0.930 414 F CB 0.780 39.724 39.000 -0.094 0.000 1.312 414 F HN 1.102 nan 8.300 nan 0.000 0.450 415 G N 0.577 109.516 108.800 0.232 0.000 2.568 415 G HA2 0.680 4.640 3.960 0.001 0.000 0.313 415 G HA3 0.680 4.640 3.960 0.001 0.000 0.313 415 G C -1.513 173.561 174.900 0.290 0.000 1.227 415 G CA -1.275 44.012 45.100 0.312 0.000 0.979 415 G HN 0.598 nan 8.290 nan 0.000 0.486 416 R N 0.497 121.130 120.500 0.222 0.000 2.352 416 R HA 0.462 4.803 4.340 0.001 0.000 0.304 416 R C 0.910 177.265 176.300 0.091 0.000 1.104 416 R CA 0.051 56.258 56.100 0.177 0.000 0.991 416 R CB 0.441 30.839 30.300 0.163 0.000 1.140 416 R HN 1.194 nan 8.270 nan 0.000 0.540 417 G N 3.805 112.660 108.800 0.091 0.000 2.634 417 G HA2 -0.445 3.515 3.960 0.001 0.000 0.309 417 G HA3 -0.445 3.515 3.960 0.001 0.000 0.309 417 G C 0.344 175.270 174.900 0.044 0.000 1.265 417 G CA 0.718 45.853 45.100 0.059 0.000 0.998 417 G HN 0.802 nan 8.290 nan 0.000 0.551 418 N N -0.115 118.599 118.700 0.024 0.000 2.273 418 N HA 0.340 5.081 4.740 0.001 0.000 0.231 418 N C 1.406 176.921 175.510 0.007 0.000 1.134 418 N CA -0.179 52.879 53.050 0.014 0.000 0.856 418 N CB 0.383 38.880 38.487 0.015 0.000 1.068 418 N HN 0.500 nan 8.380 nan 0.000 0.510 419 R N -0.337 120.157 120.500 -0.011 0.000 2.394 419 R HA 0.251 4.591 4.340 0.001 0.000 0.220 419 R C 0.149 176.387 176.300 -0.104 0.000 0.887 419 R CA 0.155 56.230 56.100 -0.042 0.000 1.034 419 R CB 1.439 31.693 30.300 -0.077 0.000 1.179 419 R HN 0.238 nan 8.270 nan 0.000 0.561 420 G N 0.433 109.171 108.800 -0.102 0.000 2.673 420 G HA2 0.508 4.469 3.960 0.001 0.000 0.292 420 G HA3 0.508 4.469 3.960 0.001 0.000 0.292 420 G C -2.098 172.899 174.900 0.162 0.000 1.450 420 G CA -0.378 44.633 45.100 -0.149 0.000 0.837 420 G HN 0.001 nan 8.290 nan 0.000 0.505 421 F N 0.585 120.575 119.950 0.068 0.000 2.608 421 F HA 0.820 5.347 4.527 0.001 0.000 0.309 421 F C -1.186 174.547 175.800 -0.112 0.000 1.103 421 F CA -1.063 56.903 58.000 -0.057 0.000 0.954 421 F CB 2.039 40.962 39.000 -0.129 0.000 1.267 421 F HN 0.534 nan 8.300 nan 0.000 0.444 422 I N 5.038 125.014 120.570 -0.991 0.000 2.802 422 I HA 0.753 4.924 4.170 0.001 0.000 0.298 422 I C -1.854 173.581 176.117 -1.136 0.000 1.176 422 I CA -0.796 59.954 61.300 -0.916 0.000 1.025 422 I CB 2.157 39.622 38.000 -0.892 0.000 1.243 422 I HN 0.390 nan 8.210 nan 0.000 0.424 423 V N 6.459 125.808 119.914 -0.942 0.000 2.686 423 V HA 0.526 4.647 4.120 0.001 0.000 0.306 423 V C -1.187 174.575 176.094 -0.554 0.000 1.065 423 V CA -0.510 61.344 62.300 -0.744 0.000 0.894 423 V CB 1.849 33.065 31.823 -1.012 0.000 1.004 423 V HN 0.472 nan 8.190 nan 0.000 0.424 424 F N 2.479 122.397 119.950 -0.054 0.000 2.551 424 F HA 0.590 5.117 4.527 0.001 0.000 0.316 424 F C 0.140 176.040 175.800 0.167 0.000 1.089 424 F CA -0.635 57.396 58.000 0.051 0.000 0.915 424 F CB 2.073 41.066 39.000 -0.013 0.000 1.186 424 F HN 0.468 nan 8.300 nan 0.000 0.456 425 N N 1.954 120.834 118.700 0.300 0.000 2.569 425 N HA 0.195 4.936 4.740 0.001 0.000 0.254 425 N C -0.866 174.657 175.510 0.022 0.000 1.004 425 N CA -0.241 52.917 53.050 0.179 0.000 0.904 425 N CB 0.492 39.100 38.487 0.202 0.000 1.165 425 N HN 0.544 nan 8.380 nan 0.000 0.513 426 N N 2.056 120.704 118.700 -0.087 0.000 2.328 426 N HA 0.183 4.923 4.740 0.001 0.000 0.247 426 N C -1.098 174.257 175.510 -0.258 0.000 1.165 426 N CA -0.191 52.773 53.050 -0.143 0.000 0.873 426 N CB 0.309 38.704 38.487 -0.152 0.000 1.125 426 N HN 0.496 nan 8.380 nan 0.000 0.513 427 D N -0.702 119.443 120.400 -0.426 0.000 2.440 427 D HA 0.191 4.832 4.640 0.001 0.000 0.258 427 D C -0.326 175.638 176.300 -0.560 0.000 1.092 427 D CA -0.169 53.397 54.000 -0.724 0.000 1.016 427 D CB 0.959 40.815 40.800 -1.574 0.000 1.141 427 D HN 0.085 nan 8.370 nan 0.000 0.552 428 D N 0.886 121.031 120.400 -0.425 0.000 2.690 428 D HA 0.177 4.818 4.640 0.001 0.000 0.236 428 D C -0.227 176.228 176.300 0.258 0.000 1.218 428 D CA -0.111 53.886 54.000 -0.005 0.000 0.829 428 D CB -0.038 40.849 40.800 0.144 0.000 1.009 428 D HN 0.302 nan 8.370 nan 0.000 0.482 429 W N -1.614 119.705 121.300 0.032 0.000 3.005 429 W HA 0.381 5.042 4.660 0.001 0.000 0.343 429 W C -0.635 175.926 176.519 0.070 0.000 1.243 429 W CA -1.022 56.348 57.345 0.043 0.000 1.186 429 W CB -0.148 29.331 29.460 0.032 0.000 1.453 429 W HN -0.404 nan 8.180 nan 0.000 0.575 430 T N 2.690 117.443 114.554 0.332 0.000 2.919 430 T HA 0.190 4.540 4.350 0.001 0.000 0.302 430 T C -1.136 173.754 174.700 0.317 0.000 1.031 430 T CA 0.262 62.508 62.100 0.244 0.000 1.127 430 T CB 0.266 69.266 68.868 0.219 0.000 0.952 430 T HN 0.334 nan 8.240 nan 0.000 0.540 431 F N 3.369 123.356 119.950 0.062 0.000 2.308 431 F HA 0.525 5.053 4.527 0.001 0.000 0.370 431 F C -0.017 175.811 175.800 0.046 0.000 1.100 431 F CA -1.616 56.416 58.000 0.054 0.000 1.108 431 F CB 0.500 39.490 39.000 -0.017 0.000 1.293 431 F HN 0.402 nan 8.300 nan 0.000 0.478 432 S N 7.606 123.565 115.700 0.433 0.000 2.745 432 S HA 0.790 5.261 4.470 0.001 0.000 0.283 432 S C -1.694 173.031 174.600 0.208 0.000 1.170 432 S CA -0.400 57.921 58.200 0.201 0.000 1.119 432 S CB 0.278 63.631 63.200 0.256 0.000 1.035 432 S HN 0.676 nan 8.310 nan 0.000 0.483 433 L N 3.616 124.823 121.223 -0.027 0.000 2.653 433 L HA 0.572 4.913 4.340 0.001 0.000 0.257 433 L C -0.701 176.157 176.870 -0.020 0.000 0.969 433 L CA -0.022 54.862 54.840 0.072 0.000 0.869 433 L CB 2.160 44.324 42.059 0.176 0.000 1.439 433 L HN 0.513 nan 8.230 nan 0.000 0.414 434 T N 4.021 118.633 114.554 0.097 0.000 2.771 434 T HA 0.697 5.048 4.350 0.001 0.000 0.291 434 T C -0.443 174.279 174.700 0.036 0.000 0.954 434 T CA -0.100 62.051 62.100 0.084 0.000 1.045 434 T CB 0.248 69.175 68.868 0.098 0.000 0.917 434 T HN 0.379 nan 8.240 nan 0.000 0.484 435 L N 2.565 123.827 121.223 0.065 0.000 2.341 435 L HA 0.518 4.859 4.340 0.001 0.000 0.267 435 L C -0.051 176.772 176.870 -0.078 0.000 1.009 435 L CA -1.328 53.519 54.840 0.012 0.000 0.819 435 L CB 2.066 44.169 42.059 0.072 0.000 1.323 435 L HN 0.407 nan 8.230 nan 0.000 0.425 436 Q N 0.664 120.404 119.800 -0.100 0.000 2.296 436 Q HA 0.106 4.446 4.340 0.001 0.000 0.263 436 Q C 0.656 176.355 176.000 -0.501 0.000 1.026 436 Q CA 0.270 55.964 55.803 -0.182 0.000 0.912 436 Q CB 1.134 29.837 28.738 -0.059 0.000 1.198 436 Q HN 0.697 nan 8.270 nan 0.000 0.407 437 T N 0.358 114.500 114.554 -0.687 0.000 3.057 437 T HA 0.246 4.597 4.350 0.001 0.000 0.254 437 T C 1.323 175.699 174.700 -0.540 0.000 1.094 437 T CA 0.372 61.708 62.100 -1.272 0.000 1.088 437 T CB -0.058 68.252 68.868 -0.930 0.000 0.934 437 T HN 0.973 nan 8.240 nan 0.000 0.497 438 G N 1.397 110.035 108.800 -0.269 0.000 2.189 438 G HA2 -0.223 3.738 3.960 0.001 0.000 0.267 438 G HA3 -0.223 3.738 3.960 0.001 0.000 0.267 438 G C -0.043 174.805 174.900 -0.086 0.000 0.975 438 G CA 0.514 45.549 45.100 -0.108 0.000 0.644 438 G HN 0.661 nan 8.290 nan 0.000 0.537 439 L N 0.534 121.671 121.223 -0.143 0.000 2.360 439 L HA 0.539 4.880 4.340 0.001 0.000 0.271 439 L C -1.847 175.020 176.870 -0.006 0.000 1.057 439 L CA -2.503 52.285 54.840 -0.088 0.000 0.803 439 L CB 0.985 42.895 42.059 -0.248 0.000 1.207 439 L HN -0.171 nan 8.230 nan 0.000 0.445 440 P HA 0.048 nan 4.420 nan 0.000 0.267 440 P C -0.554 176.842 177.300 0.159 0.000 1.200 440 P CA -0.262 62.897 63.100 0.098 0.000 0.772 440 P CB 0.505 32.264 31.700 0.100 0.000 0.855 441 A N 2.274 125.148 122.820 0.090 0.000 2.555 441 A HA 0.485 4.806 4.320 0.001 0.000 0.233 441 A C 0.866 178.510 177.584 0.099 0.000 1.060 441 A CA 1.255 53.348 52.037 0.094 0.000 0.759 441 A CB -0.888 18.137 19.000 0.043 0.000 0.995 441 A HN 0.784 nan 8.150 nan 0.000 0.506 442 G N -0.274 108.595 108.800 0.115 0.000 2.341 442 G HA2 0.452 4.412 3.960 0.001 0.000 0.293 442 G HA3 0.452 4.412 3.960 0.001 0.000 0.293 442 G C -0.799 174.090 174.900 -0.017 0.000 1.298 442 G CA -0.169 44.914 45.100 -0.028 0.000 0.868 442 G HN 0.956 nan 8.290 nan 0.000 0.540 443 T N 1.049 115.489 114.554 -0.189 0.000 2.749 443 T HA 0.622 4.972 4.350 0.001 0.000 0.287 443 T C -1.248 173.249 174.700 -0.338 0.000 0.970 443 T CA 0.141 62.092 62.100 -0.248 0.000 0.980 443 T CB 0.571 69.307 68.868 -0.219 0.000 0.924 443 T HN 0.361 nan 8.240 nan 0.000 0.456 444 Y N 0.820 120.949 120.300 -0.284 0.000 2.393 444 Y HA 0.399 4.949 4.550 0.001 0.000 0.341 444 Y C 0.505 176.265 175.900 -0.233 0.000 0.988 444 Y CA -1.182 56.787 58.100 -0.218 0.000 1.078 444 Y CB 0.939 39.300 38.460 -0.166 0.000 1.203 444 Y HN 0.581 nan 8.280 nan 0.000 0.453 445 c N 2.485 121.045 118.600 -0.068 0.000 2.585 445 c HA 0.125 4.696 4.570 0.001 0.000 0.406 445 c C 0.452 174.494 174.090 -0.080 0.000 1.312 445 c CA -0.711 55.561 56.329 -0.095 0.000 1.924 445 c CB -0.641 41.808 42.510 -0.101 0.000 2.578 445 c HN 0.770 nan 8.230 nan 0.000 0.580 446 D N 1.776 122.126 120.400 -0.082 0.000 2.371 446 D HA 0.153 4.794 4.640 0.001 0.000 0.256 446 D C 0.957 177.199 176.300 -0.095 0.000 1.193 446 D CA -0.268 53.682 54.000 -0.084 0.000 0.881 446 D CB 0.941 41.685 40.800 -0.094 0.000 1.143 446 D HN 0.441 nan 8.370 nan 0.000 0.473 447 V N 2.573 122.437 119.914 -0.084 0.000 3.623 447 V HA 0.033 4.154 4.120 0.001 0.000 0.271 447 V C 1.539 177.582 176.094 -0.085 0.000 1.248 447 V CA 0.165 62.435 62.300 -0.050 0.000 1.156 447 V CB -0.600 31.245 31.823 0.038 0.000 0.870 447 V HN 0.501 nan 8.190 nan 0.000 0.453 448 I N 2.406 122.856 120.570 -0.199 0.000 2.296 448 I HA -0.065 4.105 4.170 0.001 0.000 0.242 448 I C 2.884 178.869 176.117 -0.221 0.000 1.087 448 I CA 2.037 63.141 61.300 -0.325 0.000 1.393 448 I CB -1.318 36.253 38.000 -0.714 0.000 1.093 448 I HN 0.589 nan 8.210 nan 0.000 0.421 449 S N -0.107 115.477 115.700 -0.192 0.000 2.406 449 S HA 0.149 4.620 4.470 0.001 0.000 0.228 449 S C 1.166 175.718 174.600 -0.079 0.000 1.020 449 S CA 0.672 58.796 58.200 -0.127 0.000 0.965 449 S CB -0.300 62.834 63.200 -0.110 0.000 0.798 449 S HN 0.471 nan 8.310 nan 0.000 0.488 450 G N -0.266 108.491 108.800 -0.070 0.000 2.772 450 G HA2 0.551 4.512 3.960 0.001 0.000 0.284 450 G HA3 0.551 4.512 3.960 0.001 0.000 0.284 450 G C -2.203 172.679 174.900 -0.029 0.000 1.217 450 G CA -0.582 44.492 45.100 -0.042 0.000 0.831 450 G HN 0.245 nan 8.290 nan 0.000 0.523 451 D N -0.244 120.142 120.400 -0.024 0.000 2.661 451 D HA 0.276 4.917 4.640 0.001 0.000 0.228 451 D C -1.074 175.210 176.300 -0.027 0.000 1.210 451 D CA -0.581 53.411 54.000 -0.014 0.000 0.826 451 D CB 2.984 43.790 40.800 0.009 0.000 1.542 451 D HN 0.373 nan 8.370 nan 0.000 0.447 452 K N 1.831 122.213 120.400 -0.030 0.000 2.297 452 K HA 0.461 4.782 4.320 0.001 0.000 0.286 452 K C -0.907 175.681 176.600 -0.021 0.000 1.053 452 K CA -0.062 56.201 56.287 -0.039 0.000 0.940 452 K CB 0.429 32.898 32.500 -0.052 0.000 1.019 452 K HN 0.379 nan 8.250 nan 0.000 0.475 453 I N 3.859 124.415 120.570 -0.023 0.000 2.571 453 I HA 0.114 4.284 4.170 0.001 0.000 0.289 453 I C -0.492 175.614 176.117 -0.018 0.000 1.115 453 I CA -1.055 60.237 61.300 -0.014 0.000 1.045 453 I CB 1.893 39.890 38.000 -0.006 0.000 1.238 453 I HN 0.764 nan 8.210 nan 0.000 0.424 454 N N 4.757 123.448 118.700 -0.016 0.000 2.699 454 N HA -0.210 4.531 4.740 0.001 0.000 0.256 454 N C 0.967 176.463 175.510 -0.024 0.000 0.993 454 N CA 1.426 54.465 53.050 -0.017 0.000 0.759 454 N CB -0.642 37.837 38.487 -0.012 0.000 0.906 454 N HN 1.225 nan 8.380 nan 0.000 0.541 455 G N -1.592 107.188 108.800 -0.032 0.000 2.184 455 G HA2 -0.367 3.594 3.960 0.001 0.000 0.264 455 G HA3 -0.367 3.594 3.960 0.001 0.000 0.264 455 G C 0.137 175.010 174.900 -0.045 0.000 0.975 455 G CA 0.775 45.851 45.100 -0.041 0.000 0.642 455 G HN 0.774 nan 8.290 nan 0.000 0.536 456 N N -1.363 117.312 118.700 -0.042 0.000 2.831 456 N HA 0.707 5.448 4.740 0.001 0.000 0.276 456 N C -0.673 174.807 175.510 -0.049 0.000 1.416 456 N CA 0.005 53.028 53.050 -0.044 0.000 0.799 456 N CB 1.204 39.674 38.487 -0.030 0.000 1.554 456 N HN 0.248 nan 8.380 nan 0.000 0.541 457 c N 0.160 118.728 118.600 -0.052 0.000 2.382 457 c HA 0.461 5.031 4.570 0.001 0.000 0.327 457 c C 1.802 175.869 174.090 -0.039 0.000 1.250 457 c CA -0.430 55.867 56.329 -0.055 0.000 1.707 457 c CB 0.779 43.243 42.510 -0.076 0.000 2.272 457 c HN 0.853 nan 8.230 nan 0.000 0.506 458 T N -0.503 114.031 114.554 -0.033 0.000 3.043 458 T HA 0.194 4.545 4.350 0.001 0.000 0.263 458 T C 0.945 175.627 174.700 -0.030 0.000 1.094 458 T CA 0.963 63.048 62.100 -0.025 0.000 1.127 458 T CB 0.071 68.928 68.868 -0.017 0.000 0.905 458 T HN 0.854 nan 8.240 nan 0.000 0.490 459 G N 0.848 109.623 108.800 -0.041 0.000 3.175 459 G HA2 0.656 4.617 3.960 0.001 0.000 0.153 459 G HA3 0.656 4.617 3.960 0.001 0.000 0.153 459 G C -0.572 174.297 174.900 -0.052 0.000 1.216 459 G CA -1.245 43.827 45.100 -0.047 0.000 0.943 459 G HN 0.411 nan 8.290 nan 0.000 0.611 460 I N 1.063 121.596 120.570 -0.062 0.000 2.634 460 I HA 0.176 4.346 4.170 0.001 0.000 0.284 460 I C 0.088 176.148 176.117 -0.096 0.000 1.124 460 I CA 0.327 61.589 61.300 -0.063 0.000 1.417 460 I CB 0.954 38.916 38.000 -0.064 0.000 1.396 460 I HN 0.151 nan 8.210 nan 0.000 0.571 461 K N 6.445 126.772 120.400 -0.121 0.000 2.182 461 K HA 0.587 4.908 4.320 0.001 0.000 0.262 461 K C -1.007 175.374 176.600 -0.365 0.000 0.957 461 K CA -0.751 55.375 56.287 -0.268 0.000 0.842 461 K CB 1.997 34.282 32.500 -0.358 0.000 1.099 461 K HN 0.342 nan 8.250 nan 0.000 0.438 462 I N 3.243 123.569 120.570 -0.407 0.000 2.404 462 I HA 0.243 4.414 4.170 0.001 0.000 0.293 462 I C -0.734 175.109 176.117 -0.457 0.000 0.992 462 I CA -0.838 60.236 61.300 -0.377 0.000 1.149 462 I CB 1.076 38.905 38.000 -0.285 0.000 1.315 462 I HN 0.535 nan 8.210 nan 0.000 0.446 463 Y N 4.857 125.080 120.300 -0.127 0.000 2.417 463 Y HA 0.393 4.944 4.550 0.001 0.000 0.336 463 Y C 0.254 176.105 175.900 -0.082 0.000 0.961 463 Y CA -0.806 57.256 58.100 -0.064 0.000 1.215 463 Y CB 1.354 39.772 38.460 -0.071 0.000 1.120 463 Y HN 0.174 nan 8.280 nan 0.000 0.499 464 V N 4.039 124.005 119.914 0.088 0.000 2.432 464 V HA 0.297 4.418 4.120 0.001 0.000 0.275 464 V C 0.344 176.472 176.094 0.057 0.000 1.043 464 V CA -0.683 61.632 62.300 0.026 0.000 0.925 464 V CB 0.922 32.755 31.823 0.016 0.000 0.985 464 V HN 0.883 nan 8.190 nan 0.000 0.466 465 S N 2.580 118.289 115.700 0.015 0.000 2.671 465 S HA 0.233 4.703 4.470 0.001 0.000 0.272 465 S C 0.764 175.370 174.600 0.009 0.000 1.174 465 S CA -0.493 57.716 58.200 0.015 0.000 1.004 465 S CB 0.728 63.926 63.200 -0.002 0.000 1.077 465 S HN 0.629 nan 8.310 nan 0.000 0.553 466 D N 1.254 121.657 120.400 0.005 0.000 2.182 466 D HA -0.073 4.568 4.640 0.001 0.000 0.201 466 D C 1.131 177.430 176.300 -0.002 0.000 0.986 466 D CA 1.574 55.577 54.000 0.004 0.000 0.847 466 D CB -0.465 40.336 40.800 0.001 0.000 0.942 466 D HN 0.811 nan 8.370 nan 0.000 0.467 467 D N -1.447 118.948 120.400 -0.009 0.000 2.328 467 D HA 0.141 4.782 4.640 0.001 0.000 0.226 467 D C 1.516 177.799 176.300 -0.029 0.000 1.066 467 D CA 0.662 54.654 54.000 -0.013 0.000 0.861 467 D CB -0.204 40.590 40.800 -0.010 0.000 0.912 467 D HN 0.180 nan 8.370 nan 0.000 0.521 468 G N 0.026 108.803 108.800 -0.037 0.000 2.179 468 G HA2 -0.310 3.650 3.960 0.001 0.000 0.260 468 G HA3 -0.310 3.650 3.960 0.001 0.000 0.260 468 G C 0.175 175.002 174.900 -0.122 0.000 0.977 468 G CA 0.247 45.301 45.100 -0.076 0.000 0.641 468 G HN 0.469 nan 8.290 nan 0.000 0.533 469 K N 0.392 120.741 120.400 -0.085 0.000 2.098 469 K HA 0.754 5.074 4.320 0.001 0.000 0.261 469 K C 0.076 176.619 176.600 -0.095 0.000 0.987 469 K CA 0.208 56.441 56.287 -0.090 0.000 0.916 469 K CB 1.878 34.352 32.500 -0.044 0.000 1.039 469 K HN 0.791 nan 8.250 nan 0.000 0.455 470 A N 1.471 124.223 122.820 -0.112 0.000 2.574 470 A HA 0.299 4.620 4.320 0.001 0.000 0.297 470 A C -1.747 175.681 177.584 -0.260 0.000 1.062 470 A CA -0.745 51.164 52.037 -0.214 0.000 0.686 470 A CB 0.979 19.742 19.000 -0.395 0.000 1.285 470 A HN 0.865 nan 8.150 nan 0.000 0.403 471 H N 0.373 119.227 119.070 -0.360 0.000 2.548 471 H HA 0.687 5.244 4.556 0.001 0.000 0.331 471 H C -1.495 173.501 175.328 -0.554 0.000 1.093 471 H CA 0.132 56.010 56.048 -0.283 0.000 1.367 471 H CB 0.371 30.043 29.762 -0.150 0.000 1.455 471 H HN 0.414 nan 8.280 nan 0.000 0.519 472 F N 2.227 121.698 119.950 -0.798 0.000 2.540 472 F HA 0.366 4.894 4.527 0.001 0.000 0.317 472 F C -0.191 175.167 175.800 -0.736 0.000 1.104 472 F CA -0.772 56.858 58.000 -0.618 0.000 0.913 472 F CB 2.234 40.893 39.000 -0.569 0.000 1.170 472 F HN 0.465 nan 8.300 nan 0.000 0.450 473 S N 4.368 119.946 115.700 -0.203 0.000 2.789 473 S HA 0.718 5.188 4.470 0.001 0.000 0.286 473 S C -1.185 173.402 174.600 -0.022 0.000 1.153 473 S CA -0.355 57.802 58.200 -0.070 0.000 1.084 473 S CB 0.133 63.394 63.200 0.101 0.000 1.036 473 S HN 0.530 nan 8.310 nan 0.000 0.484 474 I N 3.705 124.272 120.570 -0.005 0.000 2.439 474 I HA 0.306 4.476 4.170 0.001 0.000 0.283 474 I C 0.340 176.504 176.117 0.078 0.000 1.023 474 I CA -0.607 60.706 61.300 0.022 0.000 1.100 474 I CB 1.926 39.922 38.000 -0.006 0.000 1.238 474 I HN 0.566 nan 8.210 nan 0.000 0.445 475 S N 4.758 120.496 115.700 0.064 0.000 2.562 475 S HA 0.046 4.516 4.470 0.001 0.000 0.281 475 S C 1.496 176.130 174.600 0.058 0.000 1.333 475 S CA -0.465 57.778 58.200 0.073 0.000 1.052 475 S CB 0.536 63.772 63.200 0.060 0.000 0.884 475 S HN 0.763 nan 8.310 nan 0.000 0.506 476 N N 2.757 121.489 118.700 0.053 0.000 2.453 476 N HA -0.119 4.622 4.740 0.001 0.000 0.183 476 N C 1.311 176.839 175.510 0.030 0.000 1.041 476 N CA 1.187 54.248 53.050 0.020 0.000 0.900 476 N CB -0.544 37.942 38.487 -0.002 0.000 0.961 476 N HN 0.597 nan 8.380 nan 0.000 0.443 477 S N -0.818 114.908 115.700 0.042 0.000 2.575 477 S HA 0.404 4.875 4.470 0.001 0.000 0.215 477 S C 0.868 175.487 174.600 0.032 0.000 0.966 477 S CA -0.404 57.818 58.200 0.037 0.000 0.911 477 S CB -0.196 63.028 63.200 0.039 0.000 0.780 477 S HN 0.492 nan 8.310 nan 0.000 0.514 478 A N 1.543 124.383 122.820 0.033 0.000 2.498 478 A HA 0.246 4.566 4.320 0.001 0.000 0.239 478 A C 1.154 178.758 177.584 0.032 0.000 1.068 478 A CA -0.115 51.938 52.037 0.027 0.000 0.766 478 A CB -0.025 18.989 19.000 0.024 0.000 1.003 478 A HN 0.554 nan 8.150 nan 0.000 0.497 479 E N 0.689 120.901 120.200 0.019 0.000 2.110 479 E HA -0.137 4.214 4.350 0.001 0.000 0.193 479 E C -0.457 176.175 176.600 0.052 0.000 0.988 479 E CA 1.181 57.595 56.400 0.022 0.000 0.804 479 E CB 0.147 29.845 29.700 -0.003 0.000 0.745 479 E HN 0.733 nan 8.360 nan 0.000 0.458 480 D N 0.454 120.880 120.400 0.044 0.000 2.375 480 D HA 0.118 4.759 4.640 0.001 0.000 0.259 480 D C -2.355 174.003 176.300 0.097 0.000 1.235 480 D CA -1.303 52.758 54.000 0.101 0.000 0.924 480 D CB 1.587 42.367 40.800 -0.034 0.000 1.143 480 D HN 0.118 nan 8.370 nan 0.000 0.529 481 P HA 0.119 nan 4.420 nan 0.000 0.237 481 P C -0.816 176.629 177.300 0.242 0.000 1.723 481 P CA -0.206 62.990 63.100 0.160 0.000 0.882 481 P CB -0.838 30.941 31.700 0.132 0.000 1.810 482 F N -1.192 118.671 119.950 -0.144 0.000 2.668 482 F HA 0.685 5.213 4.527 0.001 0.000 0.309 482 F C -1.591 174.011 175.800 -0.330 0.000 1.117 482 F CA -2.154 55.636 58.000 -0.350 0.000 0.951 482 F CB 0.901 39.510 39.000 -0.652 0.000 1.323 482 F HN -0.287 nan 8.300 nan 0.000 0.451 483 I N 1.971 122.300 120.570 -0.402 0.000 2.647 483 I HA 0.800 4.970 4.170 0.001 0.000 0.295 483 I C -0.968 174.940 176.117 -0.349 0.000 1.078 483 I CA -1.244 59.846 61.300 -0.349 0.000 1.048 483 I CB 2.160 40.072 38.000 -0.146 0.000 1.239 483 I HN 1.032 nan 8.210 nan 0.000 0.421 484 A N 7.188 129.868 122.820 -0.234 0.000 2.408 484 A HA 0.881 5.202 4.320 0.001 0.000 0.295 484 A C -0.964 176.656 177.584 0.061 0.000 1.040 484 A CA -0.459 51.509 52.037 -0.114 0.000 0.707 484 A CB 1.390 20.274 19.000 -0.193 0.000 1.235 484 A HN 0.710 nan 8.150 nan 0.000 0.418 485 I N -0.001 120.667 120.570 0.164 0.000 2.828 485 I HA 0.967 5.137 4.170 0.001 0.000 0.302 485 I C -0.626 175.551 176.117 0.101 0.000 1.101 485 I CA -0.984 60.351 61.300 0.059 0.000 1.031 485 I CB 2.466 40.451 38.000 -0.025 0.000 1.231 485 I HN 0.949 nan 8.210 nan 0.000 0.427 486 H N 2.315 121.442 119.070 0.095 0.000 2.960 486 H HA 0.720 5.277 4.556 0.001 0.000 0.323 486 H C 0.283 175.695 175.328 0.140 0.000 1.326 486 H CA -0.382 55.645 56.048 -0.035 0.000 1.124 486 H CB 1.094 30.682 29.762 -0.289 0.000 1.853 486 H HN 0.658 nan 8.280 nan 0.000 0.536 487 A N 0.049 123.046 122.820 0.294 0.000 1.986 487 A HA -0.192 4.129 4.320 0.001 0.000 0.220 487 A C 1.498 179.194 177.584 0.186 0.000 1.171 487 A CA 2.004 54.181 52.037 0.233 0.000 0.640 487 A CB -0.814 18.249 19.000 0.105 0.000 0.811 487 A HN 0.794 nan 8.150 nan 0.000 0.451 488 E N -0.284 120.131 120.200 0.359 0.000 2.479 488 E HA -0.009 4.341 4.350 0.001 0.000 0.193 488 E C 1.509 178.161 176.600 0.086 0.000 1.049 488 E CA 0.563 57.093 56.400 0.217 0.000 0.870 488 E CB 0.072 29.897 29.700 0.208 0.000 0.944 488 E HN 0.742 nan 8.360 nan 0.000 0.492 489 S N 0.353 115.970 115.700 -0.138 0.000 2.556 489 S HA 0.086 4.556 4.470 0.001 0.000 0.216 489 S C 0.645 175.139 174.600 -0.176 0.000 0.970 489 S CA -0.364 57.696 58.200 -0.234 0.000 0.912 489 S CB 0.052 62.976 63.200 -0.460 0.000 0.790 489 S HN -0.032 nan 8.310 nan 0.000 0.504 490 K N 1.701 121.956 120.400 -0.241 0.000 2.298 490 K HA 0.347 4.667 4.320 0.001 0.000 0.280 490 K C -0.136 176.271 176.600 -0.321 0.000 1.032 490 K CA -0.482 55.478 56.287 -0.545 0.000 0.958 490 K CB 0.451 32.490 32.500 -0.770 0.000 0.978 490 K HN 0.322 nan 8.250 nan 0.000 0.472 491 L N 0.000 121.039 121.223 -0.307 0.000 2.949 491 L HA 0.000 4.341 4.340 0.001 0.000 0.249 491 L CA 0.000 54.726 54.840 -0.190 0.000 0.813 491 L CB 0.000 41.966 42.059 -0.155 0.000 0.961 491 L HN 0.000 nan 8.230 nan 0.000 0.502