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 1jct_1_A DATA FIRST_RESID 4 DATA SEQUENCE QFTTPVVTEM QVIPVAGHDS MLMNLSGAHA PFFTRNIVII KDNSGHTGVG DATA SEQUENCE EIPGGEKIRK TLEDAIPLVV GKTLGEYKNV LTLVRNTFAD RDAGGRGLQT DATA SEQUENCE FDLRTTIHVV TGIEAAMLDL LGQHLGVNVA SLLGDGQQRS EVEMLGYLFF DATA SEQUENCE VGNRKATPLP YQSQPDDSCD WYRLRHEEAM TPDAVVRLAE AAYEKYGFND DATA SEQUENCE FKLKGGVLAG EEEAESIVAL AQRFPQARIT LDPNGAWSLN EAIKIGKYLK DATA SEQUENCE GSLAYAEDPC GAEQGFSGRE VMAEFRRATG LPTATNMIAT DWRQMGHTLS DATA SEQUENCE LQSVDIPLAD PHFWTMQGSV RVAQMCHEFG LTWGSHSLNH FDISLAMFTH DATA SEQUENCE VAAAAPGKIT AIDTHWIWQE GNQRLTKEPF EIKGGLVQVP EKPGLGVEID DATA SEQUENCE MDQVMKAHEL YQKHGLGARD DAMGMQYLIP GWTFDNKRPC MVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.715 176.000 -0.475 0.000 1.003 4 Q CA 0.000 55.712 55.803 -0.151 0.000 1.022 4 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 5 F N 1.123 121.100 119.950 0.045 0.000 2.664 5 F HA 0.361 4.888 4.527 0.001 0.000 0.353 5 F C 0.194 176.048 175.800 0.090 0.000 1.498 5 F CA -0.290 57.749 58.000 0.065 0.000 1.109 5 F CB 1.199 40.228 39.000 0.049 0.000 1.728 5 F HN -0.338 nan 8.300 nan 0.000 0.580 6 T N -0.395 114.267 114.554 0.180 0.000 2.788 6 T HA 0.407 4.757 4.350 0.001 0.000 0.280 6 T C 0.276 175.059 174.700 0.137 0.000 0.984 6 T CA -0.265 61.916 62.100 0.135 0.000 0.972 6 T CB 1.190 70.100 68.868 0.069 0.000 1.039 6 T HN 0.091 nan 8.240 nan 0.000 0.530 7 T N 2.964 117.529 114.554 0.019 0.000 2.792 7 T HA 0.444 4.794 4.350 0.001 0.000 0.280 7 T C -2.394 172.207 174.700 -0.164 0.000 0.990 7 T CA -1.074 60.930 62.100 -0.160 0.000 0.960 7 T CB 1.308 70.120 68.868 -0.093 0.000 0.939 7 T HN 0.306 nan 8.240 nan 0.000 0.439 8 P HA 0.135 nan 4.420 nan 0.000 0.267 8 P C -1.086 176.173 177.300 -0.067 0.000 1.195 8 P CA -0.220 62.810 63.100 -0.116 0.000 0.773 8 P CB 0.468 32.108 31.700 -0.099 0.000 0.837 9 V N 3.084 122.983 119.914 -0.026 0.000 2.588 9 V HA 0.124 4.244 4.120 0.001 0.000 0.304 9 V C 0.030 176.126 176.094 0.003 0.000 1.042 9 V CA -0.865 61.430 62.300 -0.009 0.000 0.877 9 V CB 2.221 34.041 31.823 -0.005 0.000 0.996 9 V HN 0.211 nan 8.190 nan 0.000 0.425 10 V N 5.121 125.042 119.914 0.011 0.000 2.416 10 V HA -0.008 4.113 4.120 0.001 0.000 0.267 10 V C 1.689 177.791 176.094 0.014 0.000 1.007 10 V CA 1.327 63.637 62.300 0.018 0.000 1.102 10 V CB 0.412 32.251 31.823 0.027 0.000 1.035 10 V HN 1.179 nan 8.190 nan 0.000 0.473 11 T N 2.020 116.581 114.554 0.011 0.000 2.939 11 T HA 0.082 4.432 4.350 0.001 0.000 0.254 11 T C 0.465 175.171 174.700 0.009 0.000 1.041 11 T CA 0.564 62.668 62.100 0.008 0.000 1.142 11 T CB 0.175 69.045 68.868 0.003 0.000 0.874 11 T HN 0.796 nan 8.240 nan 0.000 0.452 12 E N -0.068 120.138 120.200 0.010 0.000 2.433 12 E HA 0.655 5.005 4.350 0.001 0.000 0.278 12 E C -1.326 175.280 176.600 0.010 0.000 0.976 12 E CA -1.284 55.121 56.400 0.009 0.000 0.793 12 E CB 2.019 31.721 29.700 0.004 0.000 1.311 12 E HN 0.286 nan 8.360 nan 0.000 0.460 13 M N 1.312 120.917 119.600 0.008 0.000 2.520 13 M HA 0.282 4.763 4.480 0.001 0.000 0.280 13 M C -2.359 173.940 176.300 -0.003 0.000 1.232 13 M CA -0.217 55.087 55.300 0.007 0.000 0.892 13 M CB 2.672 35.283 32.600 0.018 0.000 1.728 13 M HN 0.833 nan 8.290 nan 0.000 0.475 14 Q N 1.722 121.514 119.800 -0.012 0.000 2.578 14 Q HA 0.691 5.031 4.340 0.001 0.000 0.284 14 Q C -2.091 173.885 176.000 -0.040 0.000 0.960 14 Q CA -1.096 54.690 55.803 -0.028 0.000 0.809 14 Q CB 2.658 31.373 28.738 -0.039 0.000 1.462 14 Q HN 0.593 nan 8.270 nan 0.000 0.392 15 V N 2.630 122.510 119.914 -0.058 0.000 2.448 15 V HA 0.690 4.811 4.120 0.001 0.000 0.295 15 V C -1.412 174.606 176.094 -0.126 0.000 1.025 15 V CA -0.654 61.603 62.300 -0.073 0.000 0.859 15 V CB 1.312 33.099 31.823 -0.060 0.000 0.988 15 V HN 0.804 nan 8.190 nan 0.000 0.431 16 I N 9.327 129.805 120.570 -0.154 0.000 2.411 16 I HA 0.443 4.613 4.170 0.001 0.000 0.284 16 I C -2.481 173.481 176.117 -0.258 0.000 1.012 16 I CA -1.928 59.218 61.300 -0.257 0.000 1.119 16 I CB 2.467 40.315 38.000 -0.254 0.000 1.261 16 I HN 0.484 nan 8.210 nan 0.000 0.448 17 P HA 0.213 nan 4.420 nan 0.000 0.281 17 P C -0.714 176.268 177.300 -0.529 0.000 1.252 17 P CA -0.112 62.648 63.100 -0.566 0.000 0.778 17 P CB 1.774 32.908 31.700 -0.942 0.000 0.895 18 V N 0.113 119.806 119.914 -0.368 0.000 3.102 18 V HA 0.981 5.101 4.120 0.001 0.000 0.312 18 V C -0.898 175.190 176.094 -0.011 0.000 1.135 18 V CA -1.351 60.895 62.300 -0.091 0.000 1.022 18 V CB 1.692 33.524 31.823 0.015 0.000 1.056 18 V HN 0.706 nan 8.190 nan 0.000 0.436 19 A N 0.759 123.607 122.820 0.046 0.000 2.423 19 A HA 1.074 5.394 4.320 0.001 0.000 0.304 19 A C 0.005 177.461 177.584 -0.214 0.000 1.104 19 A CA -0.234 51.730 52.037 -0.121 0.000 0.757 19 A CB 1.674 20.638 19.000 -0.060 0.000 1.313 19 A HN 2.176 nan 8.150 nan 0.000 0.423 20 G N -0.498 107.882 108.800 -0.700 0.000 2.725 20 G HA2 0.602 4.563 3.960 0.001 0.000 0.288 20 G HA3 0.602 4.563 3.960 0.001 0.000 0.288 20 G C -1.299 173.484 174.900 -0.196 0.000 1.399 20 G CA -0.606 44.231 45.100 -0.437 0.000 0.859 20 G HN 0.718 nan 8.290 nan 0.000 0.479 21 H N 0.148 119.425 119.070 0.345 0.000 2.502 21 H HA 0.512 5.068 4.556 0.001 0.000 0.327 21 H C -1.011 174.536 175.328 0.365 0.000 1.099 21 H CA 0.056 56.265 56.048 0.269 0.000 1.323 21 H CB 2.289 32.167 29.762 0.194 0.000 1.450 21 H HN 0.504 nan 8.280 nan 0.000 0.502 22 D N 0.310 120.910 120.400 0.332 0.000 2.596 22 D HA 0.254 4.894 4.640 0.001 0.000 0.234 22 D C -0.648 175.781 176.300 0.216 0.000 1.181 22 D CA -0.464 53.694 54.000 0.263 0.000 0.856 22 D CB 1.807 42.738 40.800 0.218 0.000 1.498 22 D HN 0.348 nan 8.370 nan 0.000 0.446 23 S N 0.944 116.692 115.700 0.081 0.000 2.652 23 S HA 0.228 4.699 4.470 0.001 0.000 0.270 23 S C 0.665 175.098 174.600 -0.278 0.000 1.243 23 S CA -0.695 57.480 58.200 -0.041 0.000 0.999 23 S CB 0.822 63.976 63.200 -0.077 0.000 0.973 23 S HN 0.595 nan 8.310 nan 0.000 0.544 24 M N 2.914 122.158 119.600 -0.594 0.000 3.593 24 M HA 0.153 4.633 4.480 0.001 0.000 0.204 24 M C -1.236 174.778 176.300 -0.476 0.000 1.569 24 M CA -0.021 54.875 55.300 -0.674 0.000 1.694 24 M CB -1.025 30.946 32.600 -1.048 0.000 1.149 24 M HN 0.467 nan 8.290 nan 0.000 0.552 25 L N 3.651 124.496 121.223 -0.629 0.000 2.410 25 L HA 0.174 4.515 4.340 0.001 0.000 0.273 25 L C 0.094 176.584 176.870 -0.634 0.000 1.152 25 L CA -0.145 54.141 54.840 -0.924 0.000 0.855 25 L CB 0.460 41.390 42.059 -1.882 0.000 1.129 25 L HN 0.482 nan 8.230 nan 0.000 0.463 26 M N 4.347 123.771 119.600 -0.293 0.000 2.264 26 M HA 0.404 4.885 4.480 0.001 0.000 0.352 26 M C -0.306 176.038 176.300 0.073 0.000 1.173 26 M CA -0.452 54.803 55.300 -0.074 0.000 1.075 26 M CB 1.218 33.833 32.600 0.026 0.000 1.621 26 M HN 0.680 nan 8.290 nan 0.000 0.457 27 N N 1.790 120.557 118.700 0.112 0.000 2.927 27 N HA 0.210 4.951 4.740 0.001 0.000 0.248 27 N C -0.176 175.453 175.510 0.198 0.000 1.443 27 N CA -0.784 52.391 53.050 0.208 0.000 0.870 27 N CB 0.838 39.497 38.487 0.287 0.000 1.444 27 N HN 0.425 nan 8.380 nan 0.000 0.519 28 L N 0.902 122.238 121.223 0.188 0.000 2.051 28 L HA -0.065 4.276 4.340 0.001 0.000 0.214 28 L C 1.740 178.721 176.870 0.185 0.000 1.076 28 L CA 2.112 57.027 54.840 0.124 0.000 0.758 28 L CB -0.969 41.121 42.059 0.051 0.000 0.890 28 L HN 0.696 nan 8.230 nan 0.000 0.433 29 S N -0.605 115.338 115.700 0.405 0.000 2.547 29 S HA 0.287 4.757 4.470 0.001 0.000 0.235 29 S C 0.907 175.872 174.600 0.609 0.000 0.980 29 S CA 0.604 59.235 58.200 0.718 0.000 0.941 29 S CB -0.462 63.142 63.200 0.674 0.000 0.763 29 S HN 0.926 nan 8.310 nan 0.000 0.532 30 G N 0.315 109.302 108.800 0.310 0.000 2.217 30 G HA2 0.328 4.289 3.960 0.001 0.000 0.173 30 G HA3 0.328 4.289 3.960 0.001 0.000 0.173 30 G C -1.265 173.588 174.900 -0.078 0.000 1.324 30 G CA -0.398 44.654 45.100 -0.081 0.000 1.225 30 G HN 0.674 nan 8.290 nan 0.000 0.494 31 A N -0.313 122.441 122.820 -0.110 0.000 2.343 31 A HA 0.810 5.131 4.320 0.001 0.000 0.316 31 A C -0.121 177.519 177.584 0.093 0.000 1.104 31 A CA -0.315 51.695 52.037 -0.045 0.000 0.768 31 A CB 0.504 19.443 19.000 -0.102 0.000 1.213 31 A HN 0.812 nan 8.150 nan 0.000 0.456 32 H N 0.577 119.585 119.070 -0.103 0.000 2.836 32 H HA 0.304 4.861 4.556 0.001 0.000 0.368 32 H C 0.953 176.305 175.328 0.041 0.000 1.164 32 H CA 0.412 56.407 56.048 -0.089 0.000 1.425 32 H CB 0.990 30.620 29.762 -0.220 0.000 1.414 32 H HN 0.855 nan 8.280 nan 0.000 0.614 33 A N 2.752 125.626 122.820 0.089 0.000 2.257 33 A HA 0.168 4.489 4.320 0.001 0.000 0.289 33 A C -1.546 176.020 177.584 -0.030 0.000 1.095 33 A CA -1.401 50.644 52.037 0.015 0.000 0.836 33 A CB 0.154 19.139 19.000 -0.025 0.000 1.111 33 A HN 0.590 nan 8.150 nan 0.000 0.497 34 P HA 0.080 nan 4.420 nan 0.000 0.242 34 P C -0.634 176.161 177.300 -0.841 0.000 1.197 34 P CA 0.848 63.510 63.100 -0.730 0.000 0.765 34 P CB -0.064 30.823 31.700 -1.355 0.000 0.936 35 F N 0.743 120.639 119.950 -0.090 0.000 2.569 35 F HA 0.447 4.975 4.527 0.001 0.000 0.312 35 F C 0.093 175.858 175.800 -0.059 0.000 1.109 35 F CA -1.491 56.430 58.000 -0.132 0.000 0.919 35 F CB 1.235 40.085 39.000 -0.250 0.000 1.211 35 F HN -0.245 nan 8.300 nan 0.000 0.446 36 F N -0.339 119.637 119.950 0.044 0.000 2.561 36 F HA 0.949 5.477 4.527 0.001 0.000 0.321 36 F C -0.429 175.357 175.800 -0.024 0.000 1.065 36 F CA -0.979 56.969 58.000 -0.086 0.000 0.934 36 F CB 1.530 40.407 39.000 -0.204 0.000 1.215 36 F HN 0.482 nan 8.300 nan 0.000 0.471 37 T N 0.222 114.773 114.554 -0.005 0.000 2.930 37 T HA 0.874 5.224 4.350 0.001 0.000 0.290 37 T C -0.694 174.024 174.700 0.029 0.000 1.052 37 T CA -1.044 61.034 62.100 -0.037 0.000 1.017 37 T CB 2.163 71.087 68.868 0.095 0.000 1.137 37 T HN 0.800 nan 8.240 nan 0.000 0.511 38 R N 0.552 121.051 120.500 -0.002 0.000 2.716 38 R HA 0.462 4.803 4.340 0.001 0.000 0.271 38 R C -1.523 174.753 176.300 -0.040 0.000 1.028 38 R CA -0.794 55.322 56.100 0.026 0.000 0.883 38 R CB 1.611 32.003 30.300 0.154 0.000 1.250 38 R HN 0.817 nan 8.270 nan 0.000 0.465 39 N N 0.360 119.041 118.700 -0.031 0.000 2.342 39 N HA 0.461 5.201 4.740 0.001 0.000 0.293 39 N C -0.770 174.734 175.510 -0.010 0.000 1.026 39 N CA -0.559 52.452 53.050 -0.064 0.000 0.857 39 N CB 1.388 39.837 38.487 -0.062 0.000 1.256 39 N HN 0.233 nan 8.380 nan 0.000 0.484 40 I N 2.438 122.988 120.570 -0.033 0.000 2.412 40 I HA 0.423 4.593 4.170 0.001 0.000 0.296 40 I C -0.220 175.883 176.117 -0.024 0.000 0.987 40 I CA -0.816 60.480 61.300 -0.007 0.000 1.180 40 I CB 1.417 39.406 38.000 -0.018 0.000 1.340 40 I HN 0.185 nan 8.210 nan 0.000 0.455 41 V N 7.045 126.958 119.914 -0.001 0.000 2.604 41 V HA 0.559 4.679 4.120 0.001 0.000 0.305 41 V C -0.083 176.008 176.094 -0.004 0.000 1.043 41 V CA -0.549 61.750 62.300 -0.003 0.000 0.888 41 V CB 2.502 34.336 31.823 0.019 0.000 0.995 41 V HN 0.451 nan 8.190 nan 0.000 0.429 42 I N 5.574 126.138 120.570 -0.010 0.000 2.512 42 I HA 0.550 4.720 4.170 0.001 0.000 0.287 42 I C -0.954 175.163 176.117 -0.000 0.000 1.069 42 I CA -0.321 60.975 61.300 -0.007 0.000 1.056 42 I CB 2.054 40.045 38.000 -0.015 0.000 1.229 42 I HN 0.408 nan 8.210 nan 0.000 0.429 43 I N 5.781 126.355 120.570 0.007 0.000 2.569 43 I HA 0.475 4.645 4.170 0.001 0.000 0.296 43 I C -0.645 175.483 176.117 0.018 0.000 1.028 43 I CA -0.762 60.546 61.300 0.013 0.000 1.082 43 I CB 2.316 40.326 38.000 0.017 0.000 1.264 43 I HN 0.466 nan 8.210 nan 0.000 0.429 44 K N 3.742 124.154 120.400 0.020 0.000 2.422 44 K HA 0.515 4.835 4.320 0.001 0.000 0.251 44 K C -1.665 174.951 176.600 0.026 0.000 0.933 44 K CA -0.972 55.331 56.287 0.027 0.000 0.798 44 K CB 2.305 34.815 32.500 0.016 0.000 1.238 44 K HN 0.574 nan 8.250 nan 0.000 0.428 45 D N 0.017 120.438 120.400 0.035 0.000 2.374 45 D HA 0.036 4.676 4.640 0.001 0.000 0.239 45 D C 0.050 176.352 176.300 0.004 0.000 0.991 45 D CA -0.873 53.141 54.000 0.024 0.000 0.960 45 D CB 0.606 41.429 40.800 0.039 0.000 1.284 45 D HN 0.485 nan 8.370 nan 0.000 0.512 46 N N -0.280 118.416 118.700 -0.006 0.000 2.530 46 N HA -0.088 4.653 4.740 0.001 0.000 0.216 46 N C 0.086 175.575 175.510 -0.035 0.000 1.315 46 N CA -0.025 53.013 53.050 -0.020 0.000 0.858 46 N CB -0.353 38.126 38.487 -0.014 0.000 1.138 46 N HN 0.379 nan 8.380 nan 0.000 0.473 47 S N -2.799 112.868 115.700 -0.056 0.000 2.559 47 S HA 0.382 4.853 4.470 0.001 0.000 0.226 47 S C 1.184 175.611 174.600 -0.290 0.000 1.030 47 S CA 0.206 58.341 58.200 -0.109 0.000 0.956 47 S CB 0.263 63.462 63.200 -0.001 0.000 0.900 47 S HN 0.464 nan 8.310 nan 0.000 0.510 48 G N 0.731 109.383 108.800 -0.248 0.000 2.135 48 G HA2 -0.127 3.834 3.960 0.001 0.000 0.183 48 G HA3 -0.127 3.834 3.960 0.001 0.000 0.183 48 G C -0.274 174.450 174.900 -0.292 0.000 1.004 48 G CA -0.264 44.678 45.100 -0.263 0.000 0.677 48 G HN 0.703 nan 8.290 nan 0.000 0.512 49 H N -0.494 118.583 119.070 0.011 0.000 2.710 49 H HA 0.793 5.349 4.556 0.001 0.000 0.361 49 H C -0.326 175.003 175.328 0.002 0.000 1.175 49 H CA -0.329 55.725 56.048 0.009 0.000 1.206 49 H CB 2.108 31.881 29.762 0.018 0.000 1.750 49 H HN 0.136 nan 8.280 nan 0.000 0.553 50 T N 0.853 115.496 114.554 0.150 0.000 2.921 50 T HA 0.491 4.842 4.350 0.001 0.000 0.297 50 T C -0.217 174.507 174.700 0.039 0.000 1.013 50 T CA -0.912 61.229 62.100 0.068 0.000 0.990 50 T CB 1.543 70.438 68.868 0.044 0.000 1.023 50 T HN 0.789 nan 8.240 nan 0.000 0.447 51 G N 1.123 109.933 108.800 0.017 0.000 2.482 51 G HA2 0.764 4.724 3.960 0.001 0.000 0.317 51 G HA3 0.764 4.724 3.960 0.001 0.000 0.317 51 G C -0.491 174.403 174.900 -0.010 0.000 1.241 51 G CA -0.768 44.326 45.100 -0.011 0.000 0.967 51 G HN 0.872 nan 8.290 nan 0.000 0.482 52 V N -0.940 118.961 119.914 -0.021 0.000 3.164 52 V HA 1.087 5.207 4.120 0.001 0.000 0.313 52 V C 0.206 176.293 176.094 -0.011 0.000 1.188 52 V CA -0.565 61.727 62.300 -0.013 0.000 1.058 52 V CB 1.621 33.437 31.823 -0.013 0.000 1.110 52 V HN 1.711 nan 8.190 nan 0.000 0.453 53 G N -0.035 108.770 108.800 0.009 0.000 2.655 53 G HA2 0.550 4.510 3.960 0.001 0.000 0.296 53 G HA3 0.550 4.510 3.960 0.001 0.000 0.296 53 G C -1.971 172.969 174.900 0.067 0.000 1.485 53 G CA -0.454 44.666 45.100 0.035 0.000 0.869 53 G HN 1.024 nan 8.290 nan 0.000 0.540 54 E N -0.437 119.831 120.200 0.114 0.000 2.238 54 E HA 0.793 5.144 4.350 0.001 0.000 0.267 54 E C -0.385 176.309 176.600 0.158 0.000 0.887 54 E CA -0.585 55.894 56.400 0.132 0.000 0.769 54 E CB 1.993 31.790 29.700 0.162 0.000 1.187 54 E HN 1.087 nan 8.360 nan 0.000 0.416 55 I N 1.493 122.110 120.570 0.079 0.000 3.279 55 I HA 0.586 4.756 4.170 0.001 0.000 0.315 55 I C -2.589 173.482 176.117 -0.076 0.000 1.225 55 I CA -2.509 58.821 61.300 0.051 0.000 0.947 55 I CB 1.694 39.774 38.000 0.134 0.000 1.293 55 I HN 0.431 nan 8.210 nan 0.000 0.468 56 P HA 0.371 nan 4.420 nan 0.000 0.269 56 P C 0.370 177.585 177.300 -0.142 0.000 1.217 56 P CA 0.640 63.600 63.100 -0.233 0.000 0.783 56 P CB 0.423 31.835 31.700 -0.480 0.000 0.898 57 G N 0.082 108.821 108.800 -0.102 0.000 2.476 57 G HA2 0.582 4.543 3.960 0.001 0.000 0.286 57 G HA3 0.582 4.543 3.960 0.001 0.000 0.286 57 G C -0.308 174.572 174.900 -0.033 0.000 1.177 57 G CA -0.151 44.915 45.100 -0.056 0.000 0.870 57 G HN 0.762 nan 8.290 nan 0.000 0.528 58 G N -0.063 108.744 108.800 0.012 0.000 2.318 58 G HA2 0.267 4.228 3.960 0.001 0.000 0.302 58 G HA3 0.267 4.228 3.960 0.001 0.000 0.302 58 G C 0.092 175.022 174.900 0.049 0.000 1.633 58 G CA 0.373 45.498 45.100 0.041 0.000 0.965 58 G HN 0.721 nan 8.290 nan 0.000 0.698 59 E N 0.787 121.027 120.200 0.067 0.000 2.072 59 E HA -0.065 4.285 4.350 0.001 0.000 0.191 59 E C 2.279 178.890 176.600 0.018 0.000 0.985 59 E CA 1.957 58.390 56.400 0.055 0.000 0.801 59 E CB -0.017 29.716 29.700 0.054 0.000 0.750 59 E HN 0.444 nan 8.360 nan 0.000 0.452 60 K N 0.577 120.986 120.400 0.015 0.000 2.059 60 K HA -0.120 4.200 4.320 0.001 0.000 0.212 60 K C 2.017 178.605 176.600 -0.020 0.000 1.050 60 K CA 1.968 58.255 56.287 0.000 0.000 0.927 60 K CB -0.631 31.878 32.500 0.015 0.000 0.714 60 K HN 0.319 nan 8.250 nan 0.000 0.447 61 I N -0.181 120.385 120.570 -0.005 0.000 2.286 61 I HA -0.164 4.007 4.170 0.001 0.000 0.245 61 I C 2.692 178.784 176.117 -0.041 0.000 1.104 61 I CA 0.866 62.158 61.300 -0.013 0.000 1.397 61 I CB -0.287 37.721 38.000 0.013 0.000 1.072 61 I HN 0.190 nan 8.210 nan 0.000 0.417 62 R N 1.389 121.869 120.500 -0.033 0.000 2.091 62 R HA -0.252 4.088 4.340 0.001 0.000 0.238 62 R C 2.279 178.547 176.300 -0.053 0.000 1.136 62 R CA 1.831 57.904 56.100 -0.044 0.000 0.959 62 R CB -0.099 30.183 30.300 -0.029 0.000 0.856 62 R HN 0.093 nan 8.270 nan 0.000 0.437 63 K N -0.069 120.301 120.400 -0.050 0.000 1.985 63 K HA -0.081 4.240 4.320 0.001 0.000 0.210 63 K C 1.900 178.419 176.600 -0.135 0.000 1.047 63 K CA 2.453 58.701 56.287 -0.065 0.000 0.932 63 K CB -0.639 31.832 32.500 -0.048 0.000 0.716 63 K HN 0.101 nan 8.250 nan 0.000 0.439 64 T N 1.533 115.966 114.554 -0.202 0.000 2.684 64 T HA -0.134 4.216 4.350 0.001 0.000 0.267 64 T C 1.745 176.230 174.700 -0.358 0.000 1.036 64 T CA 1.591 63.437 62.100 -0.424 0.000 1.148 64 T CB -0.318 68.286 68.868 -0.440 0.000 0.863 64 T HN 0.137 nan 8.240 nan 0.000 0.436 65 L N 0.595 121.709 121.223 -0.181 0.000 2.129 65 L HA -0.172 4.169 4.340 0.001 0.000 0.212 65 L C 2.780 179.608 176.870 -0.071 0.000 1.087 65 L CA 1.544 56.327 54.840 -0.095 0.000 0.757 65 L CB -0.397 41.635 42.059 -0.045 0.000 0.896 65 L HN 0.421 nan 8.230 nan 0.000 0.434 66 E N -0.180 119.973 120.200 -0.079 0.000 2.076 66 E HA -0.211 4.140 4.350 0.001 0.000 0.190 66 E C 1.606 178.191 176.600 -0.025 0.000 0.979 66 E CA 1.033 57.408 56.400 -0.042 0.000 0.807 66 E CB 0.181 29.859 29.700 -0.036 0.000 0.761 66 E HN 0.387 nan 8.360 nan 0.000 0.454 67 D N 0.436 120.793 120.400 -0.072 0.000 2.149 67 D HA -0.142 4.499 4.640 0.001 0.000 0.198 67 D C 1.632 178.023 176.300 0.153 0.000 0.990 67 D CA 1.356 55.358 54.000 0.004 0.000 0.839 67 D CB -0.211 40.526 40.800 -0.104 0.000 0.948 67 D HN 0.284 nan 8.370 nan 0.000 0.460 68 A N 0.581 123.463 122.820 0.103 0.000 2.206 68 A HA 0.005 4.325 4.320 0.001 0.000 0.211 68 A C 2.108 179.789 177.584 0.162 0.000 1.158 68 A CA -0.001 52.210 52.037 0.291 0.000 0.761 68 A CB -0.677 18.507 19.000 0.305 0.000 0.801 68 A HN 0.290 nan 8.150 nan 0.000 0.473 69 I N 0.330 120.955 120.570 0.092 0.000 2.248 69 I HA -0.189 3.981 4.170 0.001 0.000 0.248 69 I C -0.879 175.277 176.117 0.065 0.000 1.107 69 I CA 1.556 62.894 61.300 0.063 0.000 1.373 69 I CB -0.434 37.587 38.000 0.036 0.000 1.055 69 I HN 0.202 nan 8.210 nan 0.000 0.418 70 P HA -0.142 nan 4.420 nan 0.000 0.217 70 P C 1.776 179.109 177.300 0.054 0.000 1.150 70 P CA 1.364 64.499 63.100 0.058 0.000 0.832 70 P CB -0.050 31.686 31.700 0.060 0.000 0.787 71 L N -1.855 119.412 121.223 0.073 0.000 2.456 71 L HA -0.070 4.271 4.340 0.001 0.000 0.224 71 L C 1.865 178.770 176.870 0.059 0.000 1.148 71 L CA 0.814 55.689 54.840 0.059 0.000 0.825 71 L CB -0.582 41.520 42.059 0.072 0.000 0.937 71 L HN -0.072 nan 8.230 nan 0.000 0.450 72 V N -1.833 118.120 119.914 0.064 0.000 2.599 72 V HA 0.044 4.164 4.120 0.001 0.000 0.237 72 V C 1.201 177.322 176.094 0.044 0.000 1.081 72 V CA -0.055 62.280 62.300 0.059 0.000 1.107 72 V CB 0.297 32.158 31.823 0.064 0.000 0.808 72 V HN -0.045 nan 8.190 nan 0.000 0.486 73 V N 1.896 121.833 119.914 0.039 0.000 2.617 73 V HA 0.399 4.519 4.120 0.001 0.000 0.304 73 V C 1.491 177.600 176.094 0.024 0.000 1.040 73 V CA 1.685 64.002 62.300 0.028 0.000 1.149 73 V CB -0.275 31.563 31.823 0.025 0.000 0.914 73 V HN 0.781 nan 8.190 nan 0.000 0.487 74 G N 3.938 112.749 108.800 0.020 0.000 2.399 74 G HA2 -0.187 3.773 3.960 0.001 0.000 0.216 74 G HA3 -0.187 3.773 3.960 0.001 0.000 0.216 74 G C 0.381 175.291 174.900 0.016 0.000 1.096 74 G CA -0.179 44.931 45.100 0.016 0.000 0.650 74 G HN 0.554 nan 8.290 nan 0.000 0.512 75 K N 2.279 122.692 120.400 0.022 0.000 2.397 75 K HA 0.396 4.717 4.320 0.001 0.000 0.265 75 K C 0.967 177.580 176.600 0.022 0.000 0.982 75 K CA 0.869 57.170 56.287 0.024 0.000 0.931 75 K CB 0.307 32.827 32.500 0.034 0.000 0.943 75 K HN 0.750 nan 8.250 nan 0.000 0.501 76 T N -1.837 112.729 114.554 0.020 0.000 2.934 76 T HA 0.300 4.651 4.350 0.001 0.000 0.283 76 T C 1.814 176.533 174.700 0.032 0.000 1.005 76 T CA -0.873 61.233 62.100 0.010 0.000 1.041 76 T CB 0.647 69.517 68.868 0.003 0.000 1.042 76 T HN 0.410 nan 8.240 nan 0.000 0.505 77 L N 1.510 122.739 121.223 0.010 0.000 2.043 77 L HA 0.010 4.351 4.340 0.001 0.000 0.212 77 L C 2.962 179.926 176.870 0.157 0.000 1.075 77 L CA 1.660 56.531 54.840 0.051 0.000 0.752 77 L CB -1.187 40.852 42.059 -0.032 0.000 0.891 77 L HN 0.997 nan 8.230 nan 0.000 0.432 78 G N -0.373 108.489 108.800 0.103 0.000 2.564 78 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 78 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 78 G C 1.189 176.144 174.900 0.092 0.000 1.124 78 G CA 0.384 45.563 45.100 0.131 0.000 0.764 78 G HN 0.506 nan 8.290 nan 0.000 0.550 79 E N -0.572 119.676 120.200 0.081 0.000 2.501 79 E HA 0.099 4.449 4.350 0.001 0.000 0.200 79 E C 1.464 178.063 176.600 -0.002 0.000 1.016 79 E CA -0.472 55.931 56.400 0.005 0.000 0.921 79 E CB 0.033 29.740 29.700 0.012 0.000 1.034 79 E HN 0.754 nan 8.360 nan 0.000 0.468 80 Y N 1.142 121.449 120.300 0.011 0.000 2.151 80 Y HA -0.229 4.322 4.550 0.001 0.000 0.284 80 Y C 1.861 177.775 175.900 0.025 0.000 1.166 80 Y CA 1.060 59.171 58.100 0.019 0.000 1.163 80 Y CB -0.280 38.190 38.460 0.018 0.000 0.974 80 Y HN -0.204 nan 8.280 nan 0.000 0.511 81 K N 0.629 120.495 120.400 -0.890 0.000 2.009 81 K HA -0.171 4.150 4.320 0.001 0.000 0.210 81 K C 1.665 178.129 176.600 -0.226 0.000 1.049 81 K CA 1.571 57.494 56.287 -0.608 0.000 0.929 81 K CB -0.531 31.596 32.500 -0.622 0.000 0.714 81 K HN 0.473 nan 8.250 nan 0.000 0.440 82 N N 0.792 119.387 118.700 -0.175 0.000 2.381 82 N HA -0.091 4.650 4.740 0.001 0.000 0.182 82 N C 1.887 177.373 175.510 -0.039 0.000 1.025 82 N CA 0.576 53.576 53.050 -0.084 0.000 0.888 82 N CB -0.070 38.377 38.487 -0.067 0.000 0.965 82 N HN -0.043 nan 8.380 nan 0.000 0.438 83 V N 1.523 121.427 119.914 -0.017 0.000 2.323 83 V HA -0.102 4.018 4.120 0.001 0.000 0.244 83 V C 2.365 178.486 176.094 0.045 0.000 1.041 83 V CA 0.972 63.288 62.300 0.027 0.000 1.025 83 V CB -0.414 31.447 31.823 0.063 0.000 0.656 83 V HN 0.197 nan 8.190 nan 0.000 0.451 84 L N -0.279 120.977 121.223 0.055 0.000 2.131 84 L HA -0.173 4.168 4.340 0.001 0.000 0.210 84 L C 2.541 179.445 176.870 0.056 0.000 1.092 84 L CA 1.720 56.608 54.840 0.080 0.000 0.759 84 L CB -0.890 41.230 42.059 0.102 0.000 0.903 84 L HN 0.342 nan 8.230 nan 0.000 0.435 85 T N -0.105 114.461 114.554 0.020 0.000 2.904 85 T HA -0.107 4.244 4.350 0.001 0.000 0.267 85 T C 1.776 176.476 174.700 -0.000 0.000 1.059 85 T CA 0.791 62.896 62.100 0.009 0.000 1.137 85 T CB -0.052 68.807 68.868 -0.014 0.000 0.879 85 T HN 0.104 nan 8.240 nan 0.000 0.467 86 L N 1.458 122.677 121.223 -0.006 0.000 1.976 86 L HA -0.062 4.279 4.340 0.001 0.000 0.209 86 L C 2.440 179.282 176.870 -0.047 0.000 1.071 86 L CA 1.723 56.545 54.840 -0.030 0.000 0.746 86 L CB -0.954 41.092 42.059 -0.022 0.000 0.890 86 L HN 0.057 nan 8.230 nan 0.000 0.432 87 V N 0.116 120.039 119.914 0.016 0.000 2.231 87 V HA -0.376 3.744 4.120 0.001 0.000 0.248 87 V C 2.732 178.875 176.094 0.081 0.000 1.054 87 V CA 2.346 64.696 62.300 0.083 0.000 1.015 87 V CB -0.851 31.107 31.823 0.226 0.000 0.638 87 V HN 0.553 nan 8.190 nan 0.000 0.444 88 R N 0.071 120.626 120.500 0.092 0.000 2.153 88 R HA -0.243 4.098 4.340 0.001 0.000 0.252 88 R C 2.141 178.464 176.300 0.037 0.000 1.158 88 R CA 2.224 58.374 56.100 0.083 0.000 0.975 88 R CB -0.242 30.098 30.300 0.066 0.000 0.871 88 R HN 0.656 nan 8.270 nan 0.000 0.450 89 N N -0.958 117.730 118.700 -0.020 0.000 2.182 89 N HA -0.071 4.669 4.740 0.001 0.000 0.186 89 N C 1.687 177.125 175.510 -0.120 0.000 1.036 89 N CA 1.681 54.701 53.050 -0.051 0.000 0.850 89 N CB -0.785 37.668 38.487 -0.058 0.000 1.010 89 N HN 0.112 nan 8.380 nan 0.000 0.432 90 T N 0.961 115.358 114.554 -0.261 0.000 2.714 90 T HA -0.132 4.218 4.350 0.001 0.000 0.268 90 T C 0.782 175.162 174.700 -0.534 0.000 1.036 90 T CA 1.325 63.114 62.100 -0.519 0.000 1.148 90 T CB -0.244 68.060 68.868 -0.940 0.000 0.856 90 T HN 0.190 nan 8.240 nan 0.000 0.462 91 F N -0.286 119.673 119.950 0.015 0.000 2.698 91 F HA 0.586 5.114 4.527 0.001 0.000 0.304 91 F C 1.610 177.416 175.800 0.010 0.000 1.108 91 F CA -1.180 56.829 58.000 0.015 0.000 1.263 91 F CB -0.352 38.660 39.000 0.021 0.000 1.013 91 F HN 0.021 nan 8.300 nan 0.000 0.532 92 A N 0.252 123.142 122.820 0.117 0.000 2.248 92 A HA -0.111 4.209 4.320 0.001 0.000 0.210 92 A C 1.206 178.826 177.584 0.060 0.000 1.174 92 A CA 1.395 53.477 52.037 0.075 0.000 0.750 92 A CB -1.061 17.961 19.000 0.037 0.000 0.780 92 A HN 0.444 nan 8.150 nan 0.000 0.478 93 D N -2.074 118.374 120.400 0.080 0.000 2.388 93 D HA 0.067 4.707 4.640 0.001 0.000 0.221 93 D C 1.002 177.341 176.300 0.064 0.000 1.133 93 D CA -0.136 53.900 54.000 0.059 0.000 0.831 93 D CB 0.007 40.839 40.800 0.053 0.000 0.962 93 D HN 0.359 nan 8.370 nan 0.000 0.502 94 R N -0.009 120.537 120.500 0.076 0.000 2.509 94 R HA 0.237 4.577 4.340 0.001 0.000 0.300 94 R C -0.724 175.595 176.300 0.031 0.000 0.985 94 R CA -0.350 55.783 56.100 0.055 0.000 1.092 94 R CB 0.358 30.695 30.300 0.061 0.000 1.237 94 R HN 0.072 nan 8.270 nan 0.000 0.546 95 D N -0.011 120.401 120.400 0.020 0.000 2.481 95 D HA 0.368 5.009 4.640 0.001 0.000 0.246 95 D C -0.011 176.284 176.300 -0.010 0.000 1.109 95 D CA -0.203 53.794 54.000 -0.005 0.000 0.845 95 D CB 1.984 42.770 40.800 -0.023 0.000 1.160 95 D HN 0.047 nan 8.370 nan 0.000 0.534 96 A N 1.908 124.718 122.820 -0.016 0.000 2.042 96 A HA 0.427 4.748 4.320 0.001 0.000 0.204 96 A C 1.930 179.496 177.584 -0.031 0.000 1.712 96 A CA 0.772 52.798 52.037 -0.018 0.000 0.890 96 A CB -0.777 18.216 19.000 -0.011 0.000 1.176 96 A HN 0.537 nan 8.150 nan 0.000 0.573 97 G N -0.819 107.957 108.800 -0.039 0.000 2.545 97 G HA2 0.189 4.149 3.960 0.001 0.000 0.217 97 G HA3 0.189 4.149 3.960 0.001 0.000 0.217 97 G C 1.400 176.261 174.900 -0.064 0.000 1.218 97 G CA 2.154 47.222 45.100 -0.053 0.000 0.787 97 G HN 1.899 nan 8.290 nan 0.000 0.571 98 G N -1.739 107.012 108.800 -0.082 0.000 2.284 98 G HA2 -0.132 3.828 3.960 0.001 0.000 0.201 98 G HA3 -0.132 3.828 3.960 0.001 0.000 0.201 98 G C 0.834 175.646 174.900 -0.147 0.000 0.998 98 G CA 0.969 46.006 45.100 -0.105 0.000 0.651 98 G HN 0.893 nan 8.290 nan 0.000 0.489 99 R N -1.612 118.806 120.500 -0.136 0.000 1.950 99 R HA 0.345 4.685 4.340 0.001 0.000 0.029 99 R C 1.030 177.234 176.300 -0.160 0.000 0.821 99 R CA 1.494 57.497 56.100 -0.161 0.000 3.453 99 R CB -0.860 29.339 30.300 -0.168 0.000 0.808 99 R HN 2.233 nan 8.270 nan 0.000 0.571 100 G N 0.682 109.394 108.800 -0.147 0.000 2.712 100 G HA2 -0.178 3.783 3.960 0.001 0.000 0.683 100 G HA3 -0.178 3.783 3.960 0.001 0.000 0.683 100 G C -0.012 174.775 174.900 -0.189 0.000 1.320 100 G CA -0.176 44.815 45.100 -0.182 0.000 0.847 100 G HN 0.121 nan 8.290 nan 0.000 0.553 101 L N 0.794 121.880 121.223 -0.228 0.000 2.592 101 L HA 0.125 4.465 4.340 0.001 0.000 0.227 101 L C 1.864 178.620 176.870 -0.191 0.000 1.127 101 L CA -0.056 54.693 54.840 -0.151 0.000 0.884 101 L CB -0.383 41.642 42.059 -0.058 0.000 1.065 101 L HN 0.501 nan 8.230 nan 0.000 0.457 102 Q N 0.468 119.984 119.800 -0.474 0.000 3.026 102 Q HA -0.051 4.289 4.340 0.001 0.000 0.195 102 Q C 1.597 177.502 176.000 -0.157 0.000 1.160 102 Q CA 1.165 56.648 55.803 -0.534 0.000 1.225 102 Q CB 0.120 28.181 28.738 -1.129 0.000 1.328 102 Q HN 0.242 nan 8.270 nan 0.000 0.696 103 T N -3.267 111.249 114.554 -0.064 0.000 3.037 103 T HA 0.201 4.552 4.350 0.001 0.000 0.251 103 T C 0.546 175.382 174.700 0.226 0.000 1.079 103 T CA -0.074 62.123 62.100 0.161 0.000 1.067 103 T CB -0.085 68.975 68.868 0.320 0.000 0.948 103 T HN 0.372 nan 8.240 nan 0.000 0.496 104 F N 0.136 120.170 119.950 0.140 0.000 2.538 104 F HA 0.787 5.315 4.527 0.001 0.000 0.325 104 F C -0.081 175.775 175.800 0.093 0.000 1.066 104 F CA -1.671 56.419 58.000 0.150 0.000 0.946 104 F CB 0.362 39.425 39.000 0.105 0.000 1.199 104 F HN 0.012 nan 8.300 nan 0.000 0.473 105 D N 0.777 121.354 120.400 0.295 0.000 2.351 105 D HA 0.535 5.176 4.640 0.001 0.000 0.251 105 D C 0.477 176.866 176.300 0.148 0.000 1.137 105 D CA 0.004 54.037 54.000 0.055 0.000 0.879 105 D CB 1.438 42.101 40.800 -0.230 0.000 1.181 105 D HN 1.288 nan 8.370 nan 0.000 0.448 106 L N 1.617 122.855 121.223 0.025 0.000 2.685 106 L HA 0.358 4.698 4.340 0.001 0.000 0.233 106 L C 1.573 178.486 176.870 0.073 0.000 1.173 106 L CA -0.155 54.732 54.840 0.078 0.000 0.961 106 L CB -1.464 40.592 42.059 -0.005 0.000 1.217 106 L HN 0.581 nan 8.230 nan 0.000 0.478 107 R N -0.732 119.807 120.500 0.064 0.000 2.995 107 R HA 0.479 4.819 4.340 0.001 0.000 0.287 107 R C 0.687 177.090 176.300 0.172 0.000 1.168 107 R CA 0.817 56.929 56.100 0.021 0.000 1.183 107 R CB 0.314 30.493 30.300 -0.202 0.000 1.157 107 R HN 0.507 nan 8.270 nan 0.000 0.577 108 T N -1.377 113.230 114.554 0.089 0.000 3.422 108 T HA -0.005 4.345 4.350 0.001 0.000 0.179 108 T C 1.646 176.404 174.700 0.097 0.000 0.946 108 T CA 0.187 62.377 62.100 0.151 0.000 1.025 108 T CB -0.494 68.415 68.868 0.067 0.000 1.298 108 T HN 0.518 nan 8.240 nan 0.000 0.312 109 T N 3.014 117.595 114.554 0.044 0.000 2.649 109 T HA -0.179 4.171 4.350 0.001 0.000 0.268 109 T C 1.890 176.618 174.700 0.047 0.000 1.036 109 T CA 1.833 63.969 62.100 0.061 0.000 1.157 109 T CB -0.521 68.407 68.868 0.099 0.000 0.861 109 T HN 0.183 nan 8.240 nan 0.000 0.445 110 I N 1.020 121.564 120.570 -0.044 0.000 2.194 110 I HA -0.222 3.949 4.170 0.001 0.000 0.246 110 I C 2.062 178.175 176.117 -0.006 0.000 1.093 110 I CA 1.593 62.854 61.300 -0.065 0.000 1.355 110 I CB -0.443 37.443 38.000 -0.190 0.000 1.046 110 I HN 0.415 nan 8.210 nan 0.000 0.413 111 H N -1.512 117.633 119.070 0.124 0.000 2.423 111 H HA -0.049 4.508 4.556 0.001 0.000 0.297 111 H C 2.226 177.620 175.328 0.109 0.000 1.075 111 H CA 1.406 57.540 56.048 0.144 0.000 1.342 111 H CB -0.200 29.634 29.762 0.121 0.000 1.395 111 H HN 0.214 nan 8.280 nan 0.000 0.530 112 V N 0.293 120.317 119.914 0.184 0.000 2.343 112 V HA -0.224 3.896 4.120 0.001 0.000 0.247 112 V C 2.291 178.460 176.094 0.126 0.000 1.051 112 V CA 1.412 63.781 62.300 0.114 0.000 1.036 112 V CB -0.414 31.437 31.823 0.046 0.000 0.654 112 V HN 0.275 nan 8.190 nan 0.000 0.451 113 V N -0.121 119.875 119.914 0.136 0.000 2.307 113 V HA -0.247 3.874 4.120 0.001 0.000 0.245 113 V C 2.576 178.757 176.094 0.144 0.000 1.045 113 V CA 2.546 64.929 62.300 0.140 0.000 1.024 113 V CB -1.152 30.751 31.823 0.132 0.000 0.651 113 V HN 0.593 nan 8.190 nan 0.000 0.449 114 T N 0.628 115.279 114.554 0.161 0.000 2.635 114 T HA -0.175 4.176 4.350 0.001 0.000 0.267 114 T C 1.967 176.757 174.700 0.150 0.000 1.040 114 T CA 1.783 63.983 62.100 0.167 0.000 1.156 114 T CB -0.890 68.107 68.868 0.215 0.000 0.863 114 T HN 0.622 nan 8.240 nan 0.000 0.430 115 G N 1.624 110.520 108.800 0.161 0.000 2.529 115 G HA2 -0.230 3.730 3.960 0.001 0.000 0.219 115 G HA3 -0.230 3.730 3.960 0.001 0.000 0.219 115 G C 1.532 176.487 174.900 0.091 0.000 1.177 115 G CA 1.038 46.213 45.100 0.126 0.000 0.773 115 G HN 0.534 nan 8.290 nan 0.000 0.573 116 I N 0.478 121.104 120.570 0.094 0.000 2.226 116 I HA -0.164 4.006 4.170 0.001 0.000 0.245 116 I C 2.645 178.813 176.117 0.084 0.000 1.100 116 I CA 1.501 62.851 61.300 0.084 0.000 1.374 116 I CB -0.356 37.704 38.000 0.101 0.000 1.057 116 I HN 0.333 nan 8.210 nan 0.000 0.413 117 E N 1.524 121.787 120.200 0.105 0.000 2.049 117 E HA -0.303 4.047 4.350 0.001 0.000 0.198 117 E C 2.304 178.927 176.600 0.038 0.000 1.007 117 E CA 1.750 58.215 56.400 0.108 0.000 0.809 117 E CB -0.075 29.704 29.700 0.131 0.000 0.749 117 E HN 0.485 nan 8.360 nan 0.000 0.450 118 A N 1.270 124.110 122.820 0.034 0.000 1.883 118 A HA -0.181 4.139 4.320 0.001 0.000 0.217 118 A C 2.437 179.998 177.584 -0.037 0.000 1.186 118 A CA 2.342 54.372 52.037 -0.011 0.000 0.624 118 A CB -0.968 18.038 19.000 0.009 0.000 0.822 118 A HN 0.456 nan 8.150 nan 0.000 0.444 119 A N -0.915 121.899 122.820 -0.009 0.000 1.883 119 A HA -0.153 4.167 4.320 0.001 0.000 0.217 119 A C 2.231 179.792 177.584 -0.038 0.000 1.186 119 A CA 2.125 54.152 52.037 -0.017 0.000 0.624 119 A CB -0.502 18.502 19.000 0.007 0.000 0.822 119 A HN 0.457 nan 8.150 nan 0.000 0.444 120 M N -0.429 119.151 119.600 -0.032 0.000 2.067 120 M HA -0.051 4.429 4.480 0.001 0.000 0.260 120 M C 2.205 178.397 176.300 -0.181 0.000 1.069 120 M CA 1.296 56.555 55.300 -0.068 0.000 1.117 120 M CB -1.503 31.090 32.600 -0.011 0.000 1.334 120 M HN 0.382 nan 8.290 nan 0.000 0.407 121 L N 0.034 121.123 121.223 -0.223 0.000 2.263 121 L HA -0.256 4.084 4.340 0.001 0.000 0.216 121 L C 2.064 178.810 176.870 -0.208 0.000 1.111 121 L CA 1.052 55.724 54.840 -0.280 0.000 0.773 121 L CB -0.713 41.221 42.059 -0.208 0.000 0.906 121 L HN 0.322 nan 8.230 nan 0.000 0.439 122 D N -0.029 120.276 120.400 -0.158 0.000 2.149 122 D HA -0.093 4.547 4.640 0.001 0.000 0.206 122 D C 2.280 178.504 176.300 -0.128 0.000 0.967 122 D CA 0.931 54.845 54.000 -0.143 0.000 0.848 122 D CB 0.092 40.826 40.800 -0.109 0.000 0.998 122 D HN 0.158 nan 8.370 nan 0.000 0.474 123 L N 0.046 121.210 121.223 -0.098 0.000 2.083 123 L HA -0.107 4.233 4.340 0.001 0.000 0.209 123 L C 2.382 179.209 176.870 -0.073 0.000 1.083 123 L CA 0.431 55.230 54.840 -0.069 0.000 0.752 123 L CB -0.290 41.757 42.059 -0.019 0.000 0.899 123 L HN 0.147 nan 8.230 nan 0.000 0.433 124 L N -0.071 121.088 121.223 -0.107 0.000 2.093 124 L HA -0.044 4.296 4.340 0.001 0.000 0.208 124 L C 2.331 179.169 176.870 -0.054 0.000 1.085 124 L CA 1.874 56.664 54.840 -0.084 0.000 0.755 124 L CB -0.816 41.108 42.059 -0.225 0.000 0.904 124 L HN 0.125 nan 8.230 nan 0.000 0.435 125 G N -1.676 107.057 108.800 -0.112 0.000 2.402 125 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 125 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 125 G C 1.449 176.279 174.900 -0.117 0.000 1.162 125 G CA 0.567 45.605 45.100 -0.103 0.000 0.777 125 G HN 0.486 nan 8.290 nan 0.000 0.539 126 Q N -0.731 118.959 119.800 -0.183 0.000 2.124 126 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 126 Q C 2.230 178.053 176.000 -0.296 0.000 0.977 126 Q CA 1.467 57.073 55.803 -0.328 0.000 0.850 126 Q CB -0.199 28.171 28.738 -0.614 0.000 0.901 126 Q HN 0.718 nan 8.270 nan 0.000 0.429 127 H N 0.766 119.694 119.070 -0.238 0.000 2.261 127 H HA -0.044 4.512 4.556 0.001 0.000 0.301 127 H C 1.644 176.960 175.328 -0.020 0.000 1.067 127 H CA 1.538 57.549 56.048 -0.062 0.000 1.297 127 H CB -0.215 29.549 29.762 0.003 0.000 1.377 127 H HN 0.093 nan 8.280 nan 0.000 0.492 128 L N -0.180 120.985 121.223 -0.097 0.000 2.633 128 L HA 0.069 4.409 4.340 0.001 0.000 0.235 128 L C 1.377 178.187 176.870 -0.100 0.000 1.163 128 L CA 0.593 55.364 54.840 -0.116 0.000 0.859 128 L CB -0.417 41.647 42.059 0.009 0.000 0.973 128 L HN 0.733 nan 8.230 nan 0.000 0.451 129 G N 0.995 109.732 108.800 -0.104 0.000 2.221 129 G HA2 -0.219 3.742 3.960 0.001 0.000 0.265 129 G HA3 -0.219 3.742 3.960 0.001 0.000 0.265 129 G C 0.033 174.904 174.900 -0.049 0.000 1.041 129 G CA 0.330 45.384 45.100 -0.076 0.000 0.807 129 G HN 0.352 nan 8.290 nan 0.000 0.502 130 V N -2.987 116.900 119.914 -0.046 0.000 3.007 130 V HA 0.792 4.912 4.120 0.001 0.000 0.311 130 V C 0.252 176.333 176.094 -0.022 0.000 1.120 130 V CA -1.086 61.199 62.300 -0.025 0.000 0.980 130 V CB 1.548 33.361 31.823 -0.016 0.000 1.033 130 V HN 0.742 nan 8.190 nan 0.000 0.429 131 N N 1.109 119.819 118.700 0.017 0.000 2.371 131 N HA 0.245 4.986 4.740 0.001 0.000 0.243 131 N C 0.675 176.204 175.510 0.032 0.000 1.287 131 N CA -0.345 52.745 53.050 0.066 0.000 0.911 131 N CB 1.528 40.141 38.487 0.210 0.000 1.142 131 N HN 0.454 nan 8.380 nan 0.000 0.451 132 V N 0.705 120.569 119.914 -0.083 0.000 2.626 132 V HA -0.201 3.920 4.120 0.001 0.000 0.252 132 V C 2.443 178.593 176.094 0.093 0.000 1.067 132 V CA 2.072 64.309 62.300 -0.105 0.000 1.081 132 V CB -1.246 30.364 31.823 -0.356 0.000 0.686 132 V HN 0.910 nan 8.190 nan 0.000 0.468 133 A N -0.654 122.372 122.820 0.344 0.000 2.070 133 A HA -0.152 4.169 4.320 0.001 0.000 0.220 133 A C 2.347 179.962 177.584 0.051 0.000 1.159 133 A CA 1.857 53.989 52.037 0.158 0.000 0.656 133 A CB -0.393 18.654 19.000 0.079 0.000 0.800 133 A HN 0.506 nan 8.150 nan 0.000 0.453 134 S N -0.730 114.998 115.700 0.047 0.000 2.562 134 S HA 0.191 4.661 4.470 0.001 0.000 0.221 134 S C 1.109 175.713 174.600 0.006 0.000 0.975 134 S CA 0.418 58.626 58.200 0.013 0.000 0.918 134 S CB -0.124 63.082 63.200 0.010 0.000 0.772 134 S HN 0.527 nan 8.310 nan 0.000 0.531 135 L N 0.551 121.777 121.223 0.004 0.000 2.693 135 L HA 0.398 4.738 4.340 0.001 0.000 0.235 135 L C -0.189 176.692 176.870 0.018 0.000 1.127 135 L CA 0.141 54.983 54.840 0.003 0.000 0.914 135 L CB 0.208 42.246 42.059 -0.036 0.000 1.193 135 L HN 0.139 nan 8.230 nan 0.000 0.502 136 L N -0.502 120.727 121.223 0.009 0.000 2.325 136 L HA 0.598 4.939 4.340 0.001 0.000 0.278 136 L C 1.295 178.153 176.870 -0.020 0.000 1.023 136 L CA -0.251 54.591 54.840 0.004 0.000 0.811 136 L CB 1.477 43.534 42.059 -0.005 0.000 1.249 136 L HN 0.213 nan 8.230 nan 0.000 0.431 137 G N 2.369 111.156 108.800 -0.022 0.000 2.672 137 G HA2 -0.344 3.617 3.960 0.001 0.000 0.324 137 G HA3 -0.344 3.617 3.960 0.001 0.000 0.324 137 G C 0.314 175.193 174.900 -0.035 0.000 1.286 137 G CA 0.561 45.635 45.100 -0.045 0.000 1.004 137 G HN 0.723 nan 8.290 nan 0.000 0.548 138 D N 2.920 123.288 120.400 -0.052 0.000 2.395 138 D HA 0.470 5.111 4.640 0.001 0.000 0.226 138 D C 1.242 177.518 176.300 -0.039 0.000 1.146 138 D CA 1.811 55.787 54.000 -0.040 0.000 0.830 138 D CB -0.143 40.631 40.800 -0.043 0.000 0.958 138 D HN 1.535 nan 8.370 nan 0.000 0.501 139 G N 1.096 109.872 108.800 -0.040 0.000 2.631 139 G HA2 -0.220 3.740 3.960 0.001 0.000 0.504 139 G HA3 -0.220 3.740 3.960 0.001 0.000 0.504 139 G C -0.418 174.452 174.900 -0.050 0.000 1.306 139 G CA -0.902 44.177 45.100 -0.034 0.000 0.897 139 G HN 0.248 nan 8.290 nan 0.000 0.520 140 Q N 0.060 119.836 119.800 -0.040 0.000 2.244 140 Q HA 0.310 4.650 4.340 0.001 0.000 0.278 140 Q C 1.212 177.172 176.000 -0.066 0.000 1.093 140 Q CA 0.367 56.139 55.803 -0.051 0.000 0.916 140 Q CB 0.433 29.148 28.738 -0.038 0.000 1.159 140 Q HN 0.504 nan 8.270 nan 0.000 0.384 141 Q N 3.170 122.918 119.800 -0.088 0.000 2.391 141 Q HA 0.094 4.435 4.340 0.001 0.000 0.211 141 Q C -0.036 175.913 176.000 -0.085 0.000 0.908 141 Q CA 0.819 56.563 55.803 -0.098 0.000 0.920 141 Q CB 0.643 29.297 28.738 -0.140 0.000 1.056 141 Q HN 0.688 nan 8.270 nan 0.000 0.523 142 R N -1.192 119.261 120.500 -0.078 0.000 2.799 142 R HA 0.501 4.842 4.340 0.001 0.000 0.270 142 R C 0.323 176.583 176.300 -0.067 0.000 1.010 142 R CA -0.218 55.843 56.100 -0.065 0.000 0.916 142 R CB 0.579 30.845 30.300 -0.056 0.000 1.228 142 R HN -0.137 nan 8.270 nan 0.000 0.469 143 S N -1.461 114.203 115.700 -0.060 0.000 2.539 143 S HA 0.102 4.572 4.470 0.001 0.000 0.221 143 S C -0.194 174.364 174.600 -0.071 0.000 0.987 143 S CA -0.242 57.917 58.200 -0.068 0.000 0.929 143 S CB -0.340 62.825 63.200 -0.058 0.000 0.832 143 S HN 0.701 nan 8.310 nan 0.000 0.492 144 E N -0.374 119.792 120.200 -0.055 0.000 2.390 144 E HA 0.625 4.976 4.350 0.001 0.000 0.280 144 E C -1.823 174.768 176.600 -0.016 0.000 0.992 144 E CA -1.201 55.174 56.400 -0.042 0.000 0.790 144 E CB 1.614 31.291 29.700 -0.037 0.000 1.248 144 E HN -0.034 nan 8.360 nan 0.000 0.447 145 V N 0.902 120.822 119.914 0.010 0.000 2.604 145 V HA 0.331 4.451 4.120 0.001 0.000 0.305 145 V C -0.358 175.768 176.094 0.054 0.000 1.043 145 V CA -0.814 61.514 62.300 0.047 0.000 0.888 145 V CB 1.565 33.440 31.823 0.087 0.000 0.995 145 V HN 0.798 nan 8.190 nan 0.000 0.429 146 E N 4.573 124.803 120.200 0.051 0.000 2.152 146 E HA 0.351 4.701 4.350 0.001 0.000 0.285 146 E C -0.688 175.948 176.600 0.061 0.000 1.043 146 E CA -0.508 55.916 56.400 0.040 0.000 0.839 146 E CB 0.586 30.298 29.700 0.019 0.000 1.069 146 E HN 0.484 nan 8.360 nan 0.000 0.399 147 M N 4.211 123.873 119.600 0.104 0.000 2.478 147 M HA 0.311 4.792 4.480 0.001 0.000 0.327 147 M C -0.479 175.876 176.300 0.093 0.000 1.187 147 M CA -1.128 54.253 55.300 0.135 0.000 1.022 147 M CB 0.948 33.715 32.600 0.278 0.000 1.629 147 M HN 0.428 nan 8.290 nan 0.000 0.461 148 L N -0.177 120.952 121.223 -0.158 0.000 2.330 148 L HA 0.920 5.261 4.340 0.001 0.000 0.271 148 L C 0.303 176.500 176.870 -1.123 0.000 1.013 148 L CA -0.715 53.841 54.840 -0.473 0.000 0.816 148 L CB 0.408 42.235 42.059 -0.385 0.000 1.287 148 L HN 0.707 nan 8.230 nan 0.000 0.435 149 G N 0.586 108.359 108.800 -1.712 0.000 2.360 149 G HA2 0.245 4.206 3.960 0.001 0.000 0.279 149 G HA3 0.245 4.206 3.960 0.001 0.000 0.279 149 G C -0.980 173.584 174.900 -0.560 0.000 1.189 149 G CA -0.146 43.893 45.100 -1.768 0.000 0.941 149 G HN 0.582 nan 8.290 nan 0.000 0.445 150 Y N 4.710 124.730 120.300 -0.466 0.000 2.636 150 Y HA 0.282 4.833 4.550 0.001 0.000 0.341 150 Y C 0.635 176.554 175.900 0.032 0.000 1.169 150 Y CA -1.354 56.625 58.100 -0.202 0.000 1.498 150 Y CB -0.156 38.240 38.460 -0.107 0.000 1.362 150 Y HN 0.290 nan 8.280 nan 0.000 0.494 151 L N 5.227 126.577 121.223 0.211 0.000 2.371 151 L HA 0.314 4.655 4.340 0.001 0.000 0.272 151 L C -0.545 176.257 176.870 -0.114 0.000 1.124 151 L CA -0.070 54.880 54.840 0.183 0.000 0.816 151 L CB 0.519 42.586 42.059 0.014 0.000 1.129 151 L HN 0.314 nan 8.230 nan 0.000 0.448 152 F N 0.574 120.618 119.950 0.158 0.000 2.620 152 F HA 0.477 5.004 4.527 0.001 0.000 0.320 152 F C -0.274 175.482 175.800 -0.073 0.000 1.069 152 F CA -0.539 57.404 58.000 -0.095 0.000 0.953 152 F CB 1.635 40.433 39.000 -0.337 0.000 1.322 152 F HN 0.075 nan 8.300 nan 0.000 0.479 153 F N 2.088 122.148 119.950 0.184 0.000 2.424 153 F HA 0.483 5.010 4.527 0.001 0.000 0.356 153 F C -0.006 175.807 175.800 0.022 0.000 1.110 153 F CA -0.871 57.185 58.000 0.093 0.000 1.161 153 F CB 0.735 39.772 39.000 0.061 0.000 1.115 153 F HN -0.085 nan 8.300 nan 0.000 0.507 154 V N 3.591 123.631 119.914 0.210 0.000 2.539 154 V HA 0.677 4.797 4.120 0.001 0.000 0.292 154 V C 0.622 176.707 176.094 -0.015 0.000 1.045 154 V CA -0.813 61.499 62.300 0.020 0.000 0.945 154 V CB 1.210 33.048 31.823 0.025 0.000 0.993 154 V HN 0.848 nan 8.190 nan 0.000 0.464 155 G N 1.404 110.134 108.800 -0.116 0.000 2.488 155 G HA2 0.238 4.199 3.960 0.001 0.000 0.318 155 G HA3 0.238 4.199 3.960 0.001 0.000 0.318 155 G C -0.126 174.695 174.900 -0.130 0.000 1.188 155 G CA -0.652 44.380 45.100 -0.114 0.000 0.944 155 G HN 0.608 nan 8.290 nan 0.000 0.495 156 N N 0.094 118.741 118.700 -0.088 0.000 2.400 156 N HA -0.018 4.722 4.740 0.001 0.000 0.267 156 N C 1.880 177.336 175.510 -0.091 0.000 1.208 156 N CA -0.287 52.720 53.050 -0.071 0.000 0.951 156 N CB 0.564 39.028 38.487 -0.037 0.000 1.227 156 N HN 0.628 nan 8.380 nan 0.000 0.488 157 R N 2.997 123.414 120.500 -0.137 0.000 2.189 157 R HA -0.046 4.295 4.340 0.001 0.000 0.223 157 R C 1.097 177.412 176.300 0.024 0.000 1.092 157 R CA 0.999 57.026 56.100 -0.121 0.000 0.989 157 R CB 0.002 30.198 30.300 -0.174 0.000 0.876 157 R HN 0.340 nan 8.270 nan 0.000 0.457 158 K N 1.103 121.498 120.400 -0.009 0.000 2.148 158 K HA 0.040 4.360 4.320 0.001 0.000 0.204 158 K C 1.724 178.313 176.600 -0.017 0.000 1.050 158 K CA 1.097 57.380 56.287 -0.008 0.000 0.942 158 K CB -0.032 32.461 32.500 -0.013 0.000 0.724 158 K HN 0.260 nan 8.250 nan 0.000 0.446 159 A N 2.083 124.895 122.820 -0.014 0.000 2.176 159 A HA -0.027 4.293 4.320 0.001 0.000 0.214 159 A C 0.456 178.027 177.584 -0.021 0.000 1.327 159 A CA 0.758 52.788 52.037 -0.011 0.000 1.015 159 A CB -0.876 18.125 19.000 0.002 0.000 0.818 159 A HN 0.398 nan 8.150 nan 0.000 0.500 160 T N -4.834 109.677 114.554 -0.071 0.000 2.853 160 T HA 0.572 4.922 4.350 0.001 0.000 0.311 160 T C -2.951 171.575 174.700 -0.290 0.000 1.307 160 T CA -0.867 61.081 62.100 -0.254 0.000 1.019 160 T CB 2.089 70.911 68.868 -0.076 0.000 1.264 160 T HN -0.064 nan 8.240 nan 0.000 0.497 161 P HA 0.355 nan 4.420 nan 0.000 0.258 161 P C -0.141 177.018 177.300 -0.235 0.000 1.416 161 P CA -0.326 62.590 63.100 -0.305 0.000 0.927 161 P CB 0.104 31.610 31.700 -0.323 0.000 1.444 162 L N 2.681 123.755 121.223 -0.248 0.000 2.350 162 L HA 0.274 4.615 4.340 0.001 0.000 0.275 162 L C -1.253 175.437 176.870 -0.301 0.000 1.099 162 L CA -2.113 52.556 54.840 -0.284 0.000 0.808 162 L CB 0.818 42.609 42.059 -0.447 0.000 1.149 162 L HN -0.173 nan 8.230 nan 0.000 0.442 163 P HA -0.059 nan 4.420 nan 0.000 0.246 163 P C -0.747 176.364 177.300 -0.314 0.000 1.675 163 P CA 0.065 63.037 63.100 -0.213 0.000 0.908 163 P CB -0.594 31.075 31.700 -0.053 0.000 1.890 164 Y N 1.152 121.344 120.300 -0.181 0.000 2.544 164 Y HA -0.015 4.535 4.550 0.001 0.000 0.330 164 Y C 1.914 177.721 175.900 -0.156 0.000 1.136 164 Y CA -0.572 57.425 58.100 -0.172 0.000 1.417 164 Y CB 0.521 38.917 38.460 -0.107 0.000 1.229 164 Y HN 0.294 nan 8.280 nan 0.000 0.532 165 Q N 1.945 121.734 119.800 -0.018 0.000 2.584 165 Q HA 0.428 4.768 4.340 0.001 0.000 0.235 165 Q C -0.573 175.197 176.000 -0.384 0.000 1.079 165 Q CA -0.395 55.288 55.803 -0.200 0.000 0.977 165 Q CB 0.893 29.473 28.738 -0.264 0.000 1.293 165 Q HN 0.613 nan 8.270 nan 0.000 0.553 166 S N -0.246 115.168 115.700 -0.476 0.000 2.550 166 S HA 0.374 4.844 4.470 0.001 0.000 0.270 166 S C -0.998 173.380 174.600 -0.369 0.000 1.145 166 S CA -1.023 56.888 58.200 -0.482 0.000 0.852 166 S CB 1.814 64.905 63.200 -0.182 0.000 1.119 166 S HN 0.716 nan 8.310 nan 0.000 0.465 167 Q N 1.107 120.785 119.800 -0.203 0.000 3.394 167 Q HA 0.287 4.628 4.340 0.001 0.000 0.285 167 Q C -2.185 173.826 176.000 0.018 0.000 0.866 167 Q CA -1.608 54.160 55.803 -0.058 0.000 0.844 167 Q CB 1.674 30.420 28.738 0.012 0.000 1.472 167 Q HN 0.599 nan 8.270 nan 0.000 0.401 168 P HA -0.137 nan 4.420 nan 0.000 0.220 168 P C 0.018 177.330 177.300 0.020 0.000 1.148 168 P CA 1.176 64.283 63.100 0.012 0.000 0.803 168 P CB 0.530 32.228 31.700 -0.004 0.000 0.782 169 D N -1.067 119.343 120.400 0.018 0.000 2.398 169 D HA 0.015 4.656 4.640 0.001 0.000 0.210 169 D C 0.502 176.825 176.300 0.039 0.000 1.094 169 D CA -0.015 53.999 54.000 0.023 0.000 0.839 169 D CB 0.038 40.846 40.800 0.014 0.000 0.963 169 D HN 0.183 nan 8.370 nan 0.000 0.506 170 D N 1.183 121.618 120.400 0.057 0.000 2.493 170 D HA -0.023 4.617 4.640 0.001 0.000 0.240 170 D C 1.138 177.489 176.300 0.086 0.000 1.142 170 D CA 0.208 54.263 54.000 0.093 0.000 0.872 170 D CB 1.367 42.261 40.800 0.158 0.000 1.173 170 D HN -0.095 nan 8.370 nan 0.000 0.467 171 S N 2.646 118.392 115.700 0.077 0.000 2.359 171 S HA -0.196 4.275 4.470 0.001 0.000 0.223 171 S C 1.427 176.051 174.600 0.041 0.000 1.039 171 S CA 0.415 58.646 58.200 0.051 0.000 1.042 171 S CB -0.386 62.840 63.200 0.043 0.000 0.915 171 S HN 0.717 nan 8.310 nan 0.000 0.439 172 C N 3.556 122.881 119.300 0.042 0.000 2.662 172 C HA 0.114 4.574 4.460 0.001 0.000 0.402 172 C C 1.318 176.314 174.990 0.010 0.000 1.397 172 C CA -0.852 58.145 59.018 -0.035 0.000 1.575 172 C CB -1.627 25.974 27.740 -0.232 0.000 2.406 172 C HN 0.485 nan 8.230 nan 0.000 0.609 173 D N 3.395 123.811 120.400 0.027 0.000 2.154 173 D HA -0.223 4.418 4.640 0.001 0.000 0.190 173 D C 1.631 177.983 176.300 0.087 0.000 1.003 173 D CA 2.297 56.336 54.000 0.065 0.000 0.849 173 D CB -0.213 40.639 40.800 0.087 0.000 0.942 173 D HN 0.923 nan 8.370 nan 0.000 0.446 174 W N 0.854 122.110 121.300 -0.073 0.000 2.335 174 W HA -0.280 4.381 4.660 0.001 0.000 0.311 174 W C 1.586 178.132 176.519 0.045 0.000 1.213 174 W CA 1.210 58.520 57.345 -0.058 0.000 1.274 174 W CB -0.620 28.772 29.460 -0.114 0.000 1.148 174 W HN 0.203 nan 8.180 nan 0.000 0.498 175 Y N 0.043 120.239 120.300 -0.173 0.000 2.333 175 Y HA -0.256 4.295 4.550 0.001 0.000 0.290 175 Y C 2.895 178.709 175.900 -0.144 0.000 1.144 175 Y CA 1.308 59.282 58.100 -0.210 0.000 1.228 175 Y CB -0.361 38.097 38.460 -0.003 0.000 0.985 175 Y HN 0.020 nan 8.280 nan 0.000 0.542 176 R N 0.534 121.066 120.500 0.054 0.000 2.064 176 R HA -0.032 4.308 4.340 0.001 0.000 0.221 176 R C 2.045 178.335 176.300 -0.016 0.000 1.136 176 R CA 0.567 56.705 56.100 0.063 0.000 0.980 176 R CB -0.308 30.028 30.300 0.059 0.000 0.876 176 R HN 0.257 nan 8.270 nan 0.000 0.437 177 L N 1.730 122.896 121.223 -0.095 0.000 2.191 177 L HA -0.113 4.227 4.340 0.001 0.000 0.212 177 L C 2.384 179.106 176.870 -0.246 0.000 1.103 177 L CA 1.338 56.113 54.840 -0.107 0.000 0.769 177 L CB -0.399 41.640 42.059 -0.034 0.000 0.908 177 L HN 0.286 nan 8.230 nan 0.000 0.438 178 R N -0.926 119.200 120.500 -0.624 0.000 2.377 178 R HA -0.124 4.217 4.340 0.001 0.000 0.207 178 R C 1.001 177.005 176.300 -0.494 0.000 1.075 178 R CA 1.091 56.715 56.100 -0.793 0.000 1.035 178 R CB -0.481 28.857 30.300 -1.605 0.000 0.857 178 R HN 0.504 nan 8.270 nan 0.000 0.475 179 H N -0.384 118.632 119.070 -0.090 0.000 3.170 179 H HA 0.272 4.829 4.556 0.001 0.000 0.264 179 H C -0.274 175.011 175.328 -0.072 0.000 1.113 179 H CA -0.322 55.689 56.048 -0.062 0.000 1.194 179 H CB 0.701 30.428 29.762 -0.059 0.000 1.553 179 H HN 0.190 nan 8.280 nan 0.000 0.538 180 E N 1.719 121.939 120.200 0.033 0.000 2.248 180 E HA 0.112 4.462 4.350 0.001 0.000 0.272 180 E C 0.272 176.875 176.600 0.005 0.000 1.008 180 E CA -0.514 55.895 56.400 0.015 0.000 0.856 180 E CB 1.985 31.697 29.700 0.021 0.000 1.120 180 E HN 0.315 nan 8.360 nan 0.000 0.397 181 E N 0.727 120.924 120.200 -0.005 0.000 2.508 181 E HA 0.126 4.477 4.350 0.001 0.000 0.266 181 E C -1.109 175.519 176.600 0.047 0.000 1.010 181 E CA 0.104 56.505 56.400 0.003 0.000 0.955 181 E CB 0.377 30.072 29.700 -0.007 0.000 0.946 181 E HN 0.473 nan 8.360 nan 0.000 0.454 182 A N 6.076 128.946 122.820 0.083 0.000 2.839 182 A HA 0.262 4.582 4.320 0.001 0.000 0.303 182 A C -0.476 177.247 177.584 0.230 0.000 1.181 182 A CA -0.647 51.480 52.037 0.150 0.000 0.808 182 A CB 0.662 19.772 19.000 0.184 0.000 1.391 182 A HN 0.562 nan 8.150 nan 0.000 0.433 183 M N 1.447 121.126 119.600 0.131 0.000 2.589 183 M HA 0.197 4.678 4.480 0.001 0.000 0.344 183 M C 0.365 176.670 176.300 0.009 0.000 1.168 183 M CA 0.454 55.763 55.300 0.014 0.000 0.956 183 M CB -0.514 32.027 32.600 -0.098 0.000 1.370 183 M HN 0.817 nan 8.290 nan 0.000 0.518 184 T N -4.011 110.642 114.554 0.166 0.000 2.883 184 T HA 0.521 4.871 4.350 0.001 0.000 0.301 184 T C -2.591 172.237 174.700 0.213 0.000 1.158 184 T CA -1.321 60.868 62.100 0.149 0.000 1.007 184 T CB 2.695 71.608 68.868 0.076 0.000 1.186 184 T HN -0.269 nan 8.240 nan 0.000 0.499 185 P HA -0.122 nan 4.420 nan 0.000 0.216 185 P C 0.884 178.243 177.300 0.099 0.000 1.154 185 P CA 1.302 64.487 63.100 0.141 0.000 0.865 185 P CB -0.013 31.751 31.700 0.106 0.000 0.789 186 D N -1.125 119.323 120.400 0.081 0.000 2.117 186 D HA -0.116 4.525 4.640 0.001 0.000 0.197 186 D C 1.994 178.337 176.300 0.072 0.000 0.987 186 D CA 1.571 55.606 54.000 0.060 0.000 0.829 186 D CB -0.852 39.976 40.800 0.046 0.000 0.961 186 D HN 0.074 nan 8.370 nan 0.000 0.460 187 A N 0.566 123.444 122.820 0.096 0.000 1.930 187 A HA -0.102 4.218 4.320 0.001 0.000 0.217 187 A C 2.409 180.066 177.584 0.120 0.000 1.175 187 A CA 1.777 53.879 52.037 0.108 0.000 0.627 187 A CB -0.621 18.454 19.000 0.125 0.000 0.815 187 A HN 0.241 nan 8.150 nan 0.000 0.443 188 V N -2.909 117.078 119.914 0.121 0.000 2.488 188 V HA -0.074 4.046 4.120 0.001 0.000 0.246 188 V C 2.109 178.227 176.094 0.039 0.000 1.046 188 V CA 1.681 64.025 62.300 0.075 0.000 1.053 188 V CB -1.031 30.781 31.823 -0.017 0.000 0.679 188 V HN 0.163 nan 8.190 nan 0.000 0.458 189 V N 0.760 120.698 119.914 0.041 0.000 2.343 189 V HA -0.202 3.918 4.120 0.001 0.000 0.247 189 V C 2.875 179.010 176.094 0.068 0.000 1.051 189 V CA 2.643 64.965 62.300 0.037 0.000 1.036 189 V CB -0.994 30.843 31.823 0.024 0.000 0.654 189 V HN 0.592 nan 8.190 nan 0.000 0.451 190 R N -0.384 120.160 120.500 0.073 0.000 2.092 190 R HA -0.149 4.192 4.340 0.001 0.000 0.231 190 R C 2.263 178.645 176.300 0.138 0.000 1.119 190 R CA 1.435 57.588 56.100 0.090 0.000 0.970 190 R CB -0.306 30.040 30.300 0.076 0.000 0.864 190 R HN 0.406 nan 8.270 nan 0.000 0.440 191 L N 0.698 122.010 121.223 0.148 0.000 2.046 191 L HA -0.077 4.263 4.340 0.001 0.000 0.208 191 L C 2.239 179.252 176.870 0.238 0.000 1.077 191 L CA 2.111 57.092 54.840 0.235 0.000 0.747 191 L CB -0.677 41.523 42.059 0.235 0.000 0.896 191 L HN 0.264 nan 8.230 nan 0.000 0.432 192 A N -1.137 121.728 122.820 0.075 0.000 1.898 192 A HA -0.201 4.119 4.320 0.001 0.000 0.216 192 A C 2.178 179.852 177.584 0.150 0.000 1.181 192 A CA 1.581 53.551 52.037 -0.112 0.000 0.620 192 A CB -0.539 18.139 19.000 -0.536 0.000 0.819 192 A HN 0.544 nan 8.150 nan 0.000 0.442 193 E N -0.207 120.149 120.200 0.260 0.000 2.077 193 E HA -0.122 4.228 4.350 0.001 0.000 0.193 193 E C 2.285 179.065 176.600 0.301 0.000 0.989 193 E CA 1.050 57.649 56.400 0.332 0.000 0.800 193 E CB -0.276 29.529 29.700 0.175 0.000 0.746 193 E HN 0.621 nan 8.360 nan 0.000 0.452 194 A N 1.224 124.207 122.820 0.271 0.000 1.902 194 A HA -0.102 4.218 4.320 0.001 0.000 0.217 194 A C 2.360 180.105 177.584 0.267 0.000 1.181 194 A CA 1.627 53.839 52.037 0.293 0.000 0.623 194 A CB -0.614 18.616 19.000 0.382 0.000 0.818 194 A HN 0.301 nan 8.150 nan 0.000 0.443 195 A N -1.659 121.284 122.820 0.204 0.000 1.969 195 A HA -0.081 4.239 4.320 0.001 0.000 0.218 195 A C 2.102 179.797 177.584 0.186 0.000 1.169 195 A CA 1.525 53.521 52.037 -0.068 0.000 0.635 195 A CB -0.732 18.158 19.000 -0.184 0.000 0.810 195 A HN 0.747 nan 8.150 nan 0.000 0.445 196 Y N 0.271 120.700 120.300 0.215 0.000 2.133 196 Y HA -0.186 4.365 4.550 0.001 0.000 0.287 196 Y C 2.365 178.280 175.900 0.025 0.000 1.134 196 Y CA 2.140 60.353 58.100 0.187 0.000 1.133 196 Y CB -0.188 38.473 38.460 0.334 0.000 0.987 196 Y HN 0.444 nan 8.280 nan 0.000 0.502 197 E N 0.047 120.486 120.200 0.399 0.000 2.209 197 E HA -0.275 4.075 4.350 0.001 0.000 0.196 197 E C 1.880 178.421 176.600 -0.098 0.000 0.993 197 E CA 1.392 57.916 56.400 0.206 0.000 0.819 197 E CB -0.016 29.775 29.700 0.151 0.000 0.745 197 E HN 0.293 nan 8.360 nan 0.000 0.477 198 K N -0.855 119.387 120.400 -0.264 0.000 2.202 198 K HA -0.040 4.280 4.320 0.001 0.000 0.201 198 K C 0.952 176.993 176.600 -0.932 0.000 1.051 198 K CA 1.193 57.086 56.287 -0.657 0.000 0.977 198 K CB 0.049 31.984 32.500 -0.941 0.000 0.792 198 K HN 0.172 nan 8.250 nan 0.000 0.469 199 Y N -1.870 118.136 120.300 -0.490 0.000 2.526 199 Y HA 0.343 4.893 4.550 0.001 0.000 0.265 199 Y C 0.994 176.388 175.900 -0.844 0.000 1.092 199 Y CA -0.105 57.573 58.100 -0.704 0.000 1.277 199 Y CB 0.972 38.796 38.460 -1.060 0.000 1.228 199 Y HN 0.101 nan 8.280 nan 0.000 0.507 200 G N 0.782 109.102 108.800 -0.800 0.000 2.255 200 G HA2 -0.259 3.702 3.960 0.001 0.000 0.239 200 G HA3 -0.259 3.702 3.960 0.001 0.000 0.239 200 G C -0.483 173.928 174.900 -0.814 0.000 1.083 200 G CA -0.617 43.890 45.100 -0.988 0.000 0.826 200 G HN 0.102 nan 8.290 nan 0.000 0.493 201 F N 0.271 119.884 119.950 -0.560 0.000 2.484 201 F HA 0.365 4.892 4.527 0.001 0.000 0.360 201 F C 1.399 176.840 175.800 -0.599 0.000 1.101 201 F CA -0.077 57.565 58.000 -0.597 0.000 1.251 201 F CB 0.790 39.267 39.000 -0.871 0.000 1.132 201 F HN 0.095 nan 8.300 nan 0.000 0.570 202 N N 0.082 118.635 118.700 -0.245 0.000 2.282 202 N HA 0.052 4.793 4.740 0.001 0.000 0.185 202 N C -0.971 174.389 175.510 -0.250 0.000 1.099 202 N CA 0.130 53.094 53.050 -0.143 0.000 0.878 202 N CB 0.294 38.759 38.487 -0.036 0.000 0.993 202 N HN 0.401 nan 8.380 nan 0.000 0.481 203 D N -0.111 120.033 120.400 -0.426 0.000 2.646 203 D HA 0.313 4.953 4.640 0.001 0.000 0.245 203 D C -0.863 175.009 176.300 -0.714 0.000 1.099 203 D CA -0.292 53.474 54.000 -0.390 0.000 0.849 203 D CB 1.666 42.345 40.800 -0.201 0.000 1.448 203 D HN -0.125 nan 8.370 nan 0.000 0.489 204 F N 0.709 120.513 119.950 -0.244 0.000 2.579 204 F HA 0.451 4.978 4.527 0.001 0.000 0.324 204 F C 0.425 176.034 175.800 -0.319 0.000 1.058 204 F CA -0.918 56.891 58.000 -0.317 0.000 0.944 204 F CB 2.274 41.096 39.000 -0.296 0.000 1.245 204 F HN -0.008 nan 8.300 nan 0.000 0.477 205 K N 2.149 122.469 120.400 -0.133 0.000 2.482 205 K HA 0.669 4.989 4.320 0.001 0.000 0.251 205 K C -2.304 174.177 176.600 -0.198 0.000 0.936 205 K CA -0.769 55.357 56.287 -0.268 0.000 0.791 205 K CB 2.103 34.295 32.500 -0.514 0.000 1.213 205 K HN 0.630 nan 8.250 nan 0.000 0.428 206 L N 3.660 124.763 121.223 -0.201 0.000 2.305 206 L HA 0.478 4.819 4.340 0.001 0.000 0.284 206 L C -0.813 175.923 176.870 -0.223 0.000 1.013 206 L CA -0.349 54.354 54.840 -0.229 0.000 0.819 206 L CB 1.315 43.229 42.059 -0.241 0.000 1.227 206 L HN 0.644 nan 8.230 nan 0.000 0.417 207 K N 3.319 123.523 120.400 -0.327 0.000 2.350 207 K HA 0.628 4.948 4.320 0.001 0.000 0.279 207 K C 0.045 176.607 176.600 -0.064 0.000 1.027 207 K CA 0.517 56.675 56.287 -0.215 0.000 0.969 207 K CB 0.791 33.038 32.500 -0.422 0.000 0.954 207 K HN 0.825 nan 8.250 nan 0.000 0.474 208 G N 0.891 109.702 108.800 0.018 0.000 3.209 208 G HA2 0.511 4.472 3.960 0.001 0.000 0.236 208 G HA3 0.511 4.472 3.960 0.001 0.000 0.236 208 G C 0.146 175.123 174.900 0.130 0.000 1.329 208 G CA -0.620 44.559 45.100 0.131 0.000 1.015 208 G HN 1.103 nan 8.290 nan 0.000 0.571 209 G N -2.289 106.606 108.800 0.159 0.000 2.160 209 G HA2 -0.131 3.830 3.960 0.001 0.000 0.244 209 G HA3 -0.131 3.830 3.960 0.001 0.000 0.244 209 G C 0.586 175.580 174.900 0.158 0.000 1.022 209 G CA 0.707 45.877 45.100 0.117 0.000 0.741 209 G HN 1.179 nan 8.290 nan 0.000 0.508 210 V N -0.555 119.483 119.914 0.206 0.000 2.854 210 V HA 0.424 4.544 4.120 0.001 0.000 0.236 210 V C 1.617 177.736 176.094 0.041 0.000 1.157 210 V CA 1.477 63.857 62.300 0.133 0.000 1.187 210 V CB 0.010 31.946 31.823 0.190 0.000 0.949 210 V HN 0.363 nan 8.190 nan 0.000 0.488 211 L N -0.406 120.825 121.223 0.014 0.000 2.347 211 L HA 0.768 5.109 4.340 0.001 0.000 0.268 211 L C 0.324 177.241 176.870 0.079 0.000 1.019 211 L CA -0.832 53.983 54.840 -0.042 0.000 0.806 211 L CB 0.799 42.733 42.059 -0.208 0.000 1.339 211 L HN 0.134 nan 8.230 nan 0.000 0.463 212 A N 0.112 122.955 122.820 0.038 0.000 2.524 212 A HA 0.330 4.650 4.320 0.001 0.000 0.250 212 A C 1.274 178.894 177.584 0.061 0.000 1.078 212 A CA 0.385 52.448 52.037 0.044 0.000 0.761 212 A CB 0.113 19.108 19.000 -0.008 0.000 1.012 212 A HN 0.943 nan 8.150 nan 0.000 0.500 213 G N 2.011 110.840 108.800 0.048 0.000 2.556 213 G HA2 -0.312 3.648 3.960 0.001 0.000 0.220 213 G HA3 -0.312 3.648 3.960 0.001 0.000 0.220 213 G C 1.058 175.879 174.900 -0.132 0.000 1.156 213 G CA 1.559 46.615 45.100 -0.074 0.000 0.766 213 G HN 0.835 nan 8.290 nan 0.000 0.583 214 E N -0.004 120.086 120.200 -0.184 0.000 2.160 214 E HA -0.080 4.271 4.350 0.001 0.000 0.195 214 E C 2.231 178.800 176.600 -0.051 0.000 0.991 214 E CA 1.202 57.509 56.400 -0.155 0.000 0.810 214 E CB -0.123 29.476 29.700 -0.170 0.000 0.742 214 E HN 0.717 nan 8.360 nan 0.000 0.466 215 E N 0.492 120.688 120.200 -0.006 0.000 2.230 215 E HA -0.135 4.215 4.350 0.001 0.000 0.192 215 E C 1.447 178.123 176.600 0.126 0.000 0.987 215 E CA 0.492 56.914 56.400 0.038 0.000 0.841 215 E CB 0.162 29.866 29.700 0.008 0.000 0.783 215 E HN 0.298 nan 8.360 nan 0.000 0.481 216 E N 0.014 120.325 120.200 0.186 0.000 2.216 216 E HA -0.078 4.273 4.350 0.001 0.000 0.192 216 E C 1.906 178.657 176.600 0.252 0.000 0.988 216 E CA 0.544 57.139 56.400 0.324 0.000 0.834 216 E CB 0.075 30.035 29.700 0.432 0.000 0.772 216 E HN 0.275 nan 8.360 nan 0.000 0.479 217 A N 1.633 124.568 122.820 0.191 0.000 1.940 217 A HA -0.221 4.100 4.320 0.001 0.000 0.219 217 A C 1.900 179.612 177.584 0.213 0.000 1.176 217 A CA 1.294 53.459 52.037 0.213 0.000 0.631 217 A CB -0.237 18.902 19.000 0.232 0.000 0.814 217 A HN 0.062 nan 8.150 nan 0.000 0.446 218 E N 0.465 120.777 120.200 0.185 0.000 2.106 218 E HA -0.091 4.259 4.350 0.001 0.000 0.192 218 E C 2.259 178.937 176.600 0.130 0.000 0.984 218 E CA 1.351 57.845 56.400 0.157 0.000 0.806 218 E CB -0.687 29.087 29.700 0.123 0.000 0.750 218 E HN 0.584 nan 8.360 nan 0.000 0.458 219 S N 0.833 116.626 115.700 0.154 0.000 2.419 219 S HA -0.065 4.405 4.470 0.001 0.000 0.233 219 S C 1.885 176.523 174.600 0.064 0.000 1.016 219 S CA 0.536 58.810 58.200 0.123 0.000 0.974 219 S CB 0.009 63.313 63.200 0.173 0.000 0.786 219 S HN 0.163 nan 8.310 nan 0.000 0.492 220 I N 1.218 121.835 120.570 0.077 0.000 2.333 220 I HA -0.044 4.126 4.170 0.001 0.000 0.246 220 I C 2.253 178.393 176.117 0.037 0.000 1.106 220 I CA 0.844 62.172 61.300 0.045 0.000 1.411 220 I CB -1.343 36.696 38.000 0.065 0.000 1.082 220 I HN 0.157 nan 8.210 nan 0.000 0.420 221 V N 1.580 121.523 119.914 0.049 0.000 2.295 221 V HA -0.261 3.859 4.120 0.001 0.000 0.246 221 V C 2.869 178.976 176.094 0.022 0.000 1.049 221 V CA 1.814 64.125 62.300 0.019 0.000 1.024 221 V CB -1.297 30.546 31.823 0.033 0.000 0.648 221 V HN 0.423 nan 8.190 nan 0.000 0.447 222 A N -0.036 122.807 122.820 0.037 0.000 1.851 222 A HA -0.230 4.090 4.320 0.001 0.000 0.216 222 A C 2.188 179.785 177.584 0.022 0.000 1.195 222 A CA 2.234 54.287 52.037 0.025 0.000 0.622 222 A CB -0.781 18.242 19.000 0.037 0.000 0.831 222 A HN 0.416 nan 8.150 nan 0.000 0.444 223 L N -0.463 120.782 121.223 0.035 0.000 2.079 223 L HA -0.148 4.192 4.340 0.001 0.000 0.210 223 L C 2.790 179.743 176.870 0.138 0.000 1.081 223 L CA 2.033 56.917 54.840 0.073 0.000 0.752 223 L CB -0.675 41.382 42.059 -0.003 0.000 0.896 223 L HN 0.413 nan 8.230 nan 0.000 0.433 224 A N -1.551 121.317 122.820 0.079 0.000 1.872 224 A HA -0.211 4.109 4.320 0.001 0.000 0.214 224 A C 2.139 179.763 177.584 0.067 0.000 1.187 224 A CA 1.442 53.530 52.037 0.086 0.000 0.614 224 A CB -0.456 18.566 19.000 0.036 0.000 0.826 224 A HN 0.576 nan 8.150 nan 0.000 0.442 225 Q N -1.111 118.701 119.800 0.020 0.000 2.124 225 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 225 Q C 2.279 178.242 176.000 -0.062 0.000 0.977 225 Q CA 1.596 57.390 55.803 -0.016 0.000 0.850 225 Q CB -0.187 28.537 28.738 -0.023 0.000 0.901 225 Q HN 0.545 nan 8.270 nan 0.000 0.429 226 R N 0.344 120.786 120.500 -0.097 0.000 2.090 226 R HA -0.043 4.298 4.340 0.001 0.000 0.228 226 R C -0.050 175.952 176.300 -0.496 0.000 1.110 226 R CA 1.104 57.018 56.100 -0.309 0.000 0.973 226 R CB 0.138 30.220 30.300 -0.363 0.000 0.869 226 R HN 0.077 nan 8.270 nan 0.000 0.440 227 F N 1.412 121.364 119.950 0.004 0.000 2.471 227 F HA 0.378 4.905 4.527 0.001 0.000 0.318 227 F C -1.528 174.310 175.800 0.063 0.000 1.308 227 F CA -2.235 55.803 58.000 0.063 0.000 1.162 227 F CB 1.789 40.886 39.000 0.162 0.000 1.383 227 F HN 0.024 nan 8.300 nan 0.000 0.552 228 P HA -0.248 nan 4.420 nan 0.000 0.217 228 P C 1.095 178.465 177.300 0.116 0.000 1.148 228 P CA 1.705 64.863 63.100 0.097 0.000 0.834 228 P CB 0.214 31.940 31.700 0.044 0.000 0.783 229 Q N -0.579 119.312 119.800 0.152 0.000 2.228 229 Q HA 0.553 4.894 4.340 0.001 0.000 0.211 229 Q C 1.008 177.093 176.000 0.143 0.000 0.890 229 Q CA 0.354 56.235 55.803 0.131 0.000 0.953 229 Q CB -0.538 28.274 28.738 0.124 0.000 1.053 229 Q HN 0.477 nan 8.270 nan 0.000 0.471 230 A N 0.408 123.332 122.820 0.173 0.000 2.355 230 A HA 0.762 5.083 4.320 0.001 0.000 0.324 230 A C -0.347 177.291 177.584 0.089 0.000 1.117 230 A CA -0.856 51.264 52.037 0.139 0.000 0.785 230 A CB 1.036 20.171 19.000 0.225 0.000 1.254 230 A HN 0.467 nan 8.150 nan 0.000 0.453 231 R N 1.225 121.746 120.500 0.035 0.000 2.248 231 R HA 0.401 4.742 4.340 0.001 0.000 0.328 231 R C -1.145 175.131 176.300 -0.041 0.000 1.067 231 R CA 0.116 56.221 56.100 0.008 0.000 0.924 231 R CB 0.260 30.576 30.300 0.027 0.000 1.013 231 R HN 0.581 nan 8.270 nan 0.000 0.454 232 I N 0.967 121.497 120.570 -0.067 0.000 2.648 232 I HA 0.334 4.505 4.170 0.001 0.000 0.304 232 I C 0.426 176.370 176.117 -0.288 0.000 1.009 232 I CA -0.255 60.982 61.300 -0.104 0.000 1.114 232 I CB 2.266 40.252 38.000 -0.023 0.000 1.293 232 I HN 0.426 nan 8.210 nan 0.000 0.449 233 T N 4.995 119.346 114.554 -0.338 0.000 2.923 233 T HA 0.667 5.017 4.350 0.001 0.000 0.311 233 T C -1.964 172.579 174.700 -0.261 0.000 1.183 233 T CA -0.441 61.381 62.100 -0.463 0.000 1.020 233 T CB 1.127 69.447 68.868 -0.912 0.000 1.165 233 T HN 0.395 nan 8.240 nan 0.000 0.482 234 L N 3.574 124.691 121.223 -0.177 0.000 2.362 234 L HA 0.809 5.149 4.340 0.001 0.000 0.275 234 L C -1.353 175.432 176.870 -0.142 0.000 0.998 234 L CA -0.348 54.433 54.840 -0.099 0.000 0.820 234 L CB 1.886 43.973 42.059 0.046 0.000 1.270 234 L HN 0.704 nan 8.230 nan 0.000 0.415 235 D N 6.201 126.508 120.400 -0.155 0.000 2.408 235 D HA 0.455 5.095 4.640 0.001 0.000 0.261 235 D C -2.343 173.829 176.300 -0.213 0.000 1.190 235 D CA -1.758 52.132 54.000 -0.183 0.000 0.910 235 D CB 1.877 42.616 40.800 -0.103 0.000 1.097 235 D HN 0.375 nan 8.370 nan 0.000 0.522 236 P HA 0.159 nan 4.420 nan 0.000 0.254 236 P C -0.788 176.300 177.300 -0.354 0.000 1.494 236 P CA -0.283 62.532 63.100 -0.475 0.000 0.961 236 P CB -0.518 30.482 31.700 -1.166 0.000 1.493 237 N N 0.941 119.507 118.700 -0.223 0.000 2.689 237 N HA -0.189 4.552 4.740 0.001 0.000 0.263 237 N C 1.092 176.515 175.510 -0.144 0.000 0.987 237 N CA 1.057 54.037 53.050 -0.117 0.000 0.782 237 N CB -1.988 36.505 38.487 0.009 0.000 0.903 237 N HN 0.361 nan 8.380 nan 0.000 0.547 238 G N -1.143 107.520 108.800 -0.228 0.000 2.212 238 G HA2 -0.315 3.646 3.960 0.001 0.000 0.267 238 G HA3 -0.315 3.646 3.960 0.001 0.000 0.267 238 G C 1.261 176.082 174.900 -0.132 0.000 1.002 238 G CA 0.855 45.852 45.100 -0.171 0.000 0.729 238 G HN 1.005 nan 8.290 nan 0.000 0.517 239 A N -0.928 121.761 122.820 -0.219 0.000 1.972 239 A HA 0.220 4.540 4.320 0.001 0.000 0.219 239 A C 1.443 179.086 177.584 0.099 0.000 1.169 239 A CA 1.323 53.306 52.037 -0.090 0.000 0.635 239 A CB -0.249 18.689 19.000 -0.103 0.000 0.810 239 A HN 0.602 nan 8.150 nan 0.000 0.446 240 W N 0.564 121.865 121.300 0.002 0.000 1.992 240 W HA 0.475 5.135 4.660 0.001 0.000 0.360 240 W C 0.919 177.447 176.519 0.016 0.000 1.369 240 W CA -0.589 56.763 57.345 0.011 0.000 1.403 240 W CB -0.371 29.101 29.460 0.019 0.000 1.215 240 W HN 0.314 nan 8.180 nan 0.000 0.643 241 S N 0.121 115.989 115.700 0.281 0.000 2.713 241 S HA 0.307 4.777 4.470 0.001 0.000 0.283 241 S C 0.672 175.386 174.600 0.190 0.000 1.161 241 S CA -0.698 57.606 58.200 0.174 0.000 0.999 241 S CB 1.384 64.655 63.200 0.118 0.000 1.039 241 S HN 0.370 nan 8.310 nan 0.000 0.548 242 L N 1.549 122.864 121.223 0.153 0.000 2.012 242 L HA -0.122 4.219 4.340 0.001 0.000 0.210 242 L C 2.021 178.994 176.870 0.173 0.000 1.073 242 L CA 1.919 56.863 54.840 0.174 0.000 0.748 242 L CB -1.477 40.652 42.059 0.117 0.000 0.891 242 L HN 0.771 nan 8.230 nan 0.000 0.431 243 N N -0.129 118.637 118.700 0.109 0.000 2.120 243 N HA -0.199 4.542 4.740 0.001 0.000 0.188 243 N C 1.657 177.202 175.510 0.059 0.000 1.024 243 N CA 1.801 54.893 53.050 0.070 0.000 0.852 243 N CB -0.236 38.274 38.487 0.039 0.000 1.003 243 N HN 0.596 nan 8.380 nan 0.000 0.424 244 E N 1.076 121.308 120.200 0.053 0.000 2.106 244 E HA -0.058 4.293 4.350 0.001 0.000 0.192 244 E C 2.042 178.634 176.600 -0.013 0.000 0.984 244 E CA 0.912 57.287 56.400 -0.043 0.000 0.806 244 E CB -0.062 29.579 29.700 -0.098 0.000 0.750 244 E HN 0.345 nan 8.360 nan 0.000 0.458 245 A N 1.480 124.436 122.820 0.227 0.000 1.873 245 A HA -0.150 4.170 4.320 0.001 0.000 0.215 245 A C 2.207 180.090 177.584 0.498 0.000 1.186 245 A CA 0.989 53.321 52.037 0.492 0.000 0.616 245 A CB -0.576 18.768 19.000 0.575 0.000 0.823 245 A HN 0.118 nan 8.150 nan 0.000 0.442 246 I N -0.464 120.298 120.570 0.320 0.000 2.226 246 I HA -0.276 3.895 4.170 0.001 0.000 0.245 246 I C 2.558 178.701 176.117 0.043 0.000 1.100 246 I CA 1.884 63.236 61.300 0.087 0.000 1.374 246 I CB -0.323 37.693 38.000 0.027 0.000 1.057 246 I HN 0.424 nan 8.210 nan 0.000 0.413 247 K N 1.798 122.221 120.400 0.038 0.000 1.965 247 K HA -0.171 4.150 4.320 0.001 0.000 0.214 247 K C 2.207 178.821 176.600 0.024 0.000 1.046 247 K CA 1.610 57.897 56.287 0.000 0.000 0.944 247 K CB -0.165 32.305 32.500 -0.050 0.000 0.726 247 K HN 0.148 nan 8.250 nan 0.000 0.441 248 I N 1.003 121.553 120.570 -0.033 0.000 2.145 248 I HA -0.281 3.889 4.170 0.001 0.000 0.244 248 I C 2.499 178.712 176.117 0.161 0.000 1.075 248 I CA 1.677 62.967 61.300 -0.017 0.000 1.332 248 I CB -0.829 36.985 38.000 -0.310 0.000 1.033 248 I HN 0.523 nan 8.210 nan 0.000 0.410 249 G N 0.630 109.562 108.800 0.220 0.000 2.421 249 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 249 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 249 G C 1.738 176.704 174.900 0.109 0.000 1.171 249 G CA 0.574 45.823 45.100 0.249 0.000 0.775 249 G HN 0.323 nan 8.290 nan 0.000 0.543 250 K N -0.742 119.692 120.400 0.058 0.000 2.063 250 K HA -0.145 4.175 4.320 0.001 0.000 0.208 250 K C 2.210 178.858 176.600 0.080 0.000 1.048 250 K CA 1.412 57.718 56.287 0.031 0.000 0.928 250 K CB -0.324 32.186 32.500 0.016 0.000 0.713 250 K HN 0.463 nan 8.250 nan 0.000 0.442 251 Y N 0.863 121.159 120.300 -0.007 0.000 2.373 251 Y HA -0.052 4.498 4.550 0.001 0.000 0.293 251 Y C 1.405 177.312 175.900 0.011 0.000 1.129 251 Y CA 1.001 59.098 58.100 -0.005 0.000 1.226 251 Y CB 0.151 38.600 38.460 -0.018 0.000 1.000 251 Y HN -0.060 nan 8.280 nan 0.000 0.549 252 L N 0.429 121.647 121.223 -0.008 0.000 2.607 252 L HA 0.093 4.433 4.340 0.001 0.000 0.228 252 L C 1.159 178.002 176.870 -0.046 0.000 1.123 252 L CA 0.065 54.857 54.840 -0.081 0.000 0.890 252 L CB -0.095 42.008 42.059 0.074 0.000 1.103 252 L HN -0.084 nan 8.230 nan 0.000 0.468 253 K N 1.368 121.756 120.400 -0.021 0.000 2.620 253 K HA 0.021 4.342 4.320 0.001 0.000 0.234 253 K C 0.825 177.407 176.600 -0.030 0.000 1.194 253 K CA 0.521 56.803 56.287 -0.008 0.000 1.186 253 K CB -0.440 32.056 32.500 -0.008 0.000 1.270 253 K HN 0.304 nan 8.250 nan 0.000 0.235 254 G N -0.862 107.915 108.800 -0.039 0.000 4.275 254 G HA2 -0.068 3.893 3.960 0.001 0.000 0.153 254 G HA3 -0.068 3.893 3.960 0.001 0.000 0.153 254 G C 0.669 175.549 174.900 -0.033 0.000 0.977 254 G CA -0.252 44.824 45.100 -0.040 0.000 0.809 254 G HN 0.362 nan 8.290 nan 0.000 0.528 255 S N 0.013 115.690 115.700 -0.038 0.000 2.564 255 S HA 0.392 4.862 4.470 0.001 0.000 0.231 255 S C 0.693 175.287 174.600 -0.009 0.000 1.067 255 S CA -0.178 58.009 58.200 -0.022 0.000 0.908 255 S CB 0.361 63.539 63.200 -0.037 0.000 0.809 255 S HN 0.170 nan 8.310 nan 0.000 0.491 256 L N 1.852 123.072 121.223 -0.006 0.000 2.331 256 L HA 0.418 4.758 4.340 0.001 0.000 0.278 256 L C 1.279 178.143 176.870 -0.009 0.000 1.106 256 L CA -0.514 54.312 54.840 -0.024 0.000 0.824 256 L CB 0.924 42.991 42.059 0.013 0.000 1.142 256 L HN 0.200 nan 8.230 nan 0.000 0.443 257 A N 4.115 126.897 122.820 -0.063 0.000 2.021 257 A HA 0.076 4.396 4.320 0.001 0.000 0.216 257 A C 0.166 177.869 177.584 0.198 0.000 1.163 257 A CA 0.944 53.013 52.037 0.052 0.000 0.676 257 A CB -0.045 18.992 19.000 0.061 0.000 0.818 257 A HN 0.764 nan 8.150 nan 0.000 0.453 258 Y N -5.453 114.867 120.300 0.033 0.000 2.661 258 Y HA 0.578 5.129 4.550 0.001 0.000 0.339 258 Y C -0.721 175.211 175.900 0.053 0.000 1.186 258 Y CA -1.365 56.764 58.100 0.049 0.000 1.137 258 Y CB 0.182 38.653 38.460 0.018 0.000 1.354 258 Y HN 0.213 nan 8.280 nan 0.000 0.469 259 A N 2.092 125.074 122.820 0.269 0.000 2.290 259 A HA 0.569 4.889 4.320 0.001 0.000 0.310 259 A C -0.634 177.021 177.584 0.119 0.000 1.202 259 A CA -0.574 51.553 52.037 0.150 0.000 0.837 259 A CB 0.981 20.125 19.000 0.240 0.000 1.139 259 A HN 0.741 nan 8.150 nan 0.000 0.509 260 E N 2.459 122.665 120.200 0.011 0.000 2.134 260 E HA 0.252 4.602 4.350 0.001 0.000 0.278 260 E C -0.893 175.611 176.600 -0.160 0.000 0.959 260 E CA -0.547 55.845 56.400 -0.014 0.000 0.783 260 E CB 0.422 30.133 29.700 0.017 0.000 1.095 260 E HN 0.679 nan 8.360 nan 0.000 0.399 261 D N 5.133 125.432 120.400 -0.168 0.000 2.740 261 D HA -0.160 4.480 4.640 0.001 0.000 0.231 261 D C -1.689 174.402 176.300 -0.349 0.000 1.194 261 D CA 0.338 54.209 54.000 -0.215 0.000 0.673 261 D CB -0.355 40.352 40.800 -0.155 0.000 0.995 261 D HN 0.512 nan 8.370 nan 0.000 0.411 262 P HA -0.139 nan 4.420 nan 0.000 0.217 262 P C 0.942 178.054 177.300 -0.314 0.000 1.150 262 P CA 1.270 64.064 63.100 -0.509 0.000 0.832 262 P CB 0.140 31.411 31.700 -0.714 0.000 0.787 263 C N -4.068 115.081 119.300 -0.252 0.000 3.336 263 C HA 0.952 5.412 4.460 0.001 0.000 0.352 263 C C 0.479 175.429 174.990 -0.067 0.000 1.567 263 C CA -0.202 58.775 59.018 -0.069 0.000 1.328 263 C CB 1.433 29.200 27.740 0.045 0.000 1.922 263 C HN 0.370 nan 8.230 nan 0.000 0.439 264 G N -0.534 108.267 108.800 0.001 0.000 2.933 264 G HA2 0.776 4.736 3.960 0.001 0.000 0.203 264 G HA3 0.776 4.736 3.960 0.001 0.000 0.203 264 G C -0.603 174.329 174.900 0.054 0.000 1.170 264 G CA -0.019 45.089 45.100 0.013 0.000 0.880 264 G HN 1.741 nan 8.290 nan 0.000 0.573 265 A N -0.026 122.828 122.820 0.056 0.000 2.462 265 A HA 0.608 4.929 4.320 0.001 0.000 0.243 265 A C 0.245 177.883 177.584 0.090 0.000 1.076 265 A CA 1.029 53.114 52.037 0.079 0.000 0.773 265 A CB -0.234 18.799 19.000 0.055 0.000 1.010 265 A HN 1.226 nan 8.150 nan 0.000 0.493 266 E N 1.002 121.280 120.200 0.130 0.000 2.393 266 E HA 0.303 4.654 4.350 0.001 0.000 0.282 266 E C -0.891 175.822 176.600 0.189 0.000 1.096 266 E CA -0.767 55.710 56.400 0.129 0.000 0.866 266 E CB 0.108 29.882 29.700 0.123 0.000 1.232 266 E HN 0.624 nan 8.360 nan 0.000 0.431 267 Q N 0.623 120.496 119.800 0.122 0.000 2.453 267 Q HA -0.304 4.036 4.340 0.001 0.000 0.294 267 Q C 0.856 176.802 176.000 -0.091 0.000 1.295 267 Q CA 1.212 57.074 55.803 0.098 0.000 0.853 267 Q CB -2.049 26.841 28.738 0.253 0.000 1.193 267 Q HN 1.421 nan 8.270 nan 0.000 0.461 268 G N -1.355 107.374 108.800 -0.118 0.000 2.245 268 G HA2 -0.352 3.608 3.960 0.001 0.000 0.264 268 G HA3 -0.352 3.608 3.960 0.001 0.000 0.264 268 G C -0.052 174.660 174.900 -0.313 0.000 0.985 268 G CA 0.474 45.420 45.100 -0.257 0.000 0.625 268 G HN 0.363 nan 8.290 nan 0.000 0.536 269 F N 2.426 122.382 119.950 0.009 0.000 2.396 269 F HA 0.589 5.117 4.527 0.001 0.000 0.343 269 F C 1.306 177.111 175.800 0.008 0.000 1.104 269 F CA -0.250 57.756 58.000 0.009 0.000 1.161 269 F CB 1.379 40.392 39.000 0.021 0.000 1.146 269 F HN 0.271 nan 8.300 nan 0.000 0.522 270 S N 1.406 117.213 115.700 0.178 0.000 2.608 270 S HA 0.305 4.775 4.470 0.001 0.000 0.261 270 S C 1.408 176.071 174.600 0.106 0.000 1.314 270 S CA -0.320 57.939 58.200 0.097 0.000 0.992 270 S CB 1.100 64.331 63.200 0.051 0.000 0.935 270 S HN 0.854 nan 8.310 nan 0.000 0.564 271 G N 0.775 109.617 108.800 0.069 0.000 2.442 271 G HA2 -0.181 3.780 3.960 0.001 0.000 0.219 271 G HA3 -0.181 3.780 3.960 0.001 0.000 0.219 271 G C 1.551 176.488 174.900 0.061 0.000 1.141 271 G CA 0.479 45.612 45.100 0.056 0.000 0.763 271 G HN 0.800 nan 8.290 nan 0.000 0.554 272 R N 0.274 120.816 120.500 0.071 0.000 2.090 272 R HA 0.051 4.391 4.340 0.001 0.000 0.228 272 R C 2.484 178.835 176.300 0.085 0.000 1.110 272 R CA 1.225 57.374 56.100 0.082 0.000 0.973 272 R CB -0.181 30.181 30.300 0.103 0.000 0.869 272 R HN 0.451 nan 8.270 nan 0.000 0.440 273 E N 0.226 120.483 120.200 0.095 0.000 2.072 273 E HA -0.111 4.239 4.350 0.001 0.000 0.190 273 E C 2.028 178.655 176.600 0.044 0.000 0.982 273 E CA 1.108 57.561 56.400 0.088 0.000 0.803 273 E CB 0.080 29.874 29.700 0.157 0.000 0.755 273 E HN 0.063 nan 8.360 nan 0.000 0.453 274 V N 1.463 121.414 119.914 0.062 0.000 2.307 274 V HA -0.260 3.861 4.120 0.001 0.000 0.245 274 V C 2.354 178.498 176.094 0.083 0.000 1.045 274 V CA 1.379 63.705 62.300 0.043 0.000 1.024 274 V CB -0.359 31.510 31.823 0.077 0.000 0.651 274 V HN 0.339 nan 8.190 nan 0.000 0.449 275 M N -0.199 119.448 119.600 0.079 0.000 2.144 275 M HA -0.218 4.262 4.480 0.001 0.000 0.260 275 M C 2.349 178.749 176.300 0.166 0.000 1.067 275 M CA 2.273 57.629 55.300 0.094 0.000 1.095 275 M CB -1.187 31.440 32.600 0.044 0.000 1.365 275 M HN 0.456 nan 8.290 nan 0.000 0.406 276 A N -0.041 122.847 122.820 0.114 0.000 1.898 276 A HA -0.155 4.165 4.320 0.001 0.000 0.216 276 A C 2.003 179.644 177.584 0.094 0.000 1.181 276 A CA 1.482 53.581 52.037 0.102 0.000 0.620 276 A CB -0.625 18.415 19.000 0.067 0.000 0.819 276 A HN 0.554 nan 8.150 nan 0.000 0.442 277 E N -1.262 118.978 120.200 0.066 0.000 2.085 277 E HA -0.212 4.138 4.350 0.001 0.000 0.194 277 E C 1.768 178.419 176.600 0.086 0.000 0.994 277 E CA 1.443 57.862 56.400 0.032 0.000 0.801 277 E CB -0.304 29.377 29.700 -0.032 0.000 0.743 277 E HN 0.745 nan 8.360 nan 0.000 0.453 278 F N 1.888 121.844 119.950 0.011 0.000 2.113 278 F HA -0.131 4.396 4.527 0.001 0.000 0.297 278 F C 2.463 178.287 175.800 0.041 0.000 1.103 278 F CA 1.541 59.563 58.000 0.037 0.000 1.248 278 F CB -0.118 38.921 39.000 0.064 0.000 0.999 278 F HN -0.232 nan 8.300 nan 0.000 0.475 279 R N 0.396 121.073 120.500 0.294 0.000 2.080 279 R HA -0.221 4.120 4.340 0.001 0.000 0.236 279 R C 2.640 178.922 176.300 -0.030 0.000 1.137 279 R CA 2.028 58.222 56.100 0.157 0.000 0.943 279 R CB -0.478 29.941 30.300 0.198 0.000 0.846 279 R HN 0.327 nan 8.270 nan 0.000 0.431 280 R N -0.289 120.203 120.500 -0.013 0.000 2.075 280 R HA -0.079 4.261 4.340 0.001 0.000 0.232 280 R C 2.127 178.376 176.300 -0.085 0.000 1.126 280 R CA 1.438 57.516 56.100 -0.036 0.000 0.963 280 R CB -0.278 30.013 30.300 -0.015 0.000 0.858 280 R HN 0.340 nan 8.270 nan 0.000 0.435 281 A N 0.046 122.793 122.820 -0.121 0.000 1.877 281 A HA -0.171 4.150 4.320 0.001 0.000 0.216 281 A C 2.222 179.682 177.584 -0.206 0.000 1.186 281 A CA 2.139 54.090 52.037 -0.143 0.000 0.620 281 A CB -0.882 18.042 19.000 -0.127 0.000 0.822 281 A HN 0.639 nan 8.150 nan 0.000 0.443 282 T N -4.909 109.418 114.554 -0.379 0.000 2.939 282 T HA 0.379 4.730 4.350 0.001 0.000 0.254 282 T C 1.619 176.190 174.700 -0.215 0.000 1.041 282 T CA 1.374 63.248 62.100 -0.376 0.000 1.142 282 T CB -0.230 68.194 68.868 -0.741 0.000 0.874 282 T HN 1.763 nan 8.240 nan 0.000 0.452 283 G N 1.835 110.521 108.800 -0.190 0.000 2.175 283 G HA2 -0.157 3.803 3.960 0.001 0.000 0.244 283 G HA3 -0.157 3.803 3.960 0.001 0.000 0.244 283 G C -0.020 174.867 174.900 -0.022 0.000 0.982 283 G CA 0.135 45.190 45.100 -0.076 0.000 0.641 283 G HN 1.050 nan 8.290 nan 0.000 0.527 284 L N -1.780 119.439 121.223 -0.008 0.000 2.334 284 L HA 0.874 5.214 4.340 0.001 0.000 0.275 284 L C -2.346 174.622 176.870 0.163 0.000 1.036 284 L CA -2.548 52.344 54.840 0.086 0.000 0.807 284 L CB 0.990 43.119 42.059 0.117 0.000 1.231 284 L HN -0.174 nan 8.230 nan 0.000 0.438 285 P HA 0.058 nan 4.420 nan 0.000 0.262 285 P C -0.454 176.984 177.300 0.229 0.000 1.182 285 P CA 0.235 63.432 63.100 0.161 0.000 0.761 285 P CB 0.622 32.402 31.700 0.134 0.000 0.795 286 T N 0.425 115.085 114.554 0.177 0.000 2.925 286 T HA 0.821 5.172 4.350 0.001 0.000 0.285 286 T C -0.440 174.281 174.700 0.035 0.000 1.021 286 T CA -0.807 61.391 62.100 0.163 0.000 1.042 286 T CB 1.743 70.708 68.868 0.161 0.000 1.037 286 T HN 0.362 nan 8.240 nan 0.000 0.481 287 A N 1.139 123.972 122.820 0.022 0.000 2.437 287 A HA 0.969 5.290 4.320 0.001 0.000 0.292 287 A C -0.047 177.499 177.584 -0.064 0.000 1.173 287 A CA -0.901 51.081 52.037 -0.091 0.000 0.785 287 A CB 1.825 20.721 19.000 -0.173 0.000 1.351 287 A HN 1.191 nan 8.150 nan 0.000 0.431 288 T N -0.365 114.130 114.554 -0.099 0.000 2.786 288 T HA 0.471 4.821 4.350 0.001 0.000 0.316 288 T C -1.369 173.247 174.700 -0.140 0.000 1.503 288 T CA 0.049 62.094 62.100 -0.091 0.000 1.019 288 T CB 1.005 69.843 68.868 -0.051 0.000 1.415 288 T HN 1.235 nan 8.240 nan 0.000 0.496 289 N N 2.091 120.701 118.700 -0.150 0.000 2.261 289 N HA 0.130 4.871 4.740 0.001 0.000 0.241 289 N C 0.205 175.666 175.510 -0.083 0.000 1.374 289 N CA -0.255 52.632 53.050 -0.272 0.000 0.802 289 N CB 0.303 38.357 38.487 -0.721 0.000 1.339 289 N HN 0.557 nan 8.380 nan 0.000 0.498 290 M N 0.218 119.801 119.600 -0.028 0.000 2.279 290 M HA 0.348 4.828 4.480 0.001 0.000 0.278 290 M C 1.461 177.771 176.300 0.017 0.000 1.142 290 M CA 0.329 55.631 55.300 0.005 0.000 1.119 290 M CB 0.548 33.142 32.600 -0.009 0.000 1.741 290 M HN 0.143 nan 8.290 nan 0.000 0.601 291 I N -2.468 118.117 120.570 0.025 0.000 4.082 291 I HA 0.525 4.696 4.170 0.001 0.000 0.337 291 I C 0.623 176.788 176.117 0.080 0.000 1.352 291 I CA -0.161 61.166 61.300 0.045 0.000 1.097 291 I CB 0.454 38.478 38.000 0.040 0.000 1.048 291 I HN 0.027 nan 8.210 nan 0.000 0.393 292 A N 1.440 124.322 122.820 0.103 0.000 3.234 292 A HA 0.327 4.648 4.320 0.001 0.000 0.247 292 A C 1.123 178.878 177.584 0.286 0.000 0.938 292 A CA 0.249 52.385 52.037 0.165 0.000 1.039 292 A CB -0.731 18.352 19.000 0.139 0.000 1.197 292 A HN 0.389 nan 8.150 nan 0.000 0.498 293 T N -2.355 112.303 114.554 0.173 0.000 3.023 293 T HA 0.148 4.499 4.350 0.001 0.000 0.266 293 T C 0.398 174.861 174.700 -0.394 0.000 1.093 293 T CA 1.227 63.405 62.100 0.129 0.000 1.129 293 T CB -0.461 68.406 68.868 -0.003 0.000 0.899 293 T HN 0.606 nan 8.240 nan 0.000 0.491 294 D N -2.184 118.024 120.400 -0.320 0.000 2.579 294 D HA 0.316 4.956 4.640 0.001 0.000 0.257 294 D C 0.134 176.381 176.300 -0.088 0.000 1.176 294 D CA -1.195 52.456 54.000 -0.581 0.000 0.914 294 D CB -0.020 40.585 40.800 -0.325 0.000 1.431 294 D HN 0.079 nan 8.370 nan 0.000 0.454 295 W N -0.080 121.298 121.300 0.131 0.000 2.338 295 W HA -0.067 4.594 4.660 0.001 0.000 0.304 295 W C 2.594 179.188 176.519 0.124 0.000 1.212 295 W CA 1.096 58.581 57.345 0.234 0.000 1.264 295 W CB -0.137 29.442 29.460 0.199 0.000 1.142 295 W HN 0.440 nan 8.180 nan 0.000 0.512 296 R N 0.764 121.434 120.500 0.284 0.000 2.096 296 R HA -0.261 4.079 4.340 0.001 0.000 0.240 296 R C 1.994 178.386 176.300 0.152 0.000 1.139 296 R CA 2.269 58.468 56.100 0.166 0.000 0.952 296 R CB -0.492 29.887 30.300 0.131 0.000 0.854 296 R HN 0.303 nan 8.270 nan 0.000 0.436 297 Q N -0.516 119.386 119.800 0.169 0.000 2.123 297 Q HA -0.140 4.201 4.340 0.001 0.000 0.199 297 Q C 2.042 178.159 176.000 0.194 0.000 0.966 297 Q CA 1.326 57.246 55.803 0.194 0.000 0.845 297 Q CB -0.064 28.756 28.738 0.136 0.000 0.907 297 Q HN 0.256 nan 8.270 nan 0.000 0.439 298 M N 0.557 120.289 119.600 0.220 0.000 2.202 298 M HA -0.083 4.397 4.480 0.001 0.000 0.262 298 M C 1.762 178.194 176.300 0.221 0.000 1.063 298 M CA 1.735 57.179 55.300 0.240 0.000 1.097 298 M CB -0.599 32.182 32.600 0.303 0.000 1.382 298 M HN 0.195 nan 8.290 nan 0.000 0.413 299 G N -1.109 107.790 108.800 0.166 0.000 2.414 299 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 299 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 299 G C 1.440 176.321 174.900 -0.032 0.000 1.188 299 G CA 0.863 45.985 45.100 0.037 0.000 0.783 299 G HN 0.568 nan 8.290 nan 0.000 0.537 300 H N 0.341 119.484 119.070 0.122 0.000 2.423 300 H HA -0.015 4.541 4.556 0.001 0.000 0.297 300 H C 2.864 178.247 175.328 0.091 0.000 1.075 300 H CA 1.504 57.608 56.048 0.094 0.000 1.342 300 H CB -0.505 29.307 29.762 0.084 0.000 1.395 300 H HN 0.232 nan 8.280 nan 0.000 0.530 301 T N 1.453 116.128 114.554 0.201 0.000 2.708 301 T HA -0.089 4.262 4.350 0.001 0.000 0.266 301 T C 2.429 177.204 174.700 0.124 0.000 1.037 301 T CA 0.761 62.952 62.100 0.152 0.000 1.146 301 T CB -0.271 68.681 68.868 0.141 0.000 0.865 301 T HN 0.189 nan 8.240 nan 0.000 0.435 302 L N 0.604 121.901 121.223 0.123 0.000 2.083 302 L HA -0.086 4.255 4.340 0.001 0.000 0.209 302 L C 2.849 179.754 176.870 0.059 0.000 1.083 302 L CA 0.931 55.826 54.840 0.091 0.000 0.752 302 L CB -0.489 41.626 42.059 0.094 0.000 0.899 302 L HN 0.225 nan 8.230 nan 0.000 0.433 303 S N -0.000 115.743 115.700 0.073 0.000 2.368 303 S HA -0.082 4.389 4.470 0.001 0.000 0.224 303 S C 1.832 176.475 174.600 0.072 0.000 1.029 303 S CA 1.145 59.385 58.200 0.067 0.000 0.988 303 S CB -0.159 63.100 63.200 0.098 0.000 0.838 303 S HN 0.309 nan 8.310 nan 0.000 0.462 304 L N 0.742 122.021 121.223 0.093 0.000 2.509 304 L HA 0.161 4.501 4.340 0.001 0.000 0.222 304 L C 0.338 177.249 176.870 0.069 0.000 1.123 304 L CA 0.172 55.061 54.840 0.082 0.000 0.856 304 L CB -0.442 41.676 42.059 0.098 0.000 0.985 304 L HN 0.248 nan 8.230 nan 0.000 0.456 305 Q N 0.050 119.891 119.800 0.068 0.000 2.452 305 Q HA -0.208 4.133 4.340 0.001 0.000 0.318 305 Q C 0.990 177.032 176.000 0.070 0.000 1.386 305 Q CA 0.408 56.248 55.803 0.061 0.000 0.872 305 Q CB -1.298 27.466 28.738 0.044 0.000 1.151 305 Q HN 0.506 nan 8.270 nan 0.000 0.417 306 S N -1.823 113.925 115.700 0.080 0.000 2.478 306 S HA 0.164 4.635 4.470 0.001 0.000 0.222 306 S C 0.696 175.343 174.600 0.078 0.000 1.008 306 S CA 0.221 58.471 58.200 0.084 0.000 0.928 306 S CB 0.841 64.091 63.200 0.083 0.000 0.781 306 S HN 0.269 nan 8.310 nan 0.000 0.518 307 V N 2.058 122.011 119.914 0.066 0.000 2.789 307 V HA 0.309 4.430 4.120 0.001 0.000 0.311 307 V C -0.265 175.850 176.094 0.035 0.000 1.073 307 V CA -0.713 61.613 62.300 0.044 0.000 0.921 307 V CB 2.296 34.133 31.823 0.024 0.000 1.009 307 V HN 0.133 nan 8.190 nan 0.000 0.426 308 D N 2.573 122.979 120.400 0.010 0.000 2.323 308 D HA 0.210 4.850 4.640 0.001 0.000 0.218 308 D C 0.147 176.416 176.300 -0.053 0.000 0.973 308 D CA 1.134 55.132 54.000 -0.004 0.000 0.890 308 D CB 1.155 41.951 40.800 -0.007 0.000 1.011 308 D HN 0.371 nan 8.370 nan 0.000 0.499 309 I N 2.177 122.676 120.570 -0.118 0.000 2.464 309 I HA 0.213 4.383 4.170 0.001 0.000 0.277 309 I C -2.679 173.336 176.117 -0.170 0.000 1.040 309 I CA -1.870 59.318 61.300 -0.188 0.000 1.153 309 I CB 2.242 40.011 38.000 -0.385 0.000 1.274 309 I HN -0.360 nan 8.210 nan 0.000 0.469 310 P HA 0.281 nan 4.420 nan 0.000 0.284 310 P C -0.609 176.543 177.300 -0.246 0.000 1.343 310 P CA -0.255 62.768 63.100 -0.129 0.000 0.826 310 P CB 0.449 32.101 31.700 -0.080 0.000 0.956 311 L N 2.711 123.780 121.223 -0.257 0.000 2.360 311 L HA 0.472 4.812 4.340 0.001 0.000 0.276 311 L C 0.756 177.497 176.870 -0.214 0.000 1.121 311 L CA -0.193 54.449 54.840 -0.330 0.000 0.845 311 L CB 0.471 42.386 42.059 -0.239 0.000 1.143 311 L HN 0.310 nan 8.230 nan 0.000 0.452 312 A N 2.555 125.131 122.820 -0.407 0.000 2.586 312 A HA 0.264 4.585 4.320 0.001 0.000 0.320 312 A C -0.591 176.817 177.584 -0.293 0.000 1.281 312 A CA -0.636 51.137 52.037 -0.441 0.000 0.775 312 A CB 0.341 18.745 19.000 -0.992 0.000 1.122 312 A HN 0.657 nan 8.150 nan 0.000 0.470 313 D N 4.542 124.765 120.400 -0.294 0.000 2.412 313 D HA 0.088 4.728 4.640 0.001 0.000 0.257 313 D C -0.840 175.332 176.300 -0.213 0.000 1.217 313 D CA -1.520 52.111 54.000 -0.615 0.000 0.897 313 D CB 1.102 41.072 40.800 -1.382 0.000 1.132 313 D HN 0.284 nan 8.370 nan 0.000 0.493 314 P HA -0.212 nan 4.420 nan 0.000 0.218 314 P C 0.742 178.031 177.300 -0.018 0.000 1.146 314 P CA 1.411 64.499 63.100 -0.020 0.000 0.813 314 P CB 0.063 31.729 31.700 -0.057 0.000 0.778 315 H N -0.408 118.696 119.070 0.056 0.000 2.387 315 H HA -0.067 4.489 4.556 0.001 0.000 0.299 315 H C 1.440 176.956 175.328 0.313 0.000 1.090 315 H CA 1.549 57.698 56.048 0.167 0.000 1.332 315 H CB -0.654 29.191 29.762 0.139 0.000 1.386 315 H HN 0.337 nan 8.280 nan 0.000 0.516 316 F N -3.935 116.184 119.950 0.282 0.000 2.805 316 F HA 0.306 4.834 4.527 0.001 0.000 0.317 316 F C -0.011 175.774 175.800 -0.026 0.000 1.146 316 F CA -0.709 57.329 58.000 0.063 0.000 1.265 316 F CB 0.086 39.067 39.000 -0.031 0.000 0.992 316 F HN -0.026 nan 8.300 nan 0.000 0.511 317 W N 1.852 123.273 121.300 0.202 0.000 2.413 317 W HA 0.232 4.893 4.660 0.001 0.000 0.288 317 W C 0.247 176.850 176.519 0.139 0.000 0.958 317 W CA 0.958 58.398 57.345 0.157 0.000 1.333 317 W CB 0.629 30.126 29.460 0.062 0.000 1.002 317 W HN 0.324 nan 8.180 nan 0.000 0.562 318 T N -2.783 111.965 114.554 0.323 0.000 0.541 318 T HA -0.286 4.065 4.350 0.001 0.000 0.774 318 T C 0.422 175.241 174.700 0.198 0.000 0.992 318 T CA 0.440 62.677 62.100 0.229 0.000 4.077 318 T CB -0.854 68.147 68.868 0.222 0.000 2.303 318 T HN 0.081 nan 8.240 nan 0.000 0.398 319 M N 0.918 120.598 119.600 0.133 0.000 2.229 319 M HA -0.060 4.420 4.480 0.001 0.000 0.264 319 M C 2.648 179.013 176.300 0.108 0.000 1.063 319 M CA 2.186 57.544 55.300 0.096 0.000 1.114 319 M CB -0.456 32.177 32.600 0.055 0.000 1.387 319 M HN 0.746 nan 8.290 nan 0.000 0.420 320 Q N -0.058 119.825 119.800 0.138 0.000 2.187 320 Q HA -0.011 4.329 4.340 0.001 0.000 0.199 320 Q C 2.267 178.374 176.000 0.179 0.000 0.957 320 Q CA 1.282 57.165 55.803 0.134 0.000 0.857 320 Q CB -0.259 28.568 28.738 0.149 0.000 0.929 320 Q HN 0.649 nan 8.270 nan 0.000 0.453 321 G N -0.033 108.926 108.800 0.266 0.000 2.418 321 G HA2 -0.303 3.658 3.960 0.001 0.000 0.217 321 G HA3 -0.303 3.658 3.960 0.001 0.000 0.217 321 G C 1.494 176.551 174.900 0.262 0.000 1.158 321 G CA 1.044 46.390 45.100 0.411 0.000 0.771 321 G HN 0.338 nan 8.290 nan 0.000 0.545 322 S N -0.455 115.344 115.700 0.166 0.000 2.368 322 S HA -0.088 4.383 4.470 0.001 0.000 0.224 322 S C 2.507 177.065 174.600 -0.071 0.000 1.029 322 S CA 1.400 59.627 58.200 0.045 0.000 0.988 322 S CB -0.259 63.047 63.200 0.176 0.000 0.838 322 S HN 0.120 nan 8.310 nan 0.000 0.462 323 V N 1.980 121.829 119.914 -0.107 0.000 2.515 323 V HA -0.059 4.061 4.120 0.001 0.000 0.250 323 V C 2.656 178.630 176.094 -0.200 0.000 1.058 323 V CA 1.564 63.699 62.300 -0.274 0.000 1.064 323 V CB -0.685 31.037 31.823 -0.169 0.000 0.675 323 V HN 0.398 nan 8.190 nan 0.000 0.461 324 R N -0.284 120.203 120.500 -0.021 0.000 2.092 324 R HA -0.085 4.256 4.340 0.001 0.000 0.231 324 R C 2.188 178.551 176.300 0.105 0.000 1.119 324 R CA 1.251 57.395 56.100 0.074 0.000 0.970 324 R CB -0.227 30.218 30.300 0.242 0.000 0.864 324 R HN 0.439 nan 8.270 nan 0.000 0.440 325 V N 0.463 120.401 119.914 0.040 0.000 2.667 325 V HA -0.140 3.981 4.120 0.001 0.000 0.252 325 V C 2.264 178.295 176.094 -0.105 0.000 1.065 325 V CA 1.653 63.908 62.300 -0.076 0.000 1.083 325 V CB -0.270 31.246 31.823 -0.511 0.000 0.692 325 V HN 0.359 nan 8.190 nan 0.000 0.468 326 A N -0.796 121.802 122.820 -0.371 0.000 1.970 326 A HA -0.173 4.147 4.320 0.001 0.000 0.216 326 A C 2.162 179.556 177.584 -0.317 0.000 1.170 326 A CA 1.201 52.836 52.037 -0.670 0.000 0.645 326 A CB -0.270 17.799 19.000 -1.551 0.000 0.816 326 A HN 0.576 nan 8.150 nan 0.000 0.447 327 Q N -1.251 118.408 119.800 -0.236 0.000 2.172 327 Q HA -0.010 4.330 4.340 0.001 0.000 0.200 327 Q C 2.114 178.014 176.000 -0.167 0.000 0.964 327 Q CA 1.255 56.973 55.803 -0.142 0.000 0.855 327 Q CB -0.192 28.474 28.738 -0.121 0.000 0.918 327 Q HN 0.768 nan 8.270 nan 0.000 0.444 328 M N -0.150 119.330 119.600 -0.201 0.000 2.132 328 M HA -0.195 4.285 4.480 0.001 0.000 0.263 328 M C 1.833 177.913 176.300 -0.367 0.000 1.065 328 M CA 1.349 56.399 55.300 -0.418 0.000 1.122 328 M CB -0.055 32.420 32.600 -0.209 0.000 1.365 328 M HN 0.341 nan 8.290 nan 0.000 0.411 329 C N -0.290 118.950 119.300 -0.099 0.000 2.425 329 C HA -0.154 4.307 4.460 0.001 0.000 0.277 329 C C 2.645 177.661 174.990 0.043 0.000 1.280 329 C CA 1.365 60.398 59.018 0.024 0.000 1.744 329 C CB -1.680 26.120 27.740 0.099 0.000 1.989 329 C HN 0.687 nan 8.230 nan 0.000 0.491 330 H N 1.398 120.418 119.070 -0.084 0.000 2.353 330 H HA -0.101 4.456 4.556 0.001 0.000 0.300 330 H C 1.923 177.223 175.328 -0.047 0.000 1.090 330 H CA 2.050 58.062 56.048 -0.061 0.000 1.327 330 H CB -0.255 29.451 29.762 -0.093 0.000 1.383 330 H HN 0.529 nan 8.280 nan 0.000 0.508 331 E N -1.128 118.901 120.200 -0.286 0.000 2.285 331 E HA -0.040 4.311 4.350 0.001 0.000 0.194 331 E C 0.676 177.298 176.600 0.036 0.000 0.997 331 E CA 0.408 56.639 56.400 -0.282 0.000 0.845 331 E CB 0.170 29.684 29.700 -0.310 0.000 0.782 331 E HN 0.429 nan 8.360 nan 0.000 0.491 332 F N -0.661 119.261 119.950 -0.046 0.000 2.695 332 F HA 0.344 4.872 4.527 0.001 0.000 0.303 332 F C 1.491 177.283 175.800 -0.013 0.000 1.091 332 F CA 0.195 58.185 58.000 -0.017 0.000 1.300 332 F CB 0.564 39.575 39.000 0.019 0.000 1.071 332 F HN 0.024 nan 8.300 nan 0.000 0.578 333 G N 0.757 109.643 108.800 0.143 0.000 2.132 333 G HA2 -0.254 3.707 3.960 0.001 0.000 0.234 333 G HA3 -0.254 3.707 3.960 0.001 0.000 0.234 333 G C 0.340 175.297 174.900 0.095 0.000 0.989 333 G CA 0.176 45.330 45.100 0.091 0.000 0.676 333 G HN 0.275 nan 8.290 nan 0.000 0.522 334 L N -0.484 120.808 121.223 0.116 0.000 2.657 334 L HA 0.768 5.108 4.340 0.001 0.000 0.240 334 L C 0.632 177.546 176.870 0.075 0.000 1.151 334 L CA -0.440 54.456 54.840 0.092 0.000 0.831 334 L CB 1.196 43.322 42.059 0.113 0.000 1.539 334 L HN 0.135 nan 8.230 nan 0.000 0.511 335 T N -0.942 113.641 114.554 0.049 0.000 2.937 335 T HA 0.212 4.563 4.350 0.001 0.000 0.297 335 T C -1.203 173.534 174.700 0.061 0.000 0.991 335 T CA -0.393 61.736 62.100 0.047 0.000 0.990 335 T CB 1.175 70.031 68.868 -0.021 0.000 0.991 335 T HN 0.427 nan 8.240 nan 0.000 0.440 336 W N 2.877 124.116 121.300 -0.101 0.000 2.303 336 W HA 0.660 5.321 4.660 0.001 0.000 0.334 336 W C 0.363 176.799 176.519 -0.139 0.000 1.197 336 W CA 0.522 57.787 57.345 -0.133 0.000 1.262 336 W CB 0.827 30.209 29.460 -0.129 0.000 1.153 336 W HN 0.913 nan 8.180 nan 0.000 0.596 337 G N 1.317 109.528 108.800 -0.983 0.000 2.606 337 G HA2 0.500 4.460 3.960 0.001 0.000 0.300 337 G HA3 0.500 4.460 3.960 0.001 0.000 0.300 337 G C -1.812 172.150 174.900 -1.562 0.000 1.360 337 G CA -0.685 43.792 45.100 -1.037 0.000 0.783 337 G HN 0.563 nan 8.290 nan 0.000 0.484 338 S N -1.358 113.777 115.700 -0.941 0.000 2.536 338 S HA 0.678 5.149 4.470 0.001 0.000 0.271 338 S C -0.794 173.582 174.600 -0.375 0.000 1.134 338 S CA -0.630 57.144 58.200 -0.711 0.000 0.897 338 S CB 0.914 63.687 63.200 -0.712 0.000 1.094 338 S HN 1.078 nan 8.310 nan 0.000 0.473 339 H N 0.526 119.381 119.070 -0.360 0.000 2.615 339 H HA 0.911 5.468 4.556 0.001 0.000 0.346 339 H C 0.020 175.267 175.328 -0.135 0.000 1.200 339 H CA -0.596 55.333 56.048 -0.199 0.000 1.264 339 H CB 1.565 31.272 29.762 -0.091 0.000 1.699 339 H HN 0.651 nan 8.280 nan 0.000 0.567 340 S N 0.451 116.207 115.700 0.093 0.000 2.705 340 S HA 0.648 5.118 4.470 0.001 0.000 0.280 340 S C -1.528 173.325 174.600 0.421 0.000 1.174 340 S CA -1.087 57.192 58.200 0.131 0.000 0.823 340 S CB 1.284 64.554 63.200 0.118 0.000 1.162 340 S HN 0.619 nan 8.310 nan 0.000 0.487 341 L N 0.631 121.963 121.223 0.182 0.000 2.376 341 L HA 0.539 4.880 4.340 0.001 0.000 0.258 341 L C -0.649 175.908 176.870 -0.522 0.000 1.013 341 L CA -1.110 53.595 54.840 -0.224 0.000 0.822 341 L CB 1.706 43.685 42.059 -0.134 0.000 1.388 341 L HN 0.735 nan 8.230 nan 0.000 0.413 342 N N 0.667 118.734 118.700 -1.055 0.000 2.219 342 N HA 0.144 4.884 4.740 0.001 0.000 0.263 342 N C -0.913 174.162 175.510 -0.725 0.000 1.269 342 N CA 0.856 53.321 53.050 -0.974 0.000 0.831 342 N CB 0.043 37.796 38.487 -1.224 0.000 1.059 342 N HN 0.606 nan 8.380 nan 0.000 0.475 343 H N -0.758 118.009 119.070 -0.503 0.000 2.960 343 H HA 0.540 5.097 4.556 0.001 0.000 0.323 343 H C -1.368 173.927 175.328 -0.055 0.000 1.326 343 H CA -1.005 54.891 56.048 -0.254 0.000 1.124 343 H CB 0.458 30.209 29.762 -0.018 0.000 1.853 343 H HN 0.297 nan 8.280 nan 0.000 0.536 344 F N -0.061 120.159 119.950 0.451 0.000 2.452 344 F HA 0.177 4.705 4.527 0.001 0.000 0.353 344 F C 1.275 177.100 175.800 0.043 0.000 1.089 344 F CA -0.665 57.581 58.000 0.411 0.000 1.080 344 F CB 0.840 40.042 39.000 0.337 0.000 1.399 344 F HN 0.808 nan 8.300 nan 0.000 0.492 345 D N -0.241 120.166 120.400 0.013 0.000 2.371 345 D HA -0.101 4.540 4.640 0.001 0.000 0.221 345 D C 1.570 177.672 176.300 -0.331 0.000 0.986 345 D CA 1.118 54.846 54.000 -0.455 0.000 0.899 345 D CB -0.418 40.220 40.800 -0.270 0.000 0.902 345 D HN 0.454 nan 8.370 nan 0.000 0.530 346 I N 0.181 120.693 120.570 -0.096 0.000 2.480 346 I HA -0.162 4.009 4.170 0.001 0.000 0.251 346 I C 2.089 178.102 176.117 -0.172 0.000 1.124 346 I CA 0.508 61.730 61.300 -0.130 0.000 1.444 346 I CB -0.045 37.955 38.000 0.000 0.000 1.098 346 I HN -0.074 nan 8.210 nan 0.000 0.428 347 S N 0.917 116.590 115.700 -0.046 0.000 2.383 347 S HA -0.130 4.340 4.470 0.001 0.000 0.227 347 S C 1.905 176.159 174.600 -0.578 0.000 1.026 347 S CA 0.938 59.143 58.200 0.008 0.000 0.981 347 S CB -0.276 63.059 63.200 0.226 0.000 0.818 347 S HN 0.255 nan 8.310 nan 0.000 0.472 348 L N 2.168 122.924 121.223 -0.778 0.000 2.013 348 L HA -0.117 4.224 4.340 0.001 0.000 0.212 348 L C 2.383 178.491 176.870 -1.270 0.000 1.073 348 L CA 2.046 56.068 54.840 -1.362 0.000 0.753 348 L CB -1.052 40.484 42.059 -0.872 0.000 0.890 348 L HN 0.266 nan 8.230 nan 0.000 0.432 349 A N -1.003 121.204 122.820 -1.021 0.000 1.940 349 A HA -0.270 4.051 4.320 0.001 0.000 0.219 349 A C 2.266 179.636 177.584 -0.356 0.000 1.176 349 A CA 2.243 53.760 52.037 -0.867 0.000 0.631 349 A CB -0.558 17.931 19.000 -0.853 0.000 0.814 349 A HN 0.547 nan 8.150 nan 0.000 0.446 350 M N -0.921 118.440 119.600 -0.398 0.000 2.084 350 M HA -0.152 4.328 4.480 0.001 0.000 0.259 350 M C 2.113 178.344 176.300 -0.115 0.000 1.072 350 M CA 2.359 57.540 55.300 -0.197 0.000 1.107 350 M CB -0.738 31.785 32.600 -0.128 0.000 1.299 350 M HN 0.657 nan 8.290 nan 0.000 0.413 351 F N -1.181 118.711 119.950 -0.097 0.000 2.365 351 F HA 0.010 4.537 4.527 0.001 0.000 0.300 351 F C 2.193 178.015 175.800 0.037 0.000 1.090 351 F CA 0.943 58.919 58.000 -0.040 0.000 1.408 351 F CB -2.088 36.863 39.000 -0.081 0.000 1.060 351 F HN 0.007 nan 8.300 nan 0.000 0.534 352 T N -0.500 113.968 114.554 -0.144 0.000 2.746 352 T HA -0.203 4.148 4.350 0.001 0.000 0.267 352 T C 1.511 176.196 174.700 -0.025 0.000 1.039 352 T CA 2.276 64.364 62.100 -0.020 0.000 1.142 352 T CB -0.518 68.339 68.868 -0.018 0.000 0.866 352 T HN 0.438 nan 8.240 nan 0.000 0.444 353 H N -0.165 118.903 119.070 -0.004 0.000 2.395 353 H HA 0.098 4.654 4.556 0.001 0.000 0.299 353 H C 2.257 177.585 175.328 0.000 0.000 1.070 353 H CA 0.924 56.974 56.048 0.002 0.000 1.356 353 H CB -0.351 29.400 29.762 -0.018 0.000 1.401 353 H HN 0.077 nan 8.280 nan 0.000 0.524 354 V N 0.632 120.629 119.914 0.138 0.000 2.214 354 V HA -0.310 3.810 4.120 0.001 0.000 0.245 354 V C 2.588 178.696 176.094 0.024 0.000 1.047 354 V CA 1.930 64.284 62.300 0.090 0.000 0.998 354 V CB -1.098 30.834 31.823 0.182 0.000 0.633 354 V HN 0.602 nan 8.190 nan 0.000 0.446 355 A N -0.052 122.890 122.820 0.204 0.000 1.958 355 A HA -0.240 4.081 4.320 0.001 0.000 0.221 355 A C 2.303 179.880 177.584 -0.012 0.000 1.178 355 A CA 2.342 54.496 52.037 0.195 0.000 0.642 355 A CB -0.907 18.328 19.000 0.392 0.000 0.816 355 A HN 0.722 nan 8.150 nan 0.000 0.453 356 A N -1.207 121.600 122.820 -0.021 0.000 2.178 356 A HA 0.271 4.591 4.320 0.001 0.000 0.218 356 A C 1.947 179.470 177.584 -0.101 0.000 1.157 356 A CA 1.773 53.765 52.037 -0.075 0.000 0.689 356 A CB -0.493 18.429 19.000 -0.129 0.000 0.787 356 A HN 1.222 nan 8.150 nan 0.000 0.465 357 A N -1.479 121.260 122.820 -0.135 0.000 2.469 357 A HA 0.668 4.989 4.320 0.001 0.000 0.245 357 A C 1.028 178.447 177.584 -0.276 0.000 1.221 357 A CA 0.570 52.510 52.037 -0.162 0.000 0.946 357 A CB -0.294 18.636 19.000 -0.117 0.000 1.049 357 A HN 0.889 nan 8.150 nan 0.000 0.529 358 A N 2.454 125.036 122.820 -0.395 0.000 2.451 358 A HA 0.565 4.885 4.320 0.001 0.000 0.266 358 A C -2.234 175.134 177.584 -0.360 0.000 1.119 358 A CA -1.113 50.570 52.037 -0.590 0.000 0.786 358 A CB -0.148 18.285 19.000 -0.945 0.000 1.061 358 A HN 0.309 nan 8.150 nan 0.000 0.503 359 P HA 0.471 nan 4.420 nan 0.000 0.278 359 P C 0.802 177.805 177.300 -0.495 0.000 1.266 359 P CA 1.076 63.944 63.100 -0.387 0.000 0.807 359 P CB 0.912 32.384 31.700 -0.381 0.000 1.094 360 G N 0.577 108.977 108.800 -0.666 0.000 2.552 360 G HA2 -0.255 3.705 3.960 0.001 0.000 0.265 360 G HA3 -0.255 3.705 3.960 0.001 0.000 0.265 360 G C -0.599 174.204 174.900 -0.162 0.000 1.234 360 G CA 0.064 44.858 45.100 -0.511 0.000 0.944 360 G HN 0.849 nan 8.290 nan 0.000 0.568 361 K N 1.099 121.481 120.400 -0.030 0.000 2.264 361 K HA 0.552 4.872 4.320 0.001 0.000 0.277 361 K C 1.007 177.632 176.600 0.041 0.000 1.067 361 K CA -0.561 55.731 56.287 0.008 0.000 0.900 361 K CB -0.074 32.444 32.500 0.030 0.000 1.124 361 K HN 0.652 nan 8.250 nan 0.000 0.469 362 I N -0.246 120.358 120.570 0.057 0.000 3.062 362 I HA 0.434 4.605 4.170 0.001 0.000 0.318 362 I C 0.307 176.468 176.117 0.073 0.000 1.026 362 I CA -0.874 60.506 61.300 0.133 0.000 1.096 362 I CB 1.651 39.814 38.000 0.272 0.000 1.348 362 I HN 0.357 nan 8.210 nan 0.000 0.543 363 T N 1.224 115.802 114.554 0.040 0.000 2.912 363 T HA 0.624 4.975 4.350 0.001 0.000 0.280 363 T C -0.051 174.634 174.700 -0.024 0.000 0.989 363 T CA -0.407 61.679 62.100 -0.023 0.000 0.995 363 T CB 1.115 69.913 68.868 -0.116 0.000 1.077 363 T HN 0.846 nan 8.240 nan 0.000 0.531 364 A N 2.942 125.745 122.820 -0.027 0.000 2.524 364 A HA 0.449 4.769 4.320 0.001 0.000 0.250 364 A C 0.605 178.132 177.584 -0.096 0.000 1.078 364 A CA -0.381 51.632 52.037 -0.042 0.000 0.761 364 A CB -0.882 18.083 19.000 -0.059 0.000 1.012 364 A HN 0.870 nan 8.150 nan 0.000 0.500 365 I N -0.124 120.395 120.570 -0.085 0.000 2.764 365 I HA 0.476 4.646 4.170 0.001 0.000 0.294 365 I C -0.514 175.491 176.117 -0.187 0.000 1.045 365 I CA -0.833 60.366 61.300 -0.168 0.000 1.340 365 I CB 0.673 38.588 38.000 -0.143 0.000 1.436 365 I HN 0.458 nan 8.210 nan 0.000 0.567 366 D N 2.252 122.493 120.400 -0.267 0.000 2.358 366 D HA 0.539 5.180 4.640 0.001 0.000 0.244 366 D C -0.204 175.998 176.300 -0.163 0.000 1.163 366 D CA 0.158 53.987 54.000 -0.284 0.000 0.945 366 D CB 1.316 41.929 40.800 -0.311 0.000 1.152 366 D HN 0.788 nan 8.370 nan 0.000 0.451 367 T N -0.611 113.956 114.554 0.023 0.000 3.401 367 T HA 0.135 4.485 4.350 0.001 0.000 0.405 367 T C -0.801 174.160 174.700 0.435 0.000 1.688 367 T CA -0.539 61.742 62.100 0.302 0.000 1.143 367 T CB 0.094 69.205 68.868 0.406 0.000 1.526 367 T HN 0.410 nan 8.240 nan 0.000 0.472 368 H N 2.491 121.864 119.070 0.505 0.000 2.553 368 H HA 0.273 4.829 4.556 0.001 0.000 0.265 368 H C 1.640 177.220 175.328 0.419 0.000 0.964 368 H CA 0.416 56.736 56.048 0.453 0.000 1.156 368 H CB 0.187 30.038 29.762 0.149 0.000 1.411 368 H HN 0.610 nan 8.280 nan 0.000 0.558 369 W N 2.197 123.609 121.300 0.188 0.000 2.275 369 W HA -0.352 4.309 4.660 0.001 0.000 0.321 369 W C 1.582 178.188 176.519 0.145 0.000 1.269 369 W CA 1.946 59.364 57.345 0.121 0.000 1.274 369 W CB -0.186 29.415 29.460 0.234 0.000 1.141 369 W HN 0.375 nan 8.180 nan 0.000 0.493 370 I N -2.343 118.228 120.570 0.001 0.000 2.623 370 I HA -0.268 3.903 4.170 0.001 0.000 0.261 370 I C 1.737 177.927 176.117 0.121 0.000 1.204 370 I CA 1.754 62.890 61.300 -0.272 0.000 1.444 370 I CB -1.221 36.345 38.000 -0.724 0.000 1.094 370 I HN -0.018 nan 8.210 nan 0.000 0.451 371 W N 0.896 122.346 121.300 0.251 0.000 2.539 371 W HA 0.054 4.714 4.660 0.001 0.000 0.281 371 W C 2.241 178.774 176.519 0.023 0.000 1.220 371 W CA 0.143 57.588 57.345 0.166 0.000 1.332 371 W CB -0.245 29.258 29.460 0.071 0.000 1.095 371 W HN 0.073 nan 8.180 nan 0.000 0.571 372 Q N 0.204 120.065 119.800 0.102 0.000 2.319 372 Q HA 0.061 4.401 4.340 0.001 0.000 0.202 372 Q C 0.660 176.450 176.000 -0.350 0.000 0.896 372 Q CA 0.378 56.193 55.803 0.021 0.000 0.942 372 Q CB -0.065 28.761 28.738 0.146 0.000 1.083 372 Q HN -0.011 nan 8.270 nan 0.000 0.510 373 E N -0.274 119.549 120.200 -0.629 0.000 2.383 373 E HA 0.288 4.638 4.350 0.001 0.000 0.264 373 E C 0.823 177.320 176.600 -0.171 0.000 1.050 373 E CA 0.816 56.747 56.400 -0.782 0.000 0.896 373 E CB 0.650 29.896 29.700 -0.757 0.000 0.982 373 E HN 0.281 nan 8.360 nan 0.000 0.424 374 G N 4.702 113.466 108.800 -0.061 0.000 3.586 374 G HA2 -0.331 3.629 3.960 0.001 0.000 0.212 374 G HA3 -0.331 3.629 3.960 0.001 0.000 0.212 374 G C 0.581 175.414 174.900 -0.112 0.000 1.411 374 G CA 0.417 45.482 45.100 -0.058 0.000 0.898 374 G HN 0.621 nan 8.290 nan 0.000 0.575 375 N N 1.613 120.212 118.700 -0.169 0.000 2.214 375 N HA 0.295 5.035 4.740 0.001 0.000 0.214 375 N C 0.385 175.928 175.510 0.055 0.000 1.132 375 N CA 0.449 53.458 53.050 -0.069 0.000 0.856 375 N CB 0.404 38.819 38.487 -0.120 0.000 1.020 375 N HN 0.726 nan 8.380 nan 0.000 0.509 376 Q N 0.422 120.287 119.800 0.108 0.000 2.416 376 Q HA 0.587 4.927 4.340 0.001 0.000 0.281 376 Q C -1.070 175.127 176.000 0.329 0.000 1.067 376 Q CA -0.946 55.000 55.803 0.240 0.000 0.809 376 Q CB 3.127 32.103 28.738 0.397 0.000 1.418 376 Q HN 0.435 nan 8.270 nan 0.000 0.411 377 R N 0.126 120.793 120.500 0.279 0.000 3.466 377 R HA 0.205 4.545 4.340 0.001 0.000 0.262 377 R C -1.484 174.843 176.300 0.044 0.000 0.997 377 R CA -0.647 55.637 56.100 0.306 0.000 0.978 377 R CB -0.116 30.377 30.300 0.321 0.000 1.256 377 R HN 0.630 nan 8.270 nan 0.000 0.536 378 L N 0.538 121.765 121.223 0.008 0.000 2.858 378 L HA 0.259 4.600 4.340 0.001 0.000 0.251 378 L C 0.216 177.086 176.870 0.000 0.000 1.149 378 L CA 0.289 55.081 54.840 -0.079 0.000 0.955 378 L CB 1.219 43.178 42.059 -0.167 0.000 1.289 378 L HN 0.895 nan 8.230 nan 0.000 0.542 379 T N -4.600 109.987 114.554 0.055 0.000 2.908 379 T HA 0.355 4.705 4.350 0.001 0.000 0.290 379 T C 0.722 175.481 174.700 0.097 0.000 1.034 379 T CA -0.802 61.336 62.100 0.064 0.000 1.010 379 T CB 2.448 71.353 68.868 0.062 0.000 1.068 379 T HN -0.070 nan 8.240 nan 0.000 0.481 380 K N 0.851 121.304 120.400 0.088 0.000 2.009 380 K HA -0.070 4.250 4.320 0.001 0.000 0.210 380 K C 0.589 177.263 176.600 0.123 0.000 1.049 380 K CA 1.458 57.800 56.287 0.092 0.000 0.929 380 K CB -0.012 32.532 32.500 0.074 0.000 0.714 380 K HN 0.684 nan 8.250 nan 0.000 0.440 381 E N 1.627 121.913 120.200 0.144 0.000 2.969 381 E HA 0.165 4.516 4.350 0.001 0.000 0.213 381 E C -2.513 174.244 176.600 0.262 0.000 1.107 381 E CA -1.799 54.705 56.400 0.173 0.000 1.007 381 E CB 1.010 30.787 29.700 0.128 0.000 1.326 381 E HN 0.183 nan 8.360 nan 0.000 0.432 382 P HA -0.083 nan 4.420 nan 0.000 0.264 382 P C -0.323 177.252 177.300 0.459 0.000 1.183 382 P CA 0.057 63.365 63.100 0.345 0.000 0.763 382 P CB 0.442 32.405 31.700 0.439 0.000 0.807 383 F N 1.352 121.327 119.950 0.042 0.000 2.607 383 F HA 0.063 4.590 4.527 0.001 0.000 0.374 383 F C 1.528 177.415 175.800 0.145 0.000 1.104 383 F CA 0.223 58.245 58.000 0.036 0.000 1.296 383 F CB -0.514 38.447 39.000 -0.065 0.000 1.085 383 F HN 0.332 nan 8.300 nan 0.000 0.584 384 E N 2.859 123.236 120.200 0.295 0.000 2.214 384 E HA 0.455 4.806 4.350 0.001 0.000 0.274 384 E C -0.636 176.112 176.600 0.247 0.000 0.977 384 E CA -0.673 55.908 56.400 0.302 0.000 0.827 384 E CB 1.823 31.640 29.700 0.195 0.000 1.130 384 E HN 0.386 nan 8.360 nan 0.000 0.394 385 I N 3.122 123.874 120.570 0.304 0.000 2.313 385 I HA 0.182 4.353 4.170 0.001 0.000 0.286 385 I C -0.490 175.654 176.117 0.046 0.000 1.091 385 I CA -0.277 61.133 61.300 0.183 0.000 1.216 385 I CB 0.175 38.293 38.000 0.197 0.000 1.434 385 I HN 0.192 nan 8.210 nan 0.000 0.487 386 K N 4.029 124.411 120.400 -0.029 0.000 2.274 386 K HA 0.543 4.864 4.320 0.001 0.000 0.262 386 K C 0.752 177.261 176.600 -0.152 0.000 0.961 386 K CA -0.545 55.679 56.287 -0.105 0.000 0.833 386 K CB 1.852 34.313 32.500 -0.065 0.000 1.102 386 K HN 0.709 nan 8.250 nan 0.000 0.436 387 G N 1.895 110.554 108.800 -0.235 0.000 2.198 387 G HA2 -0.250 3.711 3.960 0.001 0.000 0.260 387 G HA3 -0.250 3.711 3.960 0.001 0.000 0.260 387 G C 0.752 175.507 174.900 -0.241 0.000 1.025 387 G CA 0.482 45.444 45.100 -0.230 0.000 0.769 387 G HN 1.140 nan 8.290 nan 0.000 0.507 388 G N -2.115 106.469 108.800 -0.360 0.000 2.155 388 G HA2 -0.163 3.797 3.960 0.001 0.000 0.257 388 G HA3 -0.163 3.797 3.960 0.001 0.000 0.257 388 G C 0.224 175.078 174.900 -0.077 0.000 0.983 388 G CA 0.903 45.840 45.100 -0.272 0.000 0.676 388 G HN 1.503 nan 8.290 nan 0.000 0.528 389 L N -0.495 120.681 121.223 -0.078 0.000 2.381 389 L HA 0.747 5.087 4.340 0.001 0.000 0.268 389 L C -0.091 176.785 176.870 0.009 0.000 0.997 389 L CA -1.320 53.510 54.840 -0.017 0.000 0.818 389 L CB 2.524 44.563 42.059 -0.033 0.000 1.310 389 L HN -0.076 nan 8.230 nan 0.000 0.416 390 V N 2.053 121.990 119.914 0.038 0.000 2.495 390 V HA 0.363 4.483 4.120 0.001 0.000 0.298 390 V C -0.335 175.752 176.094 -0.011 0.000 1.031 390 V CA -0.841 61.489 62.300 0.048 0.000 0.871 390 V CB 1.781 33.677 31.823 0.122 0.000 0.988 390 V HN 0.619 nan 8.190 nan 0.000 0.432 391 Q N 2.617 122.376 119.800 -0.068 0.000 2.314 391 Q HA 0.340 4.680 4.340 0.001 0.000 0.258 391 Q C -0.398 175.500 176.000 -0.169 0.000 0.954 391 Q CA -0.294 55.442 55.803 -0.112 0.000 0.890 391 Q CB 1.759 30.420 28.738 -0.128 0.000 1.210 391 Q HN 0.536 nan 8.270 nan 0.000 0.410 392 V N 5.702 125.523 119.914 -0.155 0.000 2.405 392 V HA 0.131 4.251 4.120 0.001 0.000 0.264 392 V C -1.858 174.112 176.094 -0.207 0.000 1.048 392 V CA -1.251 60.920 62.300 -0.215 0.000 0.966 392 V CB 0.361 32.063 31.823 -0.203 0.000 1.015 392 V HN 0.606 nan 8.190 nan 0.000 0.477 393 P HA 0.111 nan 4.420 nan 0.000 0.270 393 P C 0.658 177.923 177.300 -0.058 0.000 1.227 393 P CA -0.038 62.967 63.100 -0.159 0.000 0.788 393 P CB 0.907 32.523 31.700 -0.139 0.000 0.926 394 E N 0.023 120.198 120.200 -0.042 0.000 2.413 394 E HA -0.003 4.348 4.350 0.001 0.000 0.203 394 E C 0.166 176.769 176.600 0.004 0.000 0.957 394 E CA 0.095 56.486 56.400 -0.016 0.000 0.950 394 E CB 0.237 29.919 29.700 -0.030 0.000 0.957 394 E HN 0.434 nan 8.360 nan 0.000 0.497 395 K N 1.734 122.135 120.400 0.001 0.000 2.380 395 K HA 0.135 4.456 4.320 0.001 0.000 0.267 395 K C -2.688 173.919 176.600 0.012 0.000 0.990 395 K CA -1.473 54.815 56.287 0.002 0.000 0.946 395 K CB -0.569 31.930 32.500 -0.002 0.000 0.937 395 K HN -0.324 nan 8.250 nan 0.000 0.491 396 P HA -0.037 nan 4.420 nan 0.000 0.266 396 P C 0.543 177.806 177.300 -0.061 0.000 1.180 396 P CA 1.665 64.738 63.100 -0.046 0.000 0.765 396 P CB 0.251 31.904 31.700 -0.079 0.000 0.806 397 G N 1.121 109.861 108.800 -0.100 0.000 2.575 397 G HA2 -0.316 3.644 3.960 0.001 0.000 0.267 397 G HA3 -0.316 3.644 3.960 0.001 0.000 0.267 397 G C 0.829 175.585 174.900 -0.239 0.000 1.264 397 G CA 0.111 45.118 45.100 -0.155 0.000 0.935 397 G HN 0.491 nan 8.290 nan 0.000 0.568 398 L N 1.390 122.457 121.223 -0.260 0.000 2.201 398 L HA 0.231 4.572 4.340 0.001 0.000 0.212 398 L C 2.547 179.436 176.870 0.031 0.000 1.105 398 L CA 1.600 56.233 54.840 -0.345 0.000 0.775 398 L CB -0.623 41.311 42.059 -0.208 0.000 0.913 398 L HN 2.184 nan 8.230 nan 0.000 0.440 399 G N 0.332 109.181 108.800 0.082 0.000 2.137 399 G HA2 -0.213 3.748 3.960 0.001 0.000 0.237 399 G HA3 -0.213 3.748 3.960 0.001 0.000 0.237 399 G C 0.064 175.134 174.900 0.285 0.000 1.002 399 G CA 0.133 45.352 45.100 0.198 0.000 0.702 399 G HN 0.315 nan 8.290 nan 0.000 0.515 400 V N -3.034 116.983 119.914 0.172 0.000 2.680 400 V HA 0.881 5.002 4.120 0.001 0.000 0.309 400 V C -0.260 175.880 176.094 0.076 0.000 1.052 400 V CA -1.166 61.223 62.300 0.149 0.000 0.908 400 V CB 2.204 34.037 31.823 0.018 0.000 1.001 400 V HN 0.358 nan 8.190 nan 0.000 0.431 401 E N 3.224 123.472 120.200 0.081 0.000 2.114 401 E HA 0.472 4.823 4.350 0.001 0.000 0.266 401 E C -0.765 175.861 176.600 0.043 0.000 0.896 401 E CA -0.966 55.467 56.400 0.055 0.000 0.750 401 E CB 1.650 31.386 29.700 0.060 0.000 1.121 401 E HN 0.859 nan 8.360 nan 0.000 0.413 402 I N 4.154 124.740 120.570 0.025 0.000 2.598 402 I HA -0.024 4.146 4.170 0.001 0.000 0.284 402 I C -0.291 175.836 176.117 0.015 0.000 1.140 402 I CA 0.469 61.777 61.300 0.014 0.000 1.420 402 I CB 0.604 38.605 38.000 0.002 0.000 1.387 402 I HN 0.455 nan 8.210 nan 0.000 0.553 403 D N 8.350 128.757 120.400 0.012 0.000 2.485 403 D HA 0.073 4.713 4.640 0.001 0.000 0.221 403 D C 0.943 177.242 176.300 -0.002 0.000 1.112 403 D CA -0.377 53.631 54.000 0.013 0.000 0.911 403 D CB 0.842 41.656 40.800 0.024 0.000 1.019 403 D HN 0.537 nan 8.370 nan 0.000 0.516 404 M N 1.984 121.583 119.600 -0.001 0.000 2.267 404 M HA -0.155 4.326 4.480 0.001 0.000 0.263 404 M C 1.428 177.726 176.300 -0.004 0.000 1.063 404 M CA 1.116 56.412 55.300 -0.007 0.000 1.090 404 M CB -0.745 31.852 32.600 -0.004 0.000 1.392 404 M HN 0.407 nan 8.290 nan 0.000 0.422 405 D N 0.114 120.516 120.400 0.003 0.000 2.084 405 D HA -0.184 4.456 4.640 0.001 0.000 0.194 405 D C 1.921 178.222 176.300 0.002 0.000 0.990 405 D CA 1.446 55.450 54.000 0.007 0.000 0.826 405 D CB 0.105 40.912 40.800 0.012 0.000 0.971 405 D HN 0.210 nan 8.370 nan 0.000 0.453 406 Q N 0.098 119.894 119.800 -0.006 0.000 2.084 406 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 406 Q C 2.574 178.539 176.000 -0.057 0.000 0.978 406 Q CA 0.776 56.564 55.803 -0.025 0.000 0.844 406 Q CB -0.681 28.040 28.738 -0.028 0.000 0.898 406 Q HN 0.323 nan 8.270 nan 0.000 0.426 407 V N 1.009 120.890 119.914 -0.055 0.000 2.261 407 V HA -0.264 3.856 4.120 0.001 0.000 0.246 407 V C 2.334 178.420 176.094 -0.013 0.000 1.047 407 V CA 1.655 63.917 62.300 -0.064 0.000 1.015 407 V CB -0.532 31.260 31.823 -0.052 0.000 0.642 407 V HN 0.319 nan 8.190 nan 0.000 0.446 408 M N -0.399 119.208 119.600 0.011 0.000 2.213 408 M HA -0.125 4.355 4.480 0.001 0.000 0.263 408 M C 2.082 178.417 176.300 0.059 0.000 1.062 408 M CA 1.523 56.860 55.300 0.062 0.000 1.105 408 M CB -1.132 31.496 32.600 0.046 0.000 1.385 408 M HN 0.372 nan 8.290 nan 0.000 0.417 409 K N -0.072 120.342 120.400 0.023 0.000 2.097 409 K HA -0.002 4.319 4.320 0.001 0.000 0.205 409 K C 2.016 178.626 176.600 0.016 0.000 1.050 409 K CA 1.400 57.697 56.287 0.017 0.000 0.938 409 K CB -0.236 32.275 32.500 0.018 0.000 0.718 409 K HN 0.291 nan 8.250 nan 0.000 0.442 410 A N 1.111 123.931 122.820 -0.000 0.000 2.015 410 A HA -0.184 4.136 4.320 0.001 0.000 0.219 410 A C 1.931 179.548 177.584 0.055 0.000 1.163 410 A CA 1.506 53.534 52.037 -0.015 0.000 0.646 410 A CB -0.560 18.364 19.000 -0.126 0.000 0.806 410 A HN 0.342 nan 8.150 nan 0.000 0.448 411 H N 0.217 119.268 119.070 -0.031 0.000 2.343 411 H HA 0.040 4.597 4.556 0.001 0.000 0.303 411 H C 1.759 177.116 175.328 0.049 0.000 1.068 411 H CA 1.852 57.900 56.048 -0.000 0.000 1.359 411 H CB -0.176 29.574 29.762 -0.020 0.000 1.402 411 H HN 0.564 nan 8.280 nan 0.000 0.515 412 E N -0.250 119.862 120.200 -0.147 0.000 2.204 412 E HA -0.109 4.241 4.350 0.001 0.000 0.194 412 E C 1.946 178.435 176.600 -0.185 0.000 0.989 412 E CA 0.781 57.043 56.400 -0.229 0.000 0.824 412 E CB -0.012 29.612 29.700 -0.127 0.000 0.756 412 E HN 0.333 nan 8.360 nan 0.000 0.477 413 L N 0.012 121.172 121.223 -0.105 0.000 2.217 413 L HA -0.129 4.212 4.340 0.001 0.000 0.211 413 L C 2.019 178.799 176.870 -0.150 0.000 1.107 413 L CA 1.510 56.275 54.840 -0.126 0.000 0.783 413 L CB -0.474 41.543 42.059 -0.070 0.000 0.919 413 L HN 0.096 nan 8.230 nan 0.000 0.442 414 Y N -0.778 119.396 120.300 -0.211 0.000 2.263 414 Y HA -0.151 4.399 4.550 0.001 0.000 0.292 414 Y C 2.437 178.211 175.900 -0.211 0.000 1.130 414 Y CA 1.423 59.416 58.100 -0.179 0.000 1.179 414 Y CB 0.116 38.533 38.460 -0.072 0.000 0.998 414 Y HN 0.237 nan 8.280 nan 0.000 0.532 415 Q N 0.904 120.554 119.800 -0.250 0.000 2.046 415 Q HA -0.167 4.173 4.340 0.001 0.000 0.200 415 Q C 2.103 177.895 176.000 -0.347 0.000 0.975 415 Q CA 1.537 57.148 55.803 -0.320 0.000 0.836 415 Q CB -0.296 28.248 28.738 -0.324 0.000 0.896 415 Q HN 0.525 nan 8.270 nan 0.000 0.428 416 K N 0.139 120.309 120.400 -0.384 0.000 2.015 416 K HA -0.177 4.143 4.320 0.001 0.000 0.216 416 K C 1.788 178.046 176.600 -0.570 0.000 1.052 416 K CA 1.414 57.401 56.287 -0.499 0.000 0.937 416 K CB -0.281 31.813 32.500 -0.677 0.000 0.719 416 K HN 0.400 nan 8.250 nan 0.000 0.446 417 H N -0.509 118.348 119.070 -0.355 0.000 2.547 417 H HA 0.068 4.624 4.556 0.001 0.000 0.266 417 H C 0.735 175.882 175.328 -0.302 0.000 0.988 417 H CA 0.789 56.634 56.048 -0.338 0.000 1.147 417 H CB -0.099 29.367 29.762 -0.493 0.000 1.365 417 H HN 0.453 nan 8.280 nan 0.000 0.589 418 G N 2.156 110.781 108.800 -0.291 0.000 2.372 418 G HA2 -0.240 3.721 3.960 0.001 0.000 0.290 418 G HA3 -0.240 3.721 3.960 0.001 0.000 0.290 418 G C 0.297 175.037 174.900 -0.266 0.000 0.965 418 G CA 0.756 45.684 45.100 -0.287 0.000 1.263 418 G HN 0.497 nan 8.290 nan 0.000 0.498 419 L N -1.893 119.086 121.223 -0.407 0.000 2.256 419 L HA 1.069 5.410 4.340 0.001 0.000 0.261 419 L C 0.756 177.472 176.870 -0.258 0.000 1.022 419 L CA -0.666 54.012 54.840 -0.270 0.000 0.828 419 L CB 1.606 43.553 42.059 -0.186 0.000 1.374 419 L HN 0.470 nan 8.230 nan 0.000 0.436 420 G N -0.470 108.302 108.800 -0.046 0.000 3.249 420 G HA2 0.479 4.439 3.960 0.001 0.000 0.143 420 G HA3 0.479 4.439 3.960 0.001 0.000 0.143 420 G C -0.251 174.683 174.900 0.058 0.000 1.393 420 G CA 0.233 45.386 45.100 0.089 0.000 1.216 420 G HN 0.954 nan 8.290 nan 0.000 0.728 421 A N 0.397 123.232 122.820 0.026 0.000 2.406 421 A HA 0.608 4.928 4.320 0.001 0.000 0.243 421 A C 0.616 178.180 177.584 -0.033 0.000 1.082 421 A CA 0.049 52.089 52.037 0.005 0.000 0.786 421 A CB 0.171 19.190 19.000 0.032 0.000 1.029 421 A HN 0.630 nan 8.150 nan 0.000 0.495 422 R N 0.869 121.308 120.500 -0.102 0.000 2.308 422 R HA 0.261 4.601 4.340 0.001 0.000 0.305 422 R C -1.473 174.798 176.300 -0.048 0.000 1.053 422 R CA -0.230 55.746 56.100 -0.206 0.000 0.957 422 R CB 0.510 30.443 30.300 -0.612 0.000 1.022 422 R HN 0.722 nan 8.270 nan 0.000 0.461 423 D N 3.326 123.716 120.400 -0.017 0.000 2.473 423 D HA 0.133 4.773 4.640 0.001 0.000 0.253 423 D C -0.786 175.558 176.300 0.074 0.000 1.233 423 D CA -0.457 53.591 54.000 0.081 0.000 0.908 423 D CB 1.629 42.465 40.800 0.061 0.000 1.170 423 D HN 0.530 nan 8.370 nan 0.000 0.558 424 D N 1.951 122.446 120.400 0.158 0.000 2.350 424 D HA 0.122 4.762 4.640 0.001 0.000 0.213 424 D C 1.650 177.998 176.300 0.079 0.000 1.031 424 D CA 0.245 54.324 54.000 0.132 0.000 0.861 424 D CB 0.562 41.503 40.800 0.235 0.000 0.926 424 D HN 0.458 nan 8.370 nan 0.000 0.520 425 A N 0.522 123.448 122.820 0.178 0.000 2.072 425 A HA 0.002 4.322 4.320 0.001 0.000 0.216 425 A C 1.959 179.562 177.584 0.031 0.000 1.156 425 A CA 0.340 52.493 52.037 0.193 0.000 0.701 425 A CB -0.299 19.009 19.000 0.514 0.000 0.816 425 A HN 0.106 nan 8.150 nan 0.000 0.458 426 M N 0.521 120.132 119.600 0.020 0.000 2.115 426 M HA -0.158 4.323 4.480 0.001 0.000 0.258 426 M C 2.024 178.242 176.300 -0.138 0.000 1.071 426 M CA 2.387 57.659 55.300 -0.047 0.000 1.100 426 M CB -1.385 31.211 32.600 -0.006 0.000 1.292 426 M HN 0.361 nan 8.290 nan 0.000 0.415 427 G N -0.000 108.770 108.800 -0.050 0.000 2.443 427 G HA2 -0.176 3.785 3.960 0.001 0.000 0.219 427 G HA3 -0.176 3.785 3.960 0.001 0.000 0.219 427 G C 1.412 176.260 174.900 -0.087 0.000 1.131 427 G CA 0.454 45.571 45.100 0.027 0.000 0.775 427 G HN 0.409 nan 8.290 nan 0.000 0.547 428 M N 0.389 119.844 119.600 -0.241 0.000 2.279 428 M HA -0.021 4.460 4.480 0.001 0.000 0.264 428 M C 2.525 178.630 176.300 -0.324 0.000 1.062 428 M CA 0.776 55.807 55.300 -0.447 0.000 1.099 428 M CB -0.682 31.298 32.600 -1.033 0.000 1.394 428 M HN 0.201 nan 8.290 nan 0.000 0.426 429 Q N -0.505 119.127 119.800 -0.281 0.000 2.181 429 Q HA -0.147 4.194 4.340 0.001 0.000 0.205 429 Q C 1.651 177.520 176.000 -0.218 0.000 0.980 429 Q CA 1.606 57.265 55.803 -0.239 0.000 0.862 429 Q CB -0.765 27.774 28.738 -0.332 0.000 0.905 429 Q HN 0.636 nan 8.270 nan 0.000 0.429 430 Y N -0.361 119.932 120.300 -0.012 0.000 2.578 430 Y HA -0.002 4.549 4.550 0.001 0.000 0.297 430 Y C 1.846 177.735 175.900 -0.018 0.000 1.176 430 Y CA 0.108 58.205 58.100 -0.004 0.000 1.315 430 Y CB 0.157 38.620 38.460 0.005 0.000 1.031 430 Y HN 0.018 nan 8.280 nan 0.000 0.524 431 L N -1.005 120.245 121.223 0.046 0.000 2.685 431 L HA 0.314 4.654 4.340 0.001 0.000 0.235 431 L C -0.047 176.828 176.870 0.008 0.000 1.070 431 L CA 0.299 55.144 54.840 0.007 0.000 0.888 431 L CB 0.839 42.861 42.059 -0.063 0.000 1.203 431 L HN -0.015 nan 8.230 nan 0.000 0.499 432 I N 1.502 122.078 120.570 0.010 0.000 2.599 432 I HA 0.244 4.415 4.170 0.001 0.000 0.285 432 I C -2.660 173.550 176.117 0.155 0.000 1.168 432 I CA -1.450 59.911 61.300 0.103 0.000 1.060 432 I CB 2.876 40.997 38.000 0.202 0.000 1.249 432 I HN -0.217 nan 8.210 nan 0.000 0.442 433 P HA 0.163 nan 4.420 nan 0.000 0.274 433 P C 0.675 178.050 177.300 0.125 0.000 1.231 433 P CA 0.379 63.542 63.100 0.105 0.000 0.790 433 P CB 1.212 32.954 31.700 0.070 0.000 0.951 434 G N 0.666 109.528 108.800 0.104 0.000 2.221 434 G HA2 -0.252 3.709 3.960 0.001 0.000 0.265 434 G HA3 -0.252 3.709 3.960 0.001 0.000 0.265 434 G C -0.396 174.556 174.900 0.086 0.000 1.041 434 G CA -0.191 44.953 45.100 0.072 0.000 0.807 434 G HN 0.572 nan 8.290 nan 0.000 0.502 435 W N 2.034 123.333 121.300 -0.002 0.000 2.335 435 W HA 0.585 5.246 4.660 0.001 0.000 0.306 435 W C 0.897 177.431 176.519 0.026 0.000 1.216 435 W CA 0.469 57.818 57.345 0.007 0.000 1.237 435 W CB 0.844 30.305 29.460 0.001 0.000 1.243 435 W HN 0.439 nan 8.180 nan 0.000 0.493 436 T N 2.963 117.103 114.554 -0.690 0.000 2.916 436 T HA 0.469 4.819 4.350 0.001 0.000 0.292 436 T C -0.907 173.121 174.700 -1.120 0.000 1.064 436 T CA -0.913 60.862 62.100 -0.540 0.000 1.011 436 T CB 1.497 70.204 68.868 -0.267 0.000 1.152 436 T HN 0.283 nan 8.240 nan 0.000 0.510 437 F N 1.646 121.197 119.950 -0.665 0.000 2.471 437 F HA 0.498 5.025 4.527 0.001 0.000 0.353 437 F C -0.014 175.579 175.800 -0.345 0.000 1.113 437 F CA -0.160 57.551 58.000 -0.482 0.000 1.262 437 F CB 0.675 39.612 39.000 -0.105 0.000 1.146 437 F HN 0.675 nan 8.300 nan 0.000 0.578 438 D N 4.412 124.321 120.400 -0.818 0.000 2.328 438 D HA 0.094 4.735 4.640 0.001 0.000 0.243 438 D C 0.260 176.194 176.300 -0.609 0.000 1.324 438 D CA -0.413 53.311 54.000 -0.460 0.000 0.966 438 D CB 0.069 40.676 40.800 -0.322 0.000 1.324 438 D HN 0.738 nan 8.370 nan 0.000 0.549 439 N N 1.837 120.314 118.700 -0.371 0.000 2.588 439 N HA -0.157 4.583 4.740 0.001 0.000 0.190 439 N C 0.631 176.097 175.510 -0.075 0.000 1.094 439 N CA 0.464 53.430 53.050 -0.139 0.000 0.921 439 N CB 0.288 38.954 38.487 0.298 0.000 0.959 439 N HN -0.002 nan 8.380 nan 0.000 0.448 440 K N 0.187 120.545 120.400 -0.070 0.000 2.537 440 K HA 0.243 4.564 4.320 0.001 0.000 0.206 440 K C -0.546 176.058 176.600 0.006 0.000 1.041 440 K CA -0.098 56.185 56.287 -0.006 0.000 1.090 440 K CB 0.678 33.189 32.500 0.019 0.000 0.833 440 K HN 0.252 nan 8.250 nan 0.000 0.493 441 R N 1.001 121.478 120.500 -0.038 0.000 2.522 441 R HA 0.240 4.581 4.340 0.001 0.000 0.273 441 R C -3.001 173.301 176.300 0.003 0.000 1.133 441 R CA -1.452 54.651 56.100 0.005 0.000 0.969 441 R CB 1.738 32.025 30.300 -0.022 0.000 1.235 441 R HN -0.181 nan 8.270 nan 0.000 0.433 442 P HA -0.097 nan 4.420 nan 0.000 0.264 442 P C 0.993 178.364 177.300 0.119 0.000 1.179 442 P CA -0.206 62.956 63.100 0.103 0.000 0.763 442 P CB 0.404 32.192 31.700 0.147 0.000 0.806 443 C N 2.746 122.149 119.300 0.171 0.000 2.391 443 C HA -0.198 4.262 4.460 0.001 0.000 0.276 443 C C 2.170 177.348 174.990 0.313 0.000 1.217 443 C CA 1.076 60.307 59.018 0.355 0.000 1.766 443 C CB -1.765 26.127 27.740 0.254 0.000 2.046 443 C HN 0.418 nan 8.230 nan 0.000 0.475 444 M N 0.995 120.677 119.600 0.137 0.000 2.288 444 M HA 0.155 4.636 4.480 0.001 0.000 0.266 444 M C 1.035 177.389 176.300 0.090 0.000 1.072 444 M CA 0.690 56.040 55.300 0.082 0.000 1.132 444 M CB -1.094 31.502 32.600 -0.008 0.000 1.386 444 M HN 0.256 nan 8.290 nan 0.000 0.432 445 V N 3.554 123.518 119.914 0.084 0.000 2.341 445 V HA 0.076 4.197 4.120 0.001 0.000 0.248 445 V C 0.496 176.628 176.094 0.063 0.000 1.107 445 V CA 0.113 62.448 62.300 0.059 0.000 1.069 445 V CB -0.744 31.108 31.823 0.050 0.000 1.177 445 V HN 0.271 nan 8.190 nan 0.000 0.492 446 R N 0.000 120.539 120.500 0.065 0.000 2.786 446 R HA 0.000 4.340 4.340 0.001 0.000 0.208 446 R CA 0.000 56.131 56.100 0.052 0.000 0.921 446 R CB 0.000 30.364 30.300 0.107 0.000 0.687 446 R HN 0.000 nan 8.270 nan 0.000 0.535