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 1hbz_1_A DATA FIRST_RESID 6 DATA SEQUENCE TTPHATGSTR QNGAPAVSDR QSLTVGSEGP IVLHDTHLLE THQHFNRMNI DATA SEQUENCE PERRPHAKGS GAFGEFEVTE DVSKYTKALV FQPGTKTETL LRFSTVAGEL DATA SEQUENCE GSPDTWRDVR GFALRFYTEE GNYDLVGNNT PIFFLRDPMK FTHFIRSQKR DATA SEQUENCE LPDSGLRDAT MQWDFWTNNP ESAHQVTYLM GPRGLPRTWR EMNGYGSHTY DATA SEQUENCE LWVNAQGEKH WVKYHFISQQ GVHNLSNDEA TKIAGENADF HRQDLFESIA DATA SEQUENCE KGDHPKWDLY IQAIPYEEGK TYRFNPFDLT KTISQKDYPR IKVGTLTLNR DATA SEQUENCE NPKNHFAQIE SAAFSPSNTV PGIGLSPDRM LLGRAFAYHD AQLYRVGAHV DATA SEQUENCE NQLPVNRPKN AVHNYAFEGQ MWYDHTGDRS TYVPNSNGDS WSDETGPVDD DATA SEQUENCE GWEADGTLTR EAQALRADDD DFGQAGTLVR EVFSDQERDD FVETVAGALK DATA SEQUENCE GVRQDVQARA FEYWKNVDAT IGQRIEDEVK RHEGDGIPGV EAGGEARI 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.679 174.700 -0.035 0.000 1.109 6 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 6 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 7 T N 3.231 117.764 114.554 -0.035 0.000 2.899 7 T HA 0.535 4.899 4.350 0.025 0.000 0.284 7 T C -1.503 173.134 174.700 -0.106 0.000 1.004 7 T CA -1.448 60.620 62.100 -0.054 0.000 1.043 7 T CB 0.985 69.840 68.868 -0.021 0.000 1.013 7 T HN 0.270 nan 8.240 nan 0.000 0.518 8 P HA -0.047 nan 4.420 nan 0.000 0.218 8 P C 0.443 177.490 177.300 -0.423 0.000 1.148 8 P CA 1.258 64.134 63.100 -0.374 0.000 0.822 8 P CB -0.117 31.240 31.700 -0.571 0.000 0.784 9 H N -1.938 117.126 119.070 -0.010 0.000 2.486 9 H HA 0.501 5.071 4.556 0.024 0.000 0.284 9 H C 0.524 175.842 175.328 -0.016 0.000 1.103 9 H CA -0.640 55.401 56.048 -0.011 0.000 1.089 9 H CB -0.037 29.718 29.762 -0.011 0.000 1.603 9 H HN 0.053 nan 8.280 nan 0.000 0.557 10 A N 1.080 123.925 122.820 0.041 0.000 2.483 10 A HA 0.173 4.508 4.320 0.025 0.000 0.238 10 A C 1.408 179.003 177.584 0.017 0.000 1.070 10 A CA 0.668 52.717 52.037 0.020 0.000 0.770 10 A CB 0.158 19.156 19.000 -0.003 0.000 1.008 10 A HN 0.536 nan 8.150 nan 0.000 0.497 11 T N -2.092 112.465 114.554 0.004 0.000 3.043 11 T HA 0.498 4.863 4.350 0.025 0.000 0.272 11 T C 1.081 175.777 174.700 -0.007 0.000 0.990 11 T CA 0.928 63.026 62.100 -0.003 0.000 0.897 11 T CB 0.388 69.249 68.868 -0.013 0.000 1.111 11 T HN 2.376 nan 8.240 nan 0.000 0.529 12 G N 1.122 109.917 108.800 -0.008 0.000 2.255 12 G HA2 0.036 4.011 3.960 0.025 0.000 0.196 12 G HA3 0.036 4.011 3.960 0.025 0.000 0.196 12 G C 0.138 175.035 174.900 -0.004 0.000 0.998 12 G CA 0.214 45.312 45.100 -0.004 0.000 0.656 12 G HN 1.624 nan 8.290 nan 0.000 0.490 13 S N -1.089 114.602 115.700 -0.016 0.000 2.611 13 S HA 0.829 5.314 4.470 0.025 0.000 0.268 13 S C -0.653 173.918 174.600 -0.048 0.000 1.156 13 S CA 0.654 58.845 58.200 -0.016 0.000 0.817 13 S CB 1.946 65.149 63.200 0.004 0.000 1.122 13 S HN 1.794 nan 8.310 nan 0.000 0.466 14 T N -1.004 113.526 114.554 -0.039 0.000 2.916 14 T HA 0.726 5.091 4.350 0.025 0.000 0.292 14 T C -0.127 174.537 174.700 -0.059 0.000 1.064 14 T CA -1.051 61.015 62.100 -0.057 0.000 1.011 14 T CB 1.370 70.226 68.868 -0.019 0.000 1.152 14 T HN 0.797 nan 8.240 nan 0.000 0.510 15 R N 0.242 120.703 120.500 -0.065 0.000 2.668 15 R HA 0.271 4.626 4.340 0.025 0.000 0.268 15 R C 1.739 178.067 176.300 0.048 0.000 1.232 15 R CA -0.579 55.540 56.100 0.032 0.000 1.166 15 R CB 0.207 30.527 30.300 0.033 0.000 1.179 15 R HN 0.750 nan 8.270 nan 0.000 0.606 16 Q N 0.843 120.681 119.800 0.064 0.000 2.291 16 Q HA -0.121 4.234 4.340 0.025 0.000 0.205 16 Q C 1.182 177.198 176.000 0.026 0.000 0.970 16 Q CA 1.096 56.921 55.803 0.036 0.000 0.876 16 Q CB -0.029 28.728 28.738 0.032 0.000 0.935 16 Q HN 0.501 nan 8.270 nan 0.000 0.455 17 N N -0.554 118.162 118.700 0.026 0.000 2.398 17 N HA -0.010 4.745 4.740 0.025 0.000 0.188 17 N C 0.999 176.517 175.510 0.014 0.000 1.122 17 N CA 1.052 54.114 53.050 0.020 0.000 0.866 17 N CB 0.611 39.110 38.487 0.021 0.000 0.970 17 N HN 0.252 nan 8.380 nan 0.000 0.462 18 G N -0.926 107.880 108.800 0.011 0.000 2.176 18 G HA2 -0.213 3.761 3.960 0.025 0.000 0.253 18 G HA3 -0.213 3.761 3.960 0.025 0.000 0.253 18 G C 0.229 175.130 174.900 0.002 0.000 0.979 18 G CA 0.231 45.335 45.100 0.006 0.000 0.641 18 G HN 0.824 nan 8.290 nan 0.000 0.530 19 A N 0.768 123.587 122.820 -0.002 0.000 2.340 19 A HA 0.724 5.059 4.320 0.025 0.000 0.268 19 A C -1.689 175.877 177.584 -0.030 0.000 1.100 19 A CA -0.994 51.039 52.037 -0.006 0.000 0.803 19 A CB 0.337 19.334 19.000 -0.005 0.000 1.043 19 A HN 0.145 nan 8.150 nan 0.000 0.488 20 P HA 0.067 nan 4.420 nan 0.000 0.263 20 P C 0.489 177.721 177.300 -0.112 0.000 1.175 20 P CA 0.902 63.973 63.100 -0.048 0.000 0.761 20 P CB 0.717 32.412 31.700 -0.009 0.000 0.794 21 A N 3.265 125.969 122.820 -0.193 0.000 2.123 21 A HA 0.046 4.381 4.320 0.025 0.000 0.214 21 A C 1.444 178.864 177.584 -0.274 0.000 1.152 21 A CA 1.260 53.052 52.037 -0.407 0.000 0.728 21 A CB -0.712 17.848 19.000 -0.734 0.000 0.814 21 A HN 0.428 nan 8.150 nan 0.000 0.464 22 V N -1.984 117.851 119.914 -0.133 0.000 0.473 22 V HA -0.255 3.879 4.120 0.025 0.000 0.092 22 V C 0.744 176.817 176.094 -0.035 0.000 2.433 22 V CA 1.944 64.207 62.300 -0.062 0.000 3.661 22 V CB -1.762 30.035 31.823 -0.045 0.000 0.941 22 V HN 1.090 nan 8.190 nan 0.000 0.987 23 S N -0.850 114.838 115.700 -0.021 0.000 2.566 23 S HA 0.500 4.984 4.470 0.025 0.000 0.273 23 S C -0.469 174.208 174.600 0.129 0.000 1.157 23 S CA -0.110 58.113 58.200 0.038 0.000 0.938 23 S CB 1.986 65.211 63.200 0.041 0.000 1.087 23 S HN 0.400 nan 8.310 nan 0.000 0.474 24 D N 3.175 123.646 120.400 0.118 0.000 2.342 24 D HA 0.241 4.895 4.640 0.025 0.000 0.221 24 D C 1.034 177.376 176.300 0.071 0.000 1.101 24 D CA 0.166 54.259 54.000 0.154 0.000 0.837 24 D CB 0.407 41.281 40.800 0.124 0.000 0.938 24 D HN 0.510 nan 8.370 nan 0.000 0.508 25 R N -0.531 120.002 120.500 0.055 0.000 2.568 25 R HA 0.161 4.516 4.340 0.025 0.000 0.254 25 R C 0.150 176.461 176.300 0.018 0.000 0.925 25 R CA -0.129 55.986 56.100 0.026 0.000 1.025 25 R CB 1.254 31.566 30.300 0.019 0.000 1.428 25 R HN -0.052 nan 8.270 nan 0.000 0.573 26 Q N 0.420 120.235 119.800 0.025 0.000 2.359 26 Q HA 0.407 4.762 4.340 0.025 0.000 0.274 26 Q C -0.965 175.042 176.000 0.013 0.000 1.074 26 Q CA -0.390 55.420 55.803 0.011 0.000 0.810 26 Q CB 2.657 31.398 28.738 0.006 0.000 1.342 26 Q HN -0.095 nan 8.270 nan 0.000 0.427 27 S N 0.956 116.652 115.700 -0.006 0.000 2.632 27 S HA 0.423 4.908 4.470 0.025 0.000 0.267 27 S C -0.149 174.432 174.600 -0.032 0.000 1.276 27 S CA -0.646 57.541 58.200 -0.021 0.000 0.998 27 S CB 0.544 63.719 63.200 -0.042 0.000 0.953 27 S HN 0.438 nan 8.310 nan 0.000 0.547 28 L N 3.268 124.457 121.223 -0.056 0.000 2.283 28 L HA 0.430 4.784 4.340 0.025 0.000 0.287 28 L C 0.242 177.061 176.870 -0.085 0.000 1.073 28 L CA 0.402 55.194 54.840 -0.081 0.000 0.822 28 L CB -0.085 41.890 42.059 -0.140 0.000 1.186 28 L HN 0.840 nan 8.230 nan 0.000 0.436 29 T N 1.265 115.785 114.554 -0.056 0.000 2.916 29 T HA 0.574 4.939 4.350 0.025 0.000 0.292 29 T C -0.412 174.272 174.700 -0.026 0.000 1.064 29 T CA -0.882 61.194 62.100 -0.041 0.000 1.011 29 T CB 1.429 70.279 68.868 -0.030 0.000 1.152 29 T HN 0.148 nan 8.240 nan 0.000 0.510 30 V N 2.538 122.444 119.914 -0.015 0.000 2.313 30 V HA 0.572 4.707 4.120 0.025 0.000 0.252 30 V C 1.341 177.433 176.094 -0.003 0.000 1.112 30 V CA 0.794 63.093 62.300 -0.002 0.000 0.984 30 V CB -0.819 31.007 31.823 0.005 0.000 1.157 30 V HN 1.503 nan 8.190 nan 0.000 0.493 31 G N 4.732 113.530 108.800 -0.003 0.000 2.855 31 G HA2 -0.217 3.758 3.960 0.025 0.000 0.352 31 G HA3 -0.217 3.758 3.960 0.025 0.000 0.352 31 G C 0.882 175.778 174.900 -0.007 0.000 1.415 31 G CA 0.042 45.140 45.100 -0.003 0.000 0.871 31 G HN 1.186 nan 8.290 nan 0.000 0.543 32 S N -1.018 114.678 115.700 -0.006 0.000 2.402 32 S HA -0.030 4.455 4.470 0.025 0.000 0.229 32 S C 1.447 176.042 174.600 -0.008 0.000 1.021 32 S CA 1.976 60.172 58.200 -0.007 0.000 0.974 32 S CB 0.026 63.223 63.200 -0.005 0.000 0.800 32 S HN 0.668 nan 8.310 nan 0.000 0.484 33 E N 1.416 121.612 120.200 -0.007 0.000 2.474 33 E HA 0.317 4.682 4.350 0.025 0.000 0.195 33 E C 0.995 177.590 176.600 -0.009 0.000 1.039 33 E CA 0.292 56.688 56.400 -0.007 0.000 0.881 33 E CB 0.093 29.790 29.700 -0.005 0.000 0.970 33 E HN 0.595 nan 8.360 nan 0.000 0.486 34 G N 2.658 111.453 108.800 -0.009 0.000 2.535 34 G HA2 0.393 4.368 3.960 0.025 0.000 0.303 34 G HA3 0.393 4.368 3.960 0.025 0.000 0.303 34 G C -2.324 172.568 174.900 -0.014 0.000 1.237 34 G CA -1.008 44.087 45.100 -0.009 0.000 0.986 34 G HN -0.082 nan 8.290 nan 0.000 0.494 35 P HA 0.258 nan 4.420 nan 0.000 0.274 35 P C -0.147 177.137 177.300 -0.028 0.000 1.237 35 P CA -0.302 62.786 63.100 -0.019 0.000 0.793 35 P CB 1.124 32.817 31.700 -0.013 0.000 0.977 36 I N 0.928 121.475 120.570 -0.038 0.000 2.588 36 I HA 0.058 4.242 4.170 0.025 0.000 0.283 36 I C 1.011 177.098 176.117 -0.051 0.000 1.119 36 I CA -0.611 60.656 61.300 -0.055 0.000 1.419 36 I CB 0.747 38.708 38.000 -0.067 0.000 1.394 36 I HN 0.139 nan 8.210 nan 0.000 0.562 37 V N 5.050 124.918 119.914 -0.078 0.000 2.785 37 V HA 0.146 4.281 4.120 0.025 0.000 0.300 37 V C 0.911 176.976 176.094 -0.049 0.000 1.062 37 V CA -0.683 61.583 62.300 -0.056 0.000 1.029 37 V CB 1.587 33.346 31.823 -0.107 0.000 1.024 37 V HN 0.743 nan 8.190 nan 0.000 0.477 38 L N 2.753 124.001 121.223 0.043 0.000 2.131 38 L HA -0.106 4.248 4.340 0.025 0.000 0.210 38 L C 2.196 179.112 176.870 0.077 0.000 1.092 38 L CA 2.166 57.038 54.840 0.053 0.000 0.759 38 L CB -1.055 41.049 42.059 0.075 0.000 0.903 38 L HN 1.035 nan 8.230 nan 0.000 0.435 39 H N -2.163 116.910 119.070 0.004 0.000 2.645 39 H HA 0.114 4.684 4.556 0.024 0.000 0.300 39 H C -0.151 175.188 175.328 0.018 0.000 1.065 39 H CA -0.197 55.858 56.048 0.011 0.000 1.173 39 H CB -0.980 28.787 29.762 0.009 0.000 1.383 39 H HN 0.262 nan 8.280 nan 0.000 0.566 40 D N 2.736 123.047 120.400 -0.147 0.000 2.498 40 D HA -0.038 4.617 4.640 0.025 0.000 0.229 40 D C 1.289 177.596 176.300 0.012 0.000 1.188 40 D CA 0.170 54.116 54.000 -0.090 0.000 1.028 40 D CB 0.456 41.202 40.800 -0.090 0.000 1.087 40 D HN 0.515 nan 8.370 nan 0.000 0.510 41 T N 0.075 114.663 114.554 0.057 0.000 2.915 41 T HA -0.211 4.153 4.350 0.025 0.000 0.269 41 T C 1.751 176.528 174.700 0.128 0.000 1.071 41 T CA 1.015 63.168 62.100 0.088 0.000 1.132 41 T CB -0.229 68.696 68.868 0.094 0.000 0.878 41 T HN 0.365 nan 8.240 nan 0.000 0.479 42 H N 0.804 119.886 119.070 0.020 0.000 2.363 42 H HA 0.243 4.814 4.556 0.025 0.000 0.301 42 H C 1.963 177.320 175.328 0.048 0.000 1.074 42 H CA 1.029 57.094 56.048 0.028 0.000 1.354 42 H CB -0.607 29.165 29.762 0.017 0.000 1.397 42 H HN 0.282 nan 8.280 nan 0.000 0.516 43 L N 0.055 121.280 121.223 0.003 0.000 2.012 43 L HA -0.144 4.211 4.340 0.025 0.000 0.210 43 L C 2.154 179.046 176.870 0.036 0.000 1.073 43 L CA 1.548 56.380 54.840 -0.012 0.000 0.748 43 L CB -0.665 41.372 42.059 -0.037 0.000 0.891 43 L HN 0.345 nan 8.230 nan 0.000 0.431 44 L N -0.966 120.274 121.223 0.028 0.000 2.017 44 L HA -0.211 4.144 4.340 0.025 0.000 0.208 44 L C 2.527 179.443 176.870 0.077 0.000 1.073 44 L CA 1.553 56.423 54.840 0.050 0.000 0.745 44 L CB -0.627 41.458 42.059 0.044 0.000 0.894 44 L HN 0.335 nan 8.230 nan 0.000 0.432 45 E N -0.334 119.905 120.200 0.065 0.000 2.051 45 E HA -0.203 4.162 4.350 0.025 0.000 0.192 45 E C 2.169 178.810 176.600 0.068 0.000 0.991 45 E CA 1.924 58.371 56.400 0.077 0.000 0.799 45 E CB -0.139 29.617 29.700 0.093 0.000 0.748 45 E HN 0.607 nan 8.360 nan 0.000 0.449 46 T N -1.129 113.409 114.554 -0.026 0.000 2.821 46 T HA -0.153 4.212 4.350 0.025 0.000 0.267 46 T C 1.787 176.465 174.700 -0.036 0.000 1.046 46 T CA 1.046 63.106 62.100 -0.067 0.000 1.139 46 T CB -0.374 68.338 68.868 -0.261 0.000 0.871 46 T HN 0.220 nan 8.240 nan 0.000 0.454 47 H N 1.373 120.422 119.070 -0.036 0.000 2.363 47 H HA 0.070 4.640 4.556 0.023 0.000 0.301 47 H C 2.608 177.990 175.328 0.090 0.000 1.074 47 H CA 1.550 57.597 56.048 -0.002 0.000 1.354 47 H CB 0.005 29.735 29.762 -0.054 0.000 1.397 47 H HN 0.541 nan 8.280 nan 0.000 0.516 48 Q N -0.309 119.598 119.800 0.177 0.000 2.170 48 Q HA -0.173 4.182 4.340 0.025 0.000 0.203 48 Q C 2.108 178.171 176.000 0.106 0.000 0.976 48 Q CA 1.171 57.052 55.803 0.129 0.000 0.858 48 Q CB -0.045 28.758 28.738 0.107 0.000 0.907 48 Q HN 0.504 nan 8.270 nan 0.000 0.433 49 H N -0.019 119.092 119.070 0.070 0.000 2.333 49 H HA -0.124 4.447 4.556 0.024 0.000 0.302 49 H C 1.609 176.970 175.328 0.054 0.000 1.075 49 H CA 1.470 57.545 56.048 0.046 0.000 1.348 49 H CB -0.317 29.461 29.762 0.027 0.000 1.393 49 H HN 0.230 nan 8.280 nan 0.000 0.509 50 F N 1.156 121.011 119.950 -0.158 0.000 2.120 50 F HA -0.271 4.272 4.527 0.027 0.000 0.300 50 F C 1.731 177.415 175.800 -0.193 0.000 1.095 50 F CA 1.719 59.603 58.000 -0.194 0.000 1.249 50 F CB -0.281 38.596 39.000 -0.206 0.000 0.995 50 F HN 0.169 nan 8.300 nan 0.000 0.480 51 N N 0.441 119.166 118.700 0.041 0.000 2.550 51 N HA -0.052 4.702 4.740 0.025 0.000 0.186 51 N C 0.923 176.343 175.510 -0.151 0.000 1.110 51 N CA 0.790 53.819 53.050 -0.034 0.000 0.912 51 N CB -0.211 38.322 38.487 0.078 0.000 0.968 51 N HN 0.439 nan 8.380 nan 0.000 0.448 52 R N -0.850 119.498 120.500 -0.254 0.000 2.565 52 R HA 0.353 4.707 4.340 0.025 0.000 0.347 52 R C 1.305 177.383 176.300 -0.371 0.000 1.010 52 R CA -0.139 55.805 56.100 -0.260 0.000 1.126 52 R CB 0.294 30.480 30.300 -0.191 0.000 1.331 52 R HN 0.124 nan 8.270 nan 0.000 0.552 53 M N 0.302 119.629 119.600 -0.455 0.000 2.175 53 M HA -0.036 4.458 4.480 0.025 0.000 0.264 53 M C 0.136 176.259 176.300 -0.295 0.000 1.063 53 M CA 1.192 56.231 55.300 -0.435 0.000 1.119 53 M CB -0.057 32.269 32.600 -0.458 0.000 1.377 53 M HN 0.041 nan 8.290 nan 0.000 0.415 54 N N 1.852 120.417 118.700 -0.225 0.000 2.530 54 N HA 0.332 5.087 4.740 0.025 0.000 0.273 54 N C -0.568 174.920 175.510 -0.036 0.000 1.173 54 N CA 0.018 53.007 53.050 -0.103 0.000 0.967 54 N CB 0.690 39.111 38.487 -0.112 0.000 1.109 54 N HN 0.254 nan 8.380 nan 0.000 0.453 55 I N -1.761 118.838 120.570 0.048 0.000 2.846 55 I HA 0.666 4.851 4.170 0.025 0.000 0.307 55 I C -2.433 173.681 176.117 -0.006 0.000 1.053 55 I CA -2.526 58.784 61.300 0.018 0.000 1.050 55 I CB 1.851 39.899 38.000 0.079 0.000 1.239 55 I HN 0.188 nan 8.210 nan 0.000 0.439 56 P HA 0.055 nan 4.420 nan 0.000 0.265 56 P C -0.876 176.434 177.300 0.017 0.000 1.193 56 P CA 0.037 63.129 63.100 -0.013 0.000 0.765 56 P CB 0.382 32.064 31.700 -0.029 0.000 0.823 57 E N 3.023 123.246 120.200 0.038 0.000 2.392 57 E HA 0.142 4.507 4.350 0.025 0.000 0.259 57 E C -0.441 176.188 176.600 0.048 0.000 1.108 57 E CA -0.746 55.680 56.400 0.043 0.000 0.916 57 E CB 0.625 30.352 29.700 0.046 0.000 0.989 57 E HN 0.275 nan 8.360 nan 0.000 0.432 58 R N 0.914 121.443 120.500 0.048 0.000 2.623 58 R HA 0.099 4.454 4.340 0.025 0.000 0.271 58 R C 0.189 176.527 176.300 0.064 0.000 1.043 58 R CA 0.142 56.274 56.100 0.054 0.000 1.083 58 R CB 0.441 30.783 30.300 0.071 0.000 0.974 58 R HN 0.495 nan 8.270 nan 0.000 0.436 59 R N 3.759 124.292 120.500 0.055 0.000 2.435 59 R HA 0.325 4.679 4.340 0.025 0.000 0.308 59 R C -2.317 174.036 176.300 0.089 0.000 0.975 59 R CA -1.644 54.487 56.100 0.052 0.000 0.867 59 R CB 1.022 31.336 30.300 0.023 0.000 1.171 59 R HN 0.461 nan 8.270 nan 0.000 0.470 60 P HA 0.279 nan 4.420 nan 0.000 0.312 60 P C -0.922 176.540 177.300 0.269 0.000 1.308 60 P CA -0.182 63.005 63.100 0.146 0.000 0.743 60 P CB 0.438 32.211 31.700 0.122 0.000 1.364 61 H N -2.902 116.222 119.070 0.090 0.000 2.941 61 H HA -0.128 4.442 4.556 0.023 0.000 0.279 61 H C 1.072 176.440 175.328 0.067 0.000 1.247 61 H CA 0.401 56.503 56.048 0.090 0.000 1.129 61 H CB -1.758 28.051 29.762 0.078 0.000 1.313 61 H HN 0.520 nan 8.280 nan 0.000 0.384 62 A N 0.595 123.496 122.820 0.135 0.000 1.933 62 A HA -0.108 4.226 4.320 0.025 0.000 0.218 62 A C 1.521 179.171 177.584 0.109 0.000 1.175 62 A CA 1.645 53.742 52.037 0.101 0.000 0.628 62 A CB 0.026 19.065 19.000 0.065 0.000 0.814 62 A HN 0.222 nan 8.150 nan 0.000 0.444 63 K N -0.047 120.423 120.400 0.116 0.000 2.253 63 K HA 0.529 4.864 4.320 0.025 0.000 0.277 63 K C -0.107 176.623 176.600 0.216 0.000 1.053 63 K CA 0.638 57.005 56.287 0.134 0.000 0.892 63 K CB 0.600 33.144 32.500 0.073 0.000 1.102 63 K HN 0.396 nan 8.250 nan 0.000 0.469 64 G N 0.505 109.454 108.800 0.248 0.000 2.495 64 G HA2 0.526 4.501 3.960 0.025 0.000 0.294 64 G HA3 0.526 4.501 3.960 0.025 0.000 0.294 64 G C -1.528 173.569 174.900 0.328 0.000 1.397 64 G CA -0.497 44.762 45.100 0.265 0.000 0.790 64 G HN 0.574 nan 8.290 nan 0.000 0.486 65 S N -2.493 113.339 115.700 0.220 0.000 2.661 65 S HA 0.925 5.410 4.470 0.025 0.000 0.268 65 S C -0.215 174.426 174.600 0.068 0.000 1.162 65 S CA 0.556 58.946 58.200 0.315 0.000 0.817 65 S CB 1.360 64.915 63.200 0.591 0.000 1.141 65 S HN 2.297 nan 8.310 nan 0.000 0.477 66 G N -0.020 108.846 108.800 0.110 0.000 2.554 66 G HA2 0.845 4.820 3.960 0.025 0.000 0.306 66 G HA3 0.845 4.820 3.960 0.025 0.000 0.306 66 G C -1.389 173.498 174.900 -0.022 0.000 1.320 66 G CA 0.162 45.224 45.100 -0.064 0.000 0.800 66 G HN 1.494 nan 8.290 nan 0.000 0.481 67 A N -1.366 121.338 122.820 -0.194 0.000 2.601 67 A HA 0.791 5.125 4.320 0.025 0.000 0.291 67 A C -1.768 175.626 177.584 -0.315 0.000 1.075 67 A CA -0.716 51.238 52.037 -0.139 0.000 0.671 67 A CB 0.742 19.764 19.000 0.036 0.000 1.277 67 A HN 0.850 nan 8.150 nan 0.000 0.417 68 F N 0.183 120.101 119.950 -0.055 0.000 2.403 68 F HA 0.751 5.292 4.527 0.023 0.000 0.326 68 F C 1.224 176.983 175.800 -0.068 0.000 1.081 68 F CA 1.035 58.998 58.000 -0.062 0.000 1.041 68 F CB 2.183 41.149 39.000 -0.056 0.000 1.234 68 F HN 0.992 nan 8.300 nan 0.000 0.503 69 G N 0.360 109.247 108.800 0.144 0.000 2.588 69 G HA2 0.485 4.460 3.960 0.025 0.000 0.281 69 G HA3 0.485 4.460 3.960 0.025 0.000 0.281 69 G C -2.039 172.916 174.900 0.091 0.000 1.223 69 G CA -0.637 44.505 45.100 0.071 0.000 0.871 69 G HN 0.588 nan 8.290 nan 0.000 0.492 70 E N -1.179 119.083 120.200 0.104 0.000 2.343 70 E HA 0.588 4.952 4.350 0.025 0.000 0.278 70 E C -2.125 174.614 176.600 0.230 0.000 0.910 70 E CA -0.774 55.715 56.400 0.147 0.000 0.757 70 E CB 2.560 32.319 29.700 0.098 0.000 1.218 70 E HN 0.322 nan 8.360 nan 0.000 0.435 71 F N 2.661 122.711 119.950 0.166 0.000 2.458 71 F HA 0.412 4.954 4.527 0.025 0.000 0.336 71 F C -0.762 175.180 175.800 0.238 0.000 1.114 71 F CA -0.522 57.636 58.000 0.262 0.000 0.987 71 F CB 1.531 40.806 39.000 0.457 0.000 1.130 71 F HN 0.459 nan 8.300 nan 0.000 0.458 72 E N 5.369 125.238 120.200 -0.551 0.000 2.191 72 E HA 0.456 4.820 4.350 0.025 0.000 0.263 72 E C -1.639 174.685 176.600 -0.459 0.000 0.881 72 E CA -0.811 55.410 56.400 -0.298 0.000 0.757 72 E CB 1.767 31.376 29.700 -0.152 0.000 1.147 72 E HN 0.499 nan 8.360 nan 0.000 0.414 73 V N 4.234 124.100 119.914 -0.079 0.000 2.508 73 V HA 0.096 4.231 4.120 0.025 0.000 0.281 73 V C 1.161 177.262 176.094 0.012 0.000 1.041 73 V CA 0.632 62.974 62.300 0.070 0.000 1.016 73 V CB 1.036 33.001 31.823 0.238 0.000 0.984 73 V HN 0.934 nan 8.190 nan 0.000 0.478 74 T N 0.216 114.770 114.554 -0.000 0.000 3.043 74 T HA 0.339 4.704 4.350 0.025 0.000 0.272 74 T C 0.288 175.000 174.700 0.020 0.000 0.990 74 T CA -0.273 61.826 62.100 -0.002 0.000 0.897 74 T CB 0.424 69.275 68.868 -0.028 0.000 1.111 74 T HN 0.541 nan 8.240 nan 0.000 0.529 75 E N 1.223 121.449 120.200 0.043 0.000 2.393 75 E HA 0.460 4.825 4.350 0.025 0.000 0.265 75 E C -1.594 175.050 176.600 0.073 0.000 0.941 75 E CA -0.631 55.800 56.400 0.051 0.000 0.801 75 E CB 1.729 31.457 29.700 0.046 0.000 1.313 75 E HN 0.119 nan 8.360 nan 0.000 0.435 76 D N 1.157 121.600 120.400 0.071 0.000 2.454 76 D HA 0.198 4.853 4.640 0.025 0.000 0.225 76 D C 0.090 176.451 176.300 0.101 0.000 1.081 76 D CA -0.534 53.508 54.000 0.070 0.000 0.864 76 D CB 0.721 41.545 40.800 0.039 0.000 1.040 76 D HN 0.196 nan 8.370 nan 0.000 0.517 77 V N 1.829 121.827 119.914 0.141 0.000 3.121 77 V HA 0.158 4.293 4.120 0.025 0.000 0.344 77 V C 1.586 177.778 176.094 0.163 0.000 1.390 77 V CA 0.376 62.827 62.300 0.252 0.000 1.177 77 V CB -0.389 31.658 31.823 0.372 0.000 1.163 77 V HN 0.431 nan 8.190 nan 0.000 0.484 78 S N 1.861 117.590 115.700 0.048 0.000 2.442 78 S HA -0.252 4.232 4.470 0.025 0.000 0.236 78 S C 1.808 176.374 174.600 -0.057 0.000 1.007 78 S CA 1.569 59.765 58.200 -0.008 0.000 0.965 78 S CB -0.588 62.602 63.200 -0.016 0.000 0.773 78 S HN 0.911 nan 8.310 nan 0.000 0.504 79 K N 0.003 120.310 120.400 -0.155 0.000 2.362 79 K HA -0.047 4.287 4.320 0.025 0.000 0.200 79 K C 1.260 177.689 176.600 -0.284 0.000 1.046 79 K CA 1.139 57.263 56.287 -0.271 0.000 0.952 79 K CB -0.472 31.774 32.500 -0.423 0.000 0.753 79 K HN 0.565 nan 8.250 nan 0.000 0.466 80 Y N 0.545 120.864 120.300 0.032 0.000 2.524 80 Y HA 0.160 4.725 4.550 0.025 0.000 0.270 80 Y C 0.946 176.943 175.900 0.161 0.000 1.094 80 Y CA -0.003 58.152 58.100 0.092 0.000 1.276 80 Y CB 1.133 39.695 38.460 0.170 0.000 1.130 80 Y HN 0.005 nan 8.280 nan 0.000 0.536 81 T N -0.067 114.549 114.554 0.104 0.000 2.923 81 T HA 0.230 4.594 4.350 0.025 0.000 0.311 81 T C -0.026 174.575 174.700 -0.164 0.000 1.183 81 T CA -0.867 61.136 62.100 -0.162 0.000 1.020 81 T CB 1.411 69.812 68.868 -0.779 0.000 1.165 81 T HN 0.273 nan 8.240 nan 0.000 0.482 82 K N 2.040 122.342 120.400 -0.164 0.000 2.404 82 K HA 0.551 4.886 4.320 0.025 0.000 0.194 82 K C 0.729 177.218 176.600 -0.184 0.000 1.023 82 K CA -0.284 55.920 56.287 -0.139 0.000 1.094 82 K CB 0.289 32.728 32.500 -0.101 0.000 0.841 82 K HN 0.482 nan 8.250 nan 0.000 0.523 83 A N 1.831 124.482 122.820 -0.282 0.000 2.520 83 A HA 0.126 4.461 4.320 0.025 0.000 0.245 83 A C 1.152 178.570 177.584 -0.278 0.000 1.072 83 A CA -0.367 51.472 52.037 -0.331 0.000 0.761 83 A CB 0.017 18.712 19.000 -0.509 0.000 1.004 83 A HN 0.393 nan 8.150 nan 0.000 0.499 84 L N 3.324 124.402 121.223 -0.241 0.000 2.083 84 L HA -0.150 4.205 4.340 0.025 0.000 0.209 84 L C 2.482 179.232 176.870 -0.200 0.000 1.083 84 L CA 1.455 56.191 54.840 -0.174 0.000 0.752 84 L CB -0.642 41.340 42.059 -0.129 0.000 0.899 84 L HN 0.693 nan 8.230 nan 0.000 0.433 85 V N -0.537 119.159 119.914 -0.364 0.000 2.568 85 V HA -0.249 3.886 4.120 0.025 0.000 0.253 85 V C 1.507 177.358 176.094 -0.405 0.000 1.072 85 V CA 1.710 63.730 62.300 -0.468 0.000 1.084 85 V CB -0.314 31.007 31.823 -0.836 0.000 0.676 85 V HN 0.313 nan 8.190 nan 0.000 0.469 86 F N -0.280 119.569 119.950 -0.170 0.000 2.647 86 F HA 0.448 4.990 4.527 0.025 0.000 0.300 86 F C 0.983 176.750 175.800 -0.056 0.000 1.106 86 F CA -1.113 56.830 58.000 -0.095 0.000 1.313 86 F CB -0.224 38.630 39.000 -0.244 0.000 1.007 86 F HN 0.157 nan 8.300 nan 0.000 0.536 87 Q N 1.144 120.987 119.800 0.072 0.000 2.354 87 Q HA 0.233 4.587 4.340 0.025 0.000 0.244 87 Q C -2.247 173.799 176.000 0.076 0.000 0.969 87 Q CA -2.295 53.535 55.803 0.045 0.000 0.885 87 Q CB 0.096 28.832 28.738 -0.005 0.000 1.241 87 Q HN -0.004 nan 8.270 nan 0.000 0.461 88 P HA -0.058 nan 4.420 nan 0.000 0.261 88 P C 0.541 177.871 177.300 0.051 0.000 1.173 88 P CA 1.405 64.539 63.100 0.057 0.000 0.760 88 P CB 0.218 31.939 31.700 0.035 0.000 0.783 89 G N 1.860 110.694 108.800 0.056 0.000 2.184 89 G HA2 -0.250 3.725 3.960 0.025 0.000 0.264 89 G HA3 -0.250 3.725 3.960 0.025 0.000 0.264 89 G C 0.328 175.260 174.900 0.052 0.000 0.975 89 G CA 0.280 45.405 45.100 0.043 0.000 0.642 89 G HN 0.584 nan 8.290 nan 0.000 0.536 90 T N 1.584 116.185 114.554 0.078 0.000 2.870 90 T HA 0.468 4.832 4.350 0.025 0.000 0.300 90 T C 0.353 175.125 174.700 0.121 0.000 0.989 90 T CA 0.308 62.460 62.100 0.087 0.000 1.139 90 T CB 1.197 70.118 68.868 0.087 0.000 0.920 90 T HN 0.332 nan 8.240 nan 0.000 0.537 91 K N 2.547 123.009 120.400 0.103 0.000 2.244 91 K HA 0.545 4.880 4.320 0.025 0.000 0.260 91 K C -0.577 176.115 176.600 0.153 0.000 0.951 91 K CA -0.692 55.669 56.287 0.123 0.000 0.826 91 K CB 1.795 34.340 32.500 0.075 0.000 1.108 91 K HN 0.488 nan 8.250 nan 0.000 0.433 92 T N 1.409 116.105 114.554 0.236 0.000 2.886 92 T HA 0.124 4.489 4.350 0.025 0.000 0.292 92 T C -0.809 174.043 174.700 0.253 0.000 1.012 92 T CA -0.739 61.511 62.100 0.250 0.000 0.982 92 T CB 1.756 70.825 68.868 0.334 0.000 1.018 92 T HN 0.540 nan 8.240 nan 0.000 0.451 93 E N 2.121 122.445 120.200 0.207 0.000 2.392 93 E HA 0.331 4.696 4.350 0.025 0.000 0.264 93 E C -0.163 176.616 176.600 0.299 0.000 1.024 93 E CA -0.200 56.321 56.400 0.200 0.000 0.903 93 E CB 0.558 30.320 29.700 0.104 0.000 0.963 93 E HN 0.743 nan 8.360 nan 0.000 0.432 94 T N 1.591 116.273 114.554 0.214 0.000 2.901 94 T HA 0.588 4.953 4.350 0.025 0.000 0.293 94 T C -0.935 173.840 174.700 0.125 0.000 1.084 94 T CA -1.052 61.079 62.100 0.052 0.000 1.008 94 T CB 1.439 70.172 68.868 -0.226 0.000 1.170 94 T HN 0.322 nan 8.240 nan 0.000 0.509 95 L N 1.160 122.330 121.223 -0.088 0.000 2.410 95 L HA 0.811 5.166 4.340 0.025 0.000 0.270 95 L C -1.797 174.830 176.870 -0.405 0.000 0.983 95 L CA -1.019 53.651 54.840 -0.283 0.000 0.822 95 L CB 1.754 43.673 42.059 -0.233 0.000 1.285 95 L HN 0.904 nan 8.230 nan 0.000 0.409 96 L N 5.033 125.919 121.223 -0.563 0.000 2.381 96 L HA 0.641 4.996 4.340 0.025 0.000 0.274 96 L C -0.958 175.394 176.870 -0.864 0.000 0.988 96 L CA -0.619 53.703 54.840 -0.864 0.000 0.824 96 L CB 1.454 42.823 42.059 -1.150 0.000 1.263 96 L HN 0.823 nan 8.230 nan 0.000 0.410 97 R N 4.003 123.950 120.500 -0.923 0.000 2.387 97 R HA 0.562 4.917 4.340 0.025 0.000 0.314 97 R C -1.597 174.125 176.300 -0.964 0.000 0.958 97 R CA -0.384 55.268 56.100 -0.748 0.000 0.846 97 R CB 1.129 31.179 30.300 -0.417 0.000 1.147 97 R HN 0.420 nan 8.270 nan 0.000 0.447 98 F N 1.689 121.165 119.950 -0.790 0.000 2.440 98 F HA 0.540 5.082 4.527 0.025 0.000 0.328 98 F C 0.374 175.746 175.800 -0.713 0.000 1.070 98 F CA -0.261 57.136 58.000 -1.007 0.000 1.011 98 F CB 2.173 39.957 39.000 -2.026 0.000 1.226 98 F HN 0.631 nan 8.300 nan 0.000 0.491 99 S N -1.225 114.394 115.700 -0.134 0.000 2.595 99 S HA 0.562 5.046 4.470 0.025 0.000 0.270 99 S C -0.696 174.096 174.600 0.320 0.000 1.145 99 S CA -0.982 57.320 58.200 0.169 0.000 0.825 99 S CB 1.119 64.454 63.200 0.225 0.000 1.107 99 S HN 0.727 nan 8.310 nan 0.000 0.461 100 T N -1.024 113.717 114.554 0.312 0.000 2.865 100 T HA 0.679 5.043 4.350 0.025 0.000 0.302 100 T C 0.901 175.612 174.700 0.018 0.000 1.078 100 T CA -0.094 62.151 62.100 0.241 0.000 0.942 100 T CB 0.275 69.289 68.868 0.244 0.000 1.387 100 T HN 0.662 nan 8.240 nan 0.000 0.557 101 V N -0.332 119.555 119.914 -0.045 0.000 2.948 101 V HA 0.321 4.456 4.120 0.025 0.000 0.234 101 V C 2.720 178.757 176.094 -0.094 0.000 1.205 101 V CA 0.799 62.933 62.300 -0.276 0.000 1.234 101 V CB -0.795 30.951 31.823 -0.127 0.000 1.020 101 V HN 1.010 nan 8.190 nan 0.000 0.491 102 A N 0.441 123.268 122.820 0.011 0.000 1.935 102 A HA 0.360 4.695 4.320 0.025 0.000 0.214 102 A C 1.570 179.202 177.584 0.080 0.000 1.178 102 A CA 1.061 53.099 52.037 0.002 0.000 0.640 102 A CB -0.843 18.159 19.000 0.003 0.000 0.825 102 A HN 0.544 nan 8.150 nan 0.000 0.447 103 G N -0.022 108.880 108.800 0.170 0.000 2.569 103 G HA2 0.446 4.421 3.960 0.025 0.000 0.249 103 G HA3 0.446 4.421 3.960 0.025 0.000 0.249 103 G C -0.260 174.661 174.900 0.035 0.000 1.216 103 G CA -0.296 44.892 45.100 0.147 0.000 0.845 103 G HN 0.423 nan 8.290 nan 0.000 0.568 104 E N -0.779 119.430 120.200 0.015 0.000 2.849 104 E HA 0.378 4.743 4.350 0.025 0.000 0.257 104 E C 0.182 176.773 176.600 -0.015 0.000 1.306 104 E CA -0.802 55.603 56.400 0.009 0.000 1.058 104 E CB 0.388 30.100 29.700 0.019 0.000 1.249 104 E HN 0.288 nan 8.360 nan 0.000 0.638 105 L N 0.843 122.070 121.223 0.006 0.000 2.490 105 L HA 0.222 4.576 4.340 0.025 0.000 0.274 105 L C 1.348 178.203 176.870 -0.025 0.000 1.201 105 L CA 1.953 56.799 54.840 0.010 0.000 0.869 105 L CB -0.116 41.962 42.059 0.031 0.000 1.123 105 L HN 0.693 nan 8.230 nan 0.000 0.484 106 G N 2.028 110.806 108.800 -0.037 0.000 2.245 106 G HA2 -0.328 3.647 3.960 0.025 0.000 0.264 106 G HA3 -0.328 3.647 3.960 0.025 0.000 0.264 106 G C 0.446 175.260 174.900 -0.144 0.000 0.985 106 G CA 0.596 45.655 45.100 -0.069 0.000 0.625 106 G HN 1.126 nan 8.290 nan 0.000 0.536 107 S N 1.096 116.665 115.700 -0.219 0.000 2.563 107 S HA 0.470 4.955 4.470 0.025 0.000 0.284 107 S C -1.989 172.271 174.600 -0.566 0.000 1.331 107 S CA -0.533 57.369 58.200 -0.497 0.000 1.047 107 S CB 1.236 64.012 63.200 -0.706 0.000 0.859 107 S HN 0.247 nan 8.310 nan 0.000 0.514 108 P HA 0.165 nan 4.420 nan 0.000 0.268 108 P C 0.126 177.123 177.300 -0.506 0.000 1.205 108 P CA -0.122 62.637 63.100 -0.568 0.000 0.771 108 P CB 0.357 31.755 31.700 -0.503 0.000 0.858 109 D N 0.670 120.914 120.400 -0.259 0.000 2.218 109 D HA -0.093 4.561 4.640 0.025 0.000 0.204 109 D C 1.259 177.484 176.300 -0.126 0.000 0.976 109 D CA 1.640 55.552 54.000 -0.148 0.000 0.853 109 D CB -0.406 40.250 40.800 -0.240 0.000 0.939 109 D HN 0.419 nan 8.370 nan 0.000 0.481 110 T N -2.406 112.055 114.554 -0.155 0.000 3.273 110 T HA 0.064 4.429 4.350 0.025 0.000 0.254 110 T C 0.292 175.132 174.700 0.233 0.000 1.002 110 T CA -0.756 61.336 62.100 -0.013 0.000 0.913 110 T CB -0.399 68.401 68.868 -0.114 0.000 1.056 110 T HN -0.098 nan 8.240 nan 0.000 0.576 111 W N 2.706 124.039 121.300 0.054 0.000 2.137 111 W HA 0.378 5.052 4.660 0.024 0.000 0.344 111 W C 1.002 177.593 176.519 0.119 0.000 1.286 111 W CA -2.032 55.357 57.345 0.073 0.000 1.240 111 W CB 0.279 29.780 29.460 0.069 0.000 1.141 111 W HN 0.212 nan 8.180 nan 0.000 0.579 112 R N 2.827 123.505 120.500 0.296 0.000 2.370 112 R HA 0.149 4.503 4.340 0.025 0.000 0.309 112 R C -0.611 175.860 176.300 0.285 0.000 1.059 112 R CA 0.638 56.886 56.100 0.248 0.000 0.981 112 R CB 0.107 30.510 30.300 0.173 0.000 0.972 112 R HN 0.432 nan 8.270 nan 0.000 0.437 113 D N 2.065 122.655 120.400 0.318 0.000 2.807 113 D HA 0.094 4.749 4.640 0.025 0.000 0.279 113 D C -1.174 175.347 176.300 0.369 0.000 1.247 113 D CA -0.473 53.732 54.000 0.342 0.000 0.749 113 D CB 1.514 42.513 40.800 0.331 0.000 1.264 113 D HN 0.190 nan 8.370 nan 0.000 0.421 114 V N 1.606 121.760 119.914 0.400 0.000 2.843 114 V HA 0.360 4.495 4.120 0.025 0.000 0.305 114 V C 0.493 176.810 176.094 0.371 0.000 1.065 114 V CA 0.276 62.819 62.300 0.405 0.000 1.116 114 V CB 0.842 32.956 31.823 0.486 0.000 0.968 114 V HN 0.390 nan 8.190 nan 0.000 0.487 115 R N 1.924 122.657 120.500 0.388 0.000 2.514 115 R HA 0.614 4.968 4.340 0.025 0.000 0.301 115 R C 0.249 176.778 176.300 0.382 0.000 0.962 115 R CA -0.102 56.230 56.100 0.387 0.000 0.882 115 R CB 1.621 32.171 30.300 0.417 0.000 1.143 115 R HN 0.928 nan 8.270 nan 0.000 0.452 116 G N 0.969 109.999 108.800 0.383 0.000 2.476 116 G HA2 0.389 4.364 3.960 0.025 0.000 0.269 116 G HA3 0.389 4.364 3.960 0.025 0.000 0.269 116 G C -1.171 173.782 174.900 0.089 0.000 1.195 116 G CA -0.110 45.147 45.100 0.261 0.000 0.843 116 G HN 0.490 nan 8.290 nan 0.000 0.545 117 F N 1.810 121.610 119.950 -0.249 0.000 2.872 117 F HA 0.558 5.100 4.527 0.025 0.000 0.365 117 F C 0.187 175.595 175.800 -0.654 0.000 1.296 117 F CA -0.932 56.786 58.000 -0.470 0.000 1.199 117 F CB 0.828 39.633 39.000 -0.325 0.000 1.687 117 F HN 0.627 nan 8.300 nan 0.000 0.604 118 A N 4.824 127.103 122.820 -0.902 0.000 2.253 118 A HA 0.671 5.005 4.320 0.025 0.000 0.316 118 A C -1.665 175.178 177.584 -1.234 0.000 1.327 118 A CA -0.467 50.906 52.037 -1.107 0.000 0.917 118 A CB 0.575 18.641 19.000 -1.556 0.000 1.162 118 A HN 0.599 nan 8.150 nan 0.000 0.535 119 L N 2.919 123.620 121.223 -0.871 0.000 2.333 119 L HA 0.637 4.992 4.340 0.025 0.000 0.280 119 L C -0.020 176.556 176.870 -0.490 0.000 1.004 119 L CA -0.372 54.014 54.840 -0.757 0.000 0.820 119 L CB 1.532 43.081 42.059 -0.851 0.000 1.247 119 L HN 0.746 nan 8.230 nan 0.000 0.416 120 R N 4.133 124.412 120.500 -0.369 0.000 2.393 120 R HA 0.597 4.952 4.340 0.025 0.000 0.310 120 R C -1.682 174.325 176.300 -0.489 0.000 0.968 120 R CA -0.436 55.451 56.100 -0.354 0.000 0.867 120 R CB 0.855 30.904 30.300 -0.419 0.000 1.124 120 R HN 0.514 nan 8.270 nan 0.000 0.450 121 F N 3.984 123.745 119.950 -0.315 0.000 2.411 121 F HA 0.322 4.863 4.527 0.024 0.000 0.352 121 F C -0.611 175.078 175.800 -0.185 0.000 1.123 121 F CA -0.675 57.229 58.000 -0.159 0.000 1.044 121 F CB 1.200 40.149 39.000 -0.086 0.000 1.135 121 F HN 0.457 nan 8.300 nan 0.000 0.461 122 Y N 1.804 122.183 120.300 0.132 0.000 2.632 122 Y HA 0.217 4.781 4.550 0.023 0.000 0.336 122 Y C 1.082 177.020 175.900 0.062 0.000 1.237 122 Y CA -0.718 57.423 58.100 0.069 0.000 1.595 122 Y CB -0.149 38.333 38.460 0.036 0.000 1.508 122 Y HN 0.580 nan 8.280 nan 0.000 0.480 123 T N -2.302 112.333 114.554 0.135 0.000 2.847 123 T HA 0.130 4.494 4.350 0.025 0.000 0.279 123 T C 1.111 175.833 174.700 0.038 0.000 0.984 123 T CA -0.806 61.327 62.100 0.056 0.000 0.988 123 T CB 1.117 69.960 68.868 -0.042 0.000 1.040 123 T HN 0.442 nan 8.240 nan 0.000 0.528 124 E N 0.203 120.405 120.200 0.003 0.000 2.478 124 E HA -0.018 4.346 4.350 0.025 0.000 0.198 124 E C 0.869 177.458 176.600 -0.018 0.000 1.046 124 E CA 0.719 57.116 56.400 -0.005 0.000 0.870 124 E CB 0.113 29.804 29.700 -0.015 0.000 0.818 124 E HN 0.846 nan 8.360 nan 0.000 0.527 125 E N -0.310 119.870 120.200 -0.034 0.000 2.869 125 E HA 0.327 4.691 4.350 0.025 0.000 0.207 125 E C -0.229 176.354 176.600 -0.027 0.000 0.986 125 E CA -0.078 56.298 56.400 -0.039 0.000 1.131 125 E CB 0.436 30.094 29.700 -0.070 0.000 1.098 125 E HN 0.192 nan 8.360 nan 0.000 0.459 126 G N 0.824 109.622 108.800 -0.003 0.000 2.440 126 G HA2 -0.180 3.795 3.960 0.025 0.000 0.684 126 G HA3 -0.180 3.795 3.960 0.025 0.000 0.684 126 G C -1.128 173.783 174.900 0.018 0.000 1.309 126 G CA -1.122 43.985 45.100 0.011 0.000 0.931 126 G HN 0.103 nan 8.290 nan 0.000 0.612 127 N N 0.007 118.708 118.700 0.002 0.000 2.442 127 N HA 0.427 5.181 4.740 0.025 0.000 0.265 127 N C -0.728 174.785 175.510 0.006 0.000 1.138 127 N CA -0.007 53.010 53.050 -0.054 0.000 0.956 127 N CB 0.937 39.335 38.487 -0.147 0.000 1.067 127 N HN 0.571 nan 8.380 nan 0.000 0.474 128 Y N 2.317 122.557 120.300 -0.101 0.000 2.342 128 Y HA 0.307 4.872 4.550 0.025 0.000 0.338 128 Y C -0.996 174.901 175.900 -0.004 0.000 0.965 128 Y CA -1.272 56.777 58.100 -0.085 0.000 1.159 128 Y CB 0.488 38.834 38.460 -0.190 0.000 1.157 128 Y HN 0.368 nan 8.280 nan 0.000 0.486 129 D N 6.653 126.760 120.400 -0.489 0.000 2.256 129 D HA 0.273 4.928 4.640 0.025 0.000 0.240 129 D C -0.969 174.923 176.300 -0.679 0.000 1.062 129 D CA -0.143 53.585 54.000 -0.453 0.000 0.832 129 D CB 2.123 42.811 40.800 -0.186 0.000 1.135 129 D HN 0.690 nan 8.370 nan 0.000 0.484 130 L N 2.875 123.738 121.223 -0.600 0.000 2.313 130 L HA 0.327 4.682 4.340 0.025 0.000 0.273 130 L C -1.187 175.480 176.870 -0.338 0.000 1.028 130 L CA -0.670 53.878 54.840 -0.486 0.000 0.871 130 L CB 0.712 42.523 42.059 -0.412 0.000 1.242 130 L HN 0.064 nan 8.230 nan 0.000 0.434 131 V N 5.257 125.015 119.914 -0.259 0.000 2.284 131 V HA 0.483 4.618 4.120 0.025 0.000 0.260 131 V C 0.926 176.943 176.094 -0.128 0.000 1.084 131 V CA -0.184 61.949 62.300 -0.278 0.000 0.894 131 V CB 0.379 32.014 31.823 -0.314 0.000 1.119 131 V HN 0.803 nan 8.190 nan 0.000 0.484 132 G N 3.458 112.193 108.800 -0.108 0.000 2.753 132 G HA2 0.625 4.600 3.960 0.025 0.000 0.285 132 G HA3 0.625 4.600 3.960 0.025 0.000 0.285 132 G C -0.763 174.164 174.900 0.044 0.000 1.344 132 G CA -0.587 44.521 45.100 0.013 0.000 1.050 132 G HN 0.495 nan 8.290 nan 0.000 0.532 133 N N -1.021 117.741 118.700 0.102 0.000 2.761 133 N HA 0.210 4.965 4.740 0.025 0.000 0.283 133 N C 0.112 175.747 175.510 0.208 0.000 1.377 133 N CA -0.713 52.450 53.050 0.187 0.000 0.791 133 N CB 1.451 40.066 38.487 0.214 0.000 1.540 133 N HN 0.519 nan 8.380 nan 0.000 0.539 134 N N -0.945 117.927 118.700 0.286 0.000 2.362 134 N HA -0.003 4.751 4.740 0.025 0.000 0.211 134 N C -0.499 175.268 175.510 0.429 0.000 1.170 134 N CA 0.069 53.336 53.050 0.361 0.000 0.828 134 N CB -0.014 38.710 38.487 0.395 0.000 1.034 134 N HN 0.397 nan 8.380 nan 0.000 0.475 135 T N -0.269 114.385 114.554 0.168 0.000 2.933 135 T HA 0.371 4.735 4.350 0.025 0.000 0.305 135 T C -2.505 171.855 174.700 -0.567 0.000 1.092 135 T CA -1.638 60.182 62.100 -0.467 0.000 1.008 135 T CB 2.234 70.650 68.868 -0.754 0.000 1.102 135 T HN -0.178 nan 8.240 nan 0.000 0.469 136 P HA 0.165 nan 4.420 nan 0.000 0.236 136 P C 0.617 177.635 177.300 -0.469 0.000 1.177 136 P CA 0.256 62.935 63.100 -0.703 0.000 0.773 136 P CB -0.021 31.222 31.700 -0.762 0.000 0.878 137 I N -5.015 115.231 120.570 -0.539 0.000 3.294 137 I HA 0.621 4.806 4.170 0.025 0.000 0.311 137 I C -1.073 174.885 176.117 -0.266 0.000 1.111 137 I CA -1.490 59.553 61.300 -0.430 0.000 0.976 137 I CB 1.444 39.076 38.000 -0.613 0.000 1.260 137 I HN -0.255 nan 8.210 nan 0.000 0.474 138 F N -0.092 119.623 119.950 -0.392 0.000 2.706 138 F HA 0.528 5.070 4.527 0.024 0.000 0.328 138 F C 0.092 175.711 175.800 -0.302 0.000 1.123 138 F CA -0.974 56.829 58.000 -0.328 0.000 0.978 138 F CB 1.630 40.573 39.000 -0.095 0.000 1.404 138 F HN 0.354 nan 8.300 nan 0.000 0.497 139 F N 1.340 120.878 119.950 -0.688 0.000 2.502 139 F HA 0.181 4.723 4.527 0.025 0.000 0.298 139 F C 0.178 175.862 175.800 -0.193 0.000 1.111 139 F CA 0.775 58.462 58.000 -0.521 0.000 1.445 139 F CB -0.195 38.240 39.000 -0.941 0.000 1.081 139 F HN -0.079 nan 8.300 nan 0.000 0.558 140 L N -0.663 120.677 121.223 0.194 0.000 2.376 140 L HA 0.463 4.817 4.340 0.025 0.000 0.258 140 L C 0.698 177.704 176.870 0.227 0.000 1.013 140 L CA -0.927 54.057 54.840 0.239 0.000 0.822 140 L CB 2.360 44.642 42.059 0.372 0.000 1.388 140 L HN -0.115 nan 8.230 nan 0.000 0.413 141 R N -0.995 119.606 120.500 0.168 0.000 2.535 141 R HA 0.328 4.683 4.340 0.025 0.000 0.323 141 R C -0.691 175.690 176.300 0.136 0.000 0.979 141 R CA -0.331 55.848 56.100 0.132 0.000 1.120 141 R CB 0.766 31.109 30.300 0.071 0.000 1.306 141 R HN 0.555 nan 8.270 nan 0.000 0.540 142 D N 1.280 121.784 120.400 0.173 0.000 2.964 142 D HA 0.195 4.850 4.640 0.025 0.000 0.234 142 D C -2.061 174.370 176.300 0.218 0.000 1.223 142 D CA -2.078 52.019 54.000 0.162 0.000 0.889 142 D CB 2.758 43.638 40.800 0.133 0.000 1.609 142 D HN -0.173 nan 8.370 nan 0.000 0.523 143 P HA -0.099 nan 4.420 nan 0.000 0.226 143 P C 1.488 178.951 177.300 0.271 0.000 1.153 143 P CA 0.357 63.592 63.100 0.225 0.000 0.777 143 P CB 0.309 32.094 31.700 0.141 0.000 0.794 144 M N 0.655 120.394 119.600 0.232 0.000 2.202 144 M HA -0.118 4.377 4.480 0.025 0.000 0.262 144 M C 1.705 178.220 176.300 0.359 0.000 1.063 144 M CA 1.846 57.294 55.300 0.246 0.000 1.097 144 M CB -0.737 31.980 32.600 0.195 0.000 1.382 144 M HN -0.224 nan 8.290 nan 0.000 0.413 145 K N -1.650 118.986 120.400 0.393 0.000 2.418 145 K HA -0.042 4.292 4.320 0.025 0.000 0.195 145 K C 1.690 178.607 176.600 0.529 0.000 1.035 145 K CA 0.601 57.192 56.287 0.506 0.000 1.003 145 K CB -0.276 32.491 32.500 0.445 0.000 0.793 145 K HN 0.363 nan 8.250 nan 0.000 0.494 146 F N 2.278 122.420 119.950 0.319 0.000 2.186 146 F HA -0.237 4.303 4.527 0.022 0.000 0.299 146 F C 2.391 178.295 175.800 0.174 0.000 1.090 146 F CA 1.759 59.952 58.000 0.320 0.000 1.307 146 F CB -0.289 38.886 39.000 0.291 0.000 1.019 146 F HN 0.021 nan 8.300 nan 0.000 0.489 147 T N -2.055 112.576 114.554 0.127 0.000 2.708 147 T HA -0.262 4.103 4.350 0.025 0.000 0.266 147 T C 1.931 176.438 174.700 -0.321 0.000 1.037 147 T CA 1.792 63.803 62.100 -0.149 0.000 1.146 147 T CB -1.044 67.726 68.868 -0.163 0.000 0.865 147 T HN 0.409 nan 8.240 nan 0.000 0.435 148 H N 0.190 119.214 119.070 -0.077 0.000 2.319 148 H HA -0.025 4.547 4.556 0.027 0.000 0.299 148 H C 2.102 177.080 175.328 -0.583 0.000 1.092 148 H CA 1.729 57.674 56.048 -0.171 0.000 1.302 148 H CB -0.778 29.042 29.762 0.096 0.000 1.373 148 H HN 0.538 nan 8.280 nan 0.000 0.497 149 F N 1.483 120.980 119.950 -0.754 0.000 2.069 149 F HA -0.217 4.325 4.527 0.025 0.000 0.298 149 F C 2.334 177.629 175.800 -0.841 0.000 1.113 149 F CA 1.079 58.337 58.000 -1.237 0.000 1.214 149 F CB -0.158 38.425 39.000 -0.695 0.000 0.978 149 F HN -0.060 nan 8.300 nan 0.000 0.474 150 I N 0.857 120.801 120.570 -1.044 0.000 2.252 150 I HA -0.218 3.967 4.170 0.025 0.000 0.245 150 I C 2.404 178.105 176.117 -0.693 0.000 1.102 150 I CA 1.361 62.069 61.300 -0.986 0.000 1.385 150 I CB -1.359 36.180 38.000 -0.769 0.000 1.064 150 I HN 0.245 nan 8.210 nan 0.000 0.414 151 R N 0.910 121.092 120.500 -0.530 0.000 2.105 151 R HA -0.149 4.205 4.340 0.025 0.000 0.239 151 R C 2.437 178.491 176.300 -0.411 0.000 1.135 151 R CA 1.817 57.691 56.100 -0.377 0.000 0.967 151 R CB -0.438 29.703 30.300 -0.266 0.000 0.861 151 R HN 0.488 nan 8.270 nan 0.000 0.442 152 S N 0.507 115.877 115.700 -0.550 0.000 2.447 152 S HA -0.102 4.383 4.470 0.025 0.000 0.233 152 S C 1.740 175.990 174.600 -0.582 0.000 1.006 152 S CA 0.720 58.604 58.200 -0.526 0.000 0.957 152 S CB 0.076 62.918 63.200 -0.597 0.000 0.773 152 S HN 0.222 nan 8.310 nan 0.000 0.507 153 Q N 0.740 120.109 119.800 -0.719 0.000 2.451 153 Q HA 0.280 4.635 4.340 0.025 0.000 0.206 153 Q C 0.895 176.667 176.000 -0.381 0.000 0.947 153 Q CA 0.521 55.955 55.803 -0.615 0.000 0.937 153 Q CB 0.180 28.451 28.738 -0.778 0.000 1.025 153 Q HN 0.670 nan 8.270 nan 0.000 0.511 154 K N 0.042 120.243 120.400 -0.331 0.000 3.283 154 K HA 0.373 4.708 4.320 0.025 0.000 0.249 154 K C 0.237 176.737 176.600 -0.166 0.000 1.008 154 K CA -0.516 55.649 56.287 -0.203 0.000 1.687 154 K CB 0.606 32.997 32.500 -0.182 0.000 2.788 154 K HN -0.158 nan 8.250 nan 0.000 0.849 155 R N 0.626 121.050 120.500 -0.126 0.000 2.778 155 R HA 0.399 4.754 4.340 0.025 0.000 0.277 155 R C -0.657 175.589 176.300 -0.090 0.000 0.977 155 R CA -0.712 55.331 56.100 -0.094 0.000 0.950 155 R CB 1.019 31.285 30.300 -0.056 0.000 1.165 155 R HN 0.238 nan 8.270 nan 0.000 0.474 156 L N 3.463 124.641 121.223 -0.075 0.000 2.485 156 L HA 0.079 4.434 4.340 0.025 0.000 0.275 156 L C -1.102 175.740 176.870 -0.047 0.000 1.207 156 L CA -1.180 53.623 54.840 -0.061 0.000 0.855 156 L CB 0.511 42.541 42.059 -0.050 0.000 1.114 156 L HN 0.461 nan 8.230 nan 0.000 0.485 157 P HA -0.135 nan 4.420 nan 0.000 0.219 157 P C 0.425 177.711 177.300 -0.024 0.000 1.150 157 P CA 1.080 64.160 63.100 -0.033 0.000 0.814 157 P CB 0.109 31.792 31.700 -0.029 0.000 0.787 158 D N 0.179 120.566 120.400 -0.021 0.000 2.290 158 D HA -0.084 4.571 4.640 0.025 0.000 0.224 158 D C 1.841 178.133 176.300 -0.014 0.000 0.967 158 D CA 1.475 55.465 54.000 -0.015 0.000 0.893 158 D CB -1.113 39.679 40.800 -0.012 0.000 1.037 158 D HN 0.222 nan 8.370 nan 0.000 0.477 159 S N -1.071 114.619 115.700 -0.017 0.000 2.501 159 S HA 0.328 4.813 4.470 0.025 0.000 0.220 159 S C 1.912 176.504 174.600 -0.014 0.000 0.997 159 S CA 0.475 58.667 58.200 -0.014 0.000 0.919 159 S CB -0.226 62.964 63.200 -0.015 0.000 0.778 159 S HN 0.649 nan 8.310 nan 0.000 0.523 160 G N 1.074 109.862 108.800 -0.020 0.000 2.160 160 G HA2 -0.219 3.756 3.960 0.025 0.000 0.251 160 G HA3 -0.219 3.756 3.960 0.025 0.000 0.251 160 G C -0.161 174.728 174.900 -0.018 0.000 1.008 160 G CA 0.505 45.595 45.100 -0.018 0.000 0.724 160 G HN 0.552 nan 8.290 nan 0.000 0.514 161 L N -0.290 120.915 121.223 -0.030 0.000 2.331 161 L HA 0.597 4.952 4.340 0.025 0.000 0.275 161 L C 1.216 178.047 176.870 -0.065 0.000 1.022 161 L CA -1.251 53.566 54.840 -0.038 0.000 0.812 161 L CB 1.181 43.218 42.059 -0.036 0.000 1.257 161 L HN 0.072 nan 8.230 nan 0.000 0.435 162 R N 1.007 121.454 120.500 -0.087 0.000 2.641 162 R HA 0.234 4.589 4.340 0.025 0.000 0.269 162 R C -0.959 175.267 176.300 -0.123 0.000 1.074 162 R CA -0.255 55.766 56.100 -0.132 0.000 1.133 162 R CB 0.478 30.664 30.300 -0.190 0.000 1.029 162 R HN 0.450 nan 8.270 nan 0.000 0.488 163 D N 0.004 120.324 120.400 -0.134 0.000 2.763 163 D HA 0.225 4.880 4.640 0.025 0.000 0.235 163 D C 0.099 176.342 176.300 -0.096 0.000 1.334 163 D CA -0.413 53.530 54.000 -0.094 0.000 0.950 163 D CB 1.771 42.526 40.800 -0.074 0.000 1.433 163 D HN 0.472 nan 8.370 nan 0.000 0.580 164 A N 2.600 125.400 122.820 -0.033 0.000 2.019 164 A HA -0.093 4.241 4.320 0.025 0.000 0.219 164 A C 1.866 179.536 177.584 0.143 0.000 1.164 164 A CA 1.777 53.846 52.037 0.054 0.000 0.644 164 A CB -0.383 18.732 19.000 0.191 0.000 0.805 164 A HN 0.616 nan 8.150 nan 0.000 0.449 165 T N -0.194 114.412 114.554 0.087 0.000 2.708 165 T HA -0.205 4.160 4.350 0.025 0.000 0.266 165 T C 1.937 176.661 174.700 0.041 0.000 1.037 165 T CA 1.773 63.928 62.100 0.091 0.000 1.146 165 T CB -0.310 68.582 68.868 0.040 0.000 0.865 165 T HN 0.605 nan 8.240 nan 0.000 0.435 166 M N 0.931 120.508 119.600 -0.039 0.000 2.108 166 M HA -0.188 4.307 4.480 0.025 0.000 0.261 166 M C 2.343 178.536 176.300 -0.179 0.000 1.066 166 M CA 1.661 56.907 55.300 -0.090 0.000 1.107 166 M CB -0.251 32.274 32.600 -0.126 0.000 1.356 166 M HN 0.209 nan 8.290 nan 0.000 0.406 167 Q N -0.704 118.905 119.800 -0.318 0.000 2.050 167 Q HA -0.218 4.137 4.340 0.025 0.000 0.202 167 Q C 1.741 177.337 176.000 -0.672 0.000 0.980 167 Q CA 2.359 57.729 55.803 -0.721 0.000 0.840 167 Q CB -0.389 27.781 28.738 -0.947 0.000 0.898 167 Q HN 0.716 nan 8.270 nan 0.000 0.424 168 W N 0.792 122.009 121.300 -0.138 0.000 2.436 168 W HA -0.112 4.563 4.660 0.026 0.000 0.284 168 W C 1.882 178.397 176.519 -0.006 0.000 1.225 168 W CA 0.523 57.900 57.345 0.053 0.000 1.271 168 W CB -0.060 29.443 29.460 0.072 0.000 1.114 168 W HN 0.234 nan 8.180 nan 0.000 0.559 169 D N -0.111 120.380 120.400 0.152 0.000 2.097 169 D HA -0.252 4.403 4.640 0.025 0.000 0.195 169 D C 1.838 178.174 176.300 0.060 0.000 0.989 169 D CA 1.302 55.352 54.000 0.083 0.000 0.827 169 D CB -0.460 40.370 40.800 0.049 0.000 0.966 169 D HN 0.089 nan 8.370 nan 0.000 0.456 170 F N -0.230 119.662 119.950 -0.096 0.000 2.113 170 F HA -0.118 4.425 4.527 0.026 0.000 0.297 170 F C 1.938 177.757 175.800 0.032 0.000 1.103 170 F CA 1.369 59.315 58.000 -0.089 0.000 1.248 170 F CB -0.315 38.563 39.000 -0.204 0.000 0.999 170 F HN 0.036 nan 8.300 nan 0.000 0.475 171 W N 1.107 122.417 121.300 0.017 0.000 2.358 171 W HA -0.168 4.507 4.660 0.025 0.000 0.303 171 W C 2.895 179.313 176.519 -0.169 0.000 1.208 171 W CA 2.435 59.724 57.345 -0.094 0.000 1.274 171 W CB -1.821 27.553 29.460 -0.144 0.000 1.138 171 W HN 0.184 nan 8.180 nan 0.000 0.515 172 T N -2.440 112.147 114.554 0.055 0.000 2.915 172 T HA -0.136 4.229 4.350 0.025 0.000 0.269 172 T C 1.237 175.971 174.700 0.057 0.000 1.071 172 T CA 1.400 63.492 62.100 -0.012 0.000 1.132 172 T CB -0.732 68.125 68.868 -0.019 0.000 0.878 172 T HN 0.138 nan 8.240 nan 0.000 0.479 173 N N 1.389 120.066 118.700 -0.039 0.000 2.398 173 N HA 0.135 4.890 4.740 0.025 0.000 0.188 173 N C -0.186 175.230 175.510 -0.158 0.000 1.122 173 N CA -0.035 52.964 53.050 -0.084 0.000 0.866 173 N CB 0.209 38.627 38.487 -0.114 0.000 0.970 173 N HN 0.336 nan 8.380 nan 0.000 0.462 174 N N 0.618 119.209 118.700 -0.181 0.000 2.752 174 N HA 0.116 4.871 4.740 0.025 0.000 0.260 174 N C -2.283 173.215 175.510 -0.020 0.000 1.562 174 N CA -0.907 52.029 53.050 -0.189 0.000 0.788 174 N CB 1.575 39.779 38.487 -0.471 0.000 1.192 174 N HN 0.102 nan 8.380 nan 0.000 0.503 175 P HA -0.166 nan 4.420 nan 0.000 0.228 175 P C 1.130 178.271 177.300 -0.265 0.000 1.151 175 P CA 1.007 64.087 63.100 -0.033 0.000 0.770 175 P CB 0.275 31.954 31.700 -0.036 0.000 0.786 176 E N 0.956 121.054 120.200 -0.170 0.000 2.267 176 E HA -0.157 4.208 4.350 0.025 0.000 0.197 176 E C 1.647 178.176 176.600 -0.118 0.000 0.998 176 E CA 1.487 57.789 56.400 -0.164 0.000 0.830 176 E CB -0.834 28.824 29.700 -0.070 0.000 0.751 176 E HN 0.315 nan 8.360 nan 0.000 0.491 177 S N 0.569 116.252 115.700 -0.029 0.000 2.515 177 S HA 0.114 4.599 4.470 0.025 0.000 0.231 177 S C 2.117 176.685 174.600 -0.053 0.000 0.987 177 S CA 0.430 58.652 58.200 0.037 0.000 0.936 177 S CB 0.096 63.422 63.200 0.210 0.000 0.766 177 S HN 0.431 nan 8.310 nan 0.000 0.528 178 A N 1.788 124.499 122.820 -0.182 0.000 1.908 178 A HA -0.179 4.155 4.320 0.025 0.000 0.218 178 A C 2.077 179.614 177.584 -0.078 0.000 1.181 178 A CA 1.765 53.640 52.037 -0.269 0.000 0.627 178 A CB -1.377 17.255 19.000 -0.612 0.000 0.818 178 A HN 0.811 nan 8.150 nan 0.000 0.445 179 H N -1.518 117.423 119.070 -0.216 0.000 2.290 179 H HA -0.197 4.374 4.556 0.025 0.000 0.298 179 H C 2.362 177.602 175.328 -0.147 0.000 1.087 179 H CA 1.681 57.629 56.048 -0.167 0.000 1.291 179 H CB 0.144 29.779 29.762 -0.211 0.000 1.369 179 H HN 0.533 nan 8.280 nan 0.000 0.492 180 Q N 0.517 120.168 119.800 -0.247 0.000 2.172 180 Q HA -0.067 4.288 4.340 0.025 0.000 0.200 180 Q C 2.284 178.110 176.000 -0.290 0.000 0.964 180 Q CA 1.260 56.768 55.803 -0.491 0.000 0.855 180 Q CB -0.182 27.909 28.738 -1.079 0.000 0.918 180 Q HN 0.351 nan 8.270 nan 0.000 0.444 181 V N 0.173 119.993 119.914 -0.156 0.000 2.407 181 V HA -0.268 3.867 4.120 0.025 0.000 0.248 181 V C 2.093 178.378 176.094 0.317 0.000 1.055 181 V CA 2.155 64.417 62.300 -0.064 0.000 1.049 181 V CB -0.978 30.659 31.823 -0.309 0.000 0.662 181 V HN 0.449 nan 8.190 nan 0.000 0.455 182 T N -0.924 113.908 114.554 0.463 0.000 2.684 182 T HA -0.262 4.103 4.350 0.025 0.000 0.267 182 T C 1.772 176.807 174.700 0.557 0.000 1.036 182 T CA 2.201 64.701 62.100 0.667 0.000 1.148 182 T CB -0.400 68.752 68.868 0.473 0.000 0.863 182 T HN 0.557 nan 8.240 nan 0.000 0.436 183 Y N 1.430 121.864 120.300 0.223 0.000 2.181 183 Y HA -0.065 4.499 4.550 0.025 0.000 0.288 183 Y C 2.144 178.165 175.900 0.202 0.000 1.146 183 Y CA 0.839 59.048 58.100 0.180 0.000 1.164 183 Y CB -0.471 37.980 38.460 -0.015 0.000 0.982 183 Y HN 0.105 nan 8.280 nan 0.000 0.515 184 L N -0.377 121.072 121.223 0.377 0.000 2.083 184 L HA -0.194 4.161 4.340 0.025 0.000 0.209 184 L C 1.814 178.845 176.870 0.268 0.000 1.083 184 L CA 1.786 56.817 54.840 0.318 0.000 0.752 184 L CB -0.536 41.700 42.059 0.296 0.000 0.899 184 L HN 0.223 nan 8.230 nan 0.000 0.433 185 M N -0.583 119.199 119.600 0.303 0.000 2.595 185 M HA 0.210 4.704 4.480 0.025 0.000 0.248 185 M C 1.223 177.683 176.300 0.268 0.000 1.119 185 M CA 0.562 55.989 55.300 0.212 0.000 1.079 185 M CB -1.429 31.214 32.600 0.070 0.000 1.472 185 M HN 0.307 nan 8.290 nan 0.000 0.501 186 G N 1.046 110.075 108.800 0.381 0.000 2.508 186 G HA2 0.253 4.228 3.960 0.025 0.000 0.278 186 G HA3 0.253 4.228 3.960 0.025 0.000 0.278 186 G C -1.818 173.067 174.900 -0.026 0.000 1.389 186 G CA -0.731 44.474 45.100 0.176 0.000 1.050 186 G HN 0.097 nan 8.290 nan 0.000 0.522 187 P HA -0.070 nan 4.420 nan 0.000 0.216 187 P C 1.584 178.862 177.300 -0.037 0.000 1.150 187 P CA 1.034 64.064 63.100 -0.116 0.000 0.837 187 P CB 0.110 31.706 31.700 -0.172 0.000 0.786 188 R N -0.777 119.674 120.500 -0.081 0.000 2.323 188 R HA 0.111 4.466 4.340 0.025 0.000 0.198 188 R C 2.222 178.593 176.300 0.118 0.000 0.988 188 R CA 0.640 56.732 56.100 -0.014 0.000 1.041 188 R CB -0.832 29.361 30.300 -0.178 0.000 0.926 188 R HN 0.223 nan 8.270 nan 0.000 0.476 189 G N 0.550 109.427 108.800 0.129 0.000 2.559 189 G HA2 -0.103 3.872 3.960 0.025 0.000 0.216 189 G HA3 -0.103 3.872 3.960 0.025 0.000 0.216 189 G C 0.667 175.701 174.900 0.223 0.000 1.126 189 G CA 0.334 45.560 45.100 0.209 0.000 0.778 189 G HN 0.160 nan 8.290 nan 0.000 0.543 190 L N 1.737 123.074 121.223 0.189 0.000 2.488 190 L HA 0.288 4.643 4.340 0.025 0.000 0.250 190 L C -2.465 174.535 176.870 0.216 0.000 1.280 190 L CA -1.869 53.096 54.840 0.209 0.000 0.929 190 L CB 2.256 44.409 42.059 0.156 0.000 1.200 190 L HN -0.134 nan 8.230 nan 0.000 0.495 191 P HA 0.028 nan 4.420 nan 0.000 0.266 191 P C 0.404 177.852 177.300 0.247 0.000 1.195 191 P CA -0.056 63.175 63.100 0.219 0.000 0.768 191 P CB 1.149 32.969 31.700 0.199 0.000 0.838 192 R N 2.211 122.844 120.500 0.221 0.000 2.066 192 R HA -0.046 4.309 4.340 0.025 0.000 0.232 192 R C 0.649 177.130 176.300 0.302 0.000 1.131 192 R CA 1.731 57.996 56.100 0.275 0.000 0.955 192 R CB -0.122 30.309 30.300 0.219 0.000 0.851 192 R HN 0.695 nan 8.270 nan 0.000 0.432 193 T N -4.813 109.758 114.554 0.029 0.000 2.841 193 T HA 0.197 4.562 4.350 0.025 0.000 0.296 193 T C 0.209 174.729 174.700 -0.300 0.000 1.166 193 T CA -0.992 60.948 62.100 -0.266 0.000 1.007 193 T CB 0.693 69.484 68.868 -0.128 0.000 1.253 193 T HN 0.163 nan 8.240 nan 0.000 0.511 194 W N 0.858 121.873 121.300 -0.475 0.000 2.465 194 W HA 0.095 4.770 4.660 0.025 0.000 0.268 194 W C 2.174 178.593 176.519 -0.165 0.000 1.242 194 W CA 0.151 57.188 57.345 -0.514 0.000 1.248 194 W CB -0.802 27.951 29.460 -1.179 0.000 1.118 194 W HN 0.743 nan 8.180 nan 0.000 0.587 195 R N 0.313 120.896 120.500 0.138 0.000 2.189 195 R HA -0.083 4.272 4.340 0.025 0.000 0.223 195 R C 0.559 176.917 176.300 0.097 0.000 1.092 195 R CA 0.893 57.088 56.100 0.158 0.000 0.989 195 R CB -0.258 30.066 30.300 0.040 0.000 0.876 195 R HN 0.200 nan 8.270 nan 0.000 0.457 196 E N 1.030 121.321 120.200 0.153 0.000 2.939 196 E HA 0.166 4.530 4.350 0.025 0.000 0.215 196 E C -0.339 176.394 176.600 0.222 0.000 1.025 196 E CA -0.225 56.286 56.400 0.185 0.000 1.259 196 E CB 0.627 30.471 29.700 0.239 0.000 1.228 196 E HN 0.214 nan 8.360 nan 0.000 0.443 197 M N -1.687 118.102 119.600 0.315 0.000 2.531 197 M HA 0.551 5.046 4.480 0.025 0.000 0.286 197 M C -1.318 175.273 176.300 0.485 0.000 1.232 197 M CA -1.095 54.420 55.300 0.359 0.000 0.877 197 M CB 1.837 34.658 32.600 0.369 0.000 1.726 197 M HN -0.302 nan 8.290 nan 0.000 0.463 198 N N 0.428 119.341 118.700 0.355 0.000 2.476 198 N HA 0.777 5.532 4.740 0.025 0.000 0.275 198 N C -0.612 174.816 175.510 -0.137 0.000 1.190 198 N CA -0.092 53.076 53.050 0.197 0.000 0.977 198 N CB 1.778 40.309 38.487 0.074 0.000 1.200 198 N HN 0.896 nan 8.380 nan 0.000 0.515 199 G N -0.247 108.124 108.800 -0.715 0.000 2.482 199 G HA2 0.664 4.639 3.960 0.025 0.000 0.317 199 G HA3 0.664 4.639 3.960 0.025 0.000 0.317 199 G C -1.677 172.666 174.900 -0.929 0.000 1.241 199 G CA -0.252 44.050 45.100 -1.329 0.000 0.967 199 G HN 0.394 nan 8.290 nan 0.000 0.482 200 Y N -0.612 119.546 120.300 -0.236 0.000 2.534 200 Y HA 0.484 5.049 4.550 0.024 0.000 0.345 200 Y C 1.203 177.107 175.900 0.007 0.000 1.031 200 Y CA -0.327 57.736 58.100 -0.062 0.000 1.022 200 Y CB 2.514 40.903 38.460 -0.118 0.000 1.292 200 Y HN 0.633 nan 8.280 nan 0.000 0.459 201 G N 0.009 108.964 108.800 0.258 0.000 2.448 201 G HA2 0.080 4.054 3.960 0.025 0.000 0.218 201 G HA3 0.080 4.054 3.960 0.025 0.000 0.218 201 G C 0.844 175.885 174.900 0.234 0.000 1.135 201 G CA 0.973 46.267 45.100 0.323 0.000 0.784 201 G HN 0.745 nan 8.290 nan 0.000 0.543 202 S N -0.931 114.818 115.700 0.082 0.000 1.577 202 S HA -0.244 4.241 4.470 0.025 0.000 0.240 202 S C 0.830 175.350 174.600 -0.134 0.000 0.755 202 S CA 1.309 59.435 58.200 -0.123 0.000 1.398 202 S CB -1.339 61.706 63.200 -0.258 0.000 1.552 202 S HN 0.695 nan 8.310 nan 0.000 0.510 203 H N 2.477 121.540 119.070 -0.012 0.000 2.679 203 H HA 0.294 4.864 4.556 0.024 0.000 0.369 203 H C 0.464 175.718 175.328 -0.122 0.000 1.178 203 H CA 0.877 56.835 56.048 -0.149 0.000 1.419 203 H CB 0.065 29.588 29.762 -0.400 0.000 1.458 203 H HN 0.385 nan 8.280 nan 0.000 0.605 204 T N 3.004 117.544 114.554 -0.023 0.000 2.870 204 T HA 0.171 4.536 4.350 0.025 0.000 0.300 204 T C -0.120 174.549 174.700 -0.053 0.000 0.989 204 T CA 0.162 62.255 62.100 -0.013 0.000 1.139 204 T CB -0.162 68.660 68.868 -0.077 0.000 0.920 204 T HN 0.289 nan 8.240 nan 0.000 0.537 205 Y N 1.224 121.641 120.300 0.195 0.000 2.621 205 Y HA 0.621 5.185 4.550 0.024 0.000 0.334 205 Y C -0.071 176.037 175.900 0.346 0.000 1.074 205 Y CA -1.377 56.893 58.100 0.284 0.000 1.149 205 Y CB 1.148 39.818 38.460 0.349 0.000 1.302 205 Y HN 0.386 nan 8.280 nan 0.000 0.501 206 L N 1.533 123.096 121.223 0.567 0.000 2.295 206 L HA 0.456 4.810 4.340 0.025 0.000 0.285 206 L C -1.768 175.394 176.870 0.486 0.000 1.035 206 L CA -0.697 54.376 54.840 0.389 0.000 0.806 206 L CB 0.357 42.609 42.059 0.321 0.000 1.214 206 L HN 0.484 nan 8.230 nan 0.000 0.426 207 W N 4.818 126.154 121.300 0.060 0.000 2.573 207 W HA 0.680 5.355 4.660 0.024 0.000 0.326 207 W C -0.996 175.539 176.519 0.027 0.000 1.049 207 W CA -0.945 56.431 57.345 0.050 0.000 1.220 207 W CB 1.891 31.376 29.460 0.042 0.000 1.373 207 W HN 0.184 nan 8.180 nan 0.000 0.507 208 V N 4.839 124.845 119.914 0.153 0.000 2.531 208 V HA 0.303 4.438 4.120 0.025 0.000 0.301 208 V C 0.139 176.245 176.094 0.020 0.000 1.034 208 V CA -1.044 61.289 62.300 0.056 0.000 0.865 208 V CB 1.294 33.118 31.823 0.002 0.000 0.995 208 V HN 0.567 nan 8.190 nan 0.000 0.424 209 N N 4.154 122.877 118.700 0.037 0.000 2.448 209 N HA 0.465 5.220 4.740 0.025 0.000 0.274 209 N C 1.072 176.566 175.510 -0.027 0.000 1.239 209 N CA -0.088 52.965 53.050 0.005 0.000 0.982 209 N CB 1.237 39.742 38.487 0.031 0.000 1.199 209 N HN 0.550 nan 8.380 nan 0.000 0.576 210 A N -0.785 122.013 122.820 -0.036 0.000 2.019 210 A HA -0.142 4.193 4.320 0.025 0.000 0.219 210 A C 1.615 179.177 177.584 -0.036 0.000 1.164 210 A CA 1.284 53.297 52.037 -0.041 0.000 0.644 210 A CB -0.659 18.315 19.000 -0.042 0.000 0.805 210 A HN 0.706 nan 8.150 nan 0.000 0.449 211 Q N -1.599 118.182 119.800 -0.031 0.000 2.403 211 Q HA 0.332 4.686 4.340 0.025 0.000 0.203 211 Q C 1.189 177.166 176.000 -0.039 0.000 0.932 211 Q CA 0.793 56.577 55.803 -0.032 0.000 0.945 211 Q CB 0.222 28.944 28.738 -0.026 0.000 1.045 211 Q HN 0.877 nan 8.270 nan 0.000 0.511 212 G N 0.100 108.874 108.800 -0.043 0.000 2.175 212 G HA2 -0.282 3.693 3.960 0.025 0.000 0.244 212 G HA3 -0.282 3.693 3.960 0.025 0.000 0.244 212 G C -0.321 174.527 174.900 -0.088 0.000 0.982 212 G CA -0.121 44.942 45.100 -0.062 0.000 0.641 212 G HN 0.371 nan 8.290 nan 0.000 0.527 213 E N 0.618 120.783 120.200 -0.059 0.000 2.354 213 E HA 0.491 4.856 4.350 0.025 0.000 0.269 213 E C 0.190 176.748 176.600 -0.070 0.000 1.036 213 E CA 0.125 56.478 56.400 -0.078 0.000 0.876 213 E CB 0.745 30.438 29.700 -0.012 0.000 1.009 213 E HN 0.333 nan 8.360 nan 0.000 0.416 214 K N 1.943 122.215 120.400 -0.214 0.000 2.207 214 K HA 0.456 4.791 4.320 0.025 0.000 0.255 214 K C -1.092 175.319 176.600 -0.315 0.000 0.941 214 K CA -0.682 55.459 56.287 -0.243 0.000 0.825 214 K CB 1.305 33.489 32.500 -0.526 0.000 1.119 214 K HN 0.434 nan 8.250 nan 0.000 0.430 215 H N -0.086 118.918 119.070 -0.110 0.000 2.717 215 H HA 0.311 4.881 4.556 0.024 0.000 0.366 215 H C -1.303 173.890 175.328 -0.225 0.000 1.132 215 H CA -0.554 55.422 56.048 -0.120 0.000 1.180 215 H CB 1.000 30.785 29.762 0.037 0.000 1.678 215 H HN 0.460 nan 8.280 nan 0.000 0.537 216 W N 3.118 124.479 121.300 0.102 0.000 2.316 216 W HA 0.472 5.146 4.660 0.024 0.000 0.311 216 W C -0.299 176.098 176.519 -0.203 0.000 1.217 216 W CA -0.739 56.595 57.345 -0.019 0.000 1.199 216 W CB 0.956 30.373 29.460 -0.070 0.000 1.202 216 W HN 0.383 nan 8.180 nan 0.000 0.528 217 V N 0.732 120.607 119.914 -0.066 0.000 2.823 217 V HA 0.643 4.778 4.120 0.025 0.000 0.312 217 V C -0.662 175.237 176.094 -0.325 0.000 1.072 217 V CA -1.551 60.486 62.300 -0.439 0.000 0.937 217 V CB 1.912 33.059 31.823 -1.127 0.000 1.013 217 V HN 0.386 nan 8.190 nan 0.000 0.430 218 K N 2.856 123.051 120.400 -0.343 0.000 2.259 218 K HA 0.560 4.895 4.320 0.025 0.000 0.252 218 K C -1.611 174.814 176.600 -0.291 0.000 0.936 218 K CA -0.277 55.888 56.287 -0.204 0.000 0.810 218 K CB 2.272 34.733 32.500 -0.065 0.000 1.143 218 K HN 0.853 nan 8.250 nan 0.000 0.427 219 Y N 1.511 121.721 120.300 -0.150 0.000 2.342 219 Y HA 0.291 4.856 4.550 0.025 0.000 0.334 219 Y C 0.494 176.203 175.900 -0.319 0.000 1.067 219 Y CA -0.459 57.536 58.100 -0.175 0.000 1.128 219 Y CB 1.390 39.823 38.460 -0.045 0.000 1.200 219 Y HN 0.372 nan 8.280 nan 0.000 0.464 220 H N 4.243 123.326 119.070 0.022 0.000 2.744 220 H HA 0.280 4.852 4.556 0.025 0.000 0.339 220 H C -1.610 173.611 175.328 -0.178 0.000 1.004 220 H CA -0.855 55.184 56.048 -0.016 0.000 1.257 220 H CB 1.445 31.271 29.762 0.106 0.000 1.552 220 H HN 0.554 nan 8.280 nan 0.000 0.522 221 F N 3.661 123.548 119.950 -0.105 0.000 2.332 221 F HA 0.245 4.787 4.527 0.025 0.000 0.368 221 F C 0.198 176.087 175.800 0.148 0.000 1.110 221 F CA -0.703 57.327 58.000 0.050 0.000 1.087 221 F CB 0.911 39.796 39.000 -0.191 0.000 1.235 221 F HN 0.333 nan 8.300 nan 0.000 0.470 222 I N 2.523 123.361 120.570 0.447 0.000 2.304 222 I HA 0.113 4.298 4.170 0.025 0.000 0.291 222 I C 0.570 176.885 176.117 0.331 0.000 1.018 222 I CA -0.405 61.100 61.300 0.342 0.000 1.260 222 I CB 1.086 39.257 38.000 0.284 0.000 1.390 222 I HN 0.414 nan 8.210 nan 0.000 0.475 223 S N 5.328 121.152 115.700 0.206 0.000 2.537 223 S HA 0.020 4.505 4.470 0.025 0.000 0.286 223 S C 1.164 175.687 174.600 -0.128 0.000 1.299 223 S CA 0.001 58.065 58.200 -0.227 0.000 1.067 223 S CB 0.404 63.509 63.200 -0.160 0.000 0.864 223 S HN 0.591 nan 8.310 nan 0.000 0.494 224 Q N 2.797 122.473 119.800 -0.207 0.000 2.435 224 Q HA -0.050 4.304 4.340 0.025 0.000 0.207 224 Q C 1.120 177.074 176.000 -0.076 0.000 0.956 224 Q CA 0.781 56.535 55.803 -0.081 0.000 0.917 224 Q CB 0.046 28.752 28.738 -0.054 0.000 0.997 224 Q HN 0.722 nan 8.270 nan 0.000 0.497 225 Q N -0.483 119.236 119.800 -0.134 0.000 2.360 225 Q HA 0.183 4.538 4.340 0.025 0.000 0.202 225 Q C 0.440 176.502 176.000 0.103 0.000 0.915 225 Q CA 0.516 56.297 55.803 -0.036 0.000 0.943 225 Q CB 0.919 29.608 28.738 -0.083 0.000 1.064 225 Q HN 0.364 nan 8.270 nan 0.000 0.511 226 G N -0.616 108.216 108.800 0.054 0.000 2.795 226 G HA2 -0.190 3.785 3.960 0.025 0.000 0.664 226 G HA3 -0.190 3.785 3.960 0.025 0.000 0.664 226 G C -0.876 174.012 174.900 -0.021 0.000 1.381 226 G CA -0.611 44.502 45.100 0.022 0.000 0.853 226 G HN 0.061 nan 8.290 nan 0.000 0.545 227 V N 3.083 122.876 119.914 -0.202 0.000 2.350 227 V HA 0.590 4.724 4.120 0.025 0.000 0.276 227 V C 0.045 175.891 176.094 -0.414 0.000 1.028 227 V CA -0.435 61.783 62.300 -0.136 0.000 0.860 227 V CB 1.166 32.971 31.823 -0.030 0.000 0.990 227 V HN 0.775 nan 8.190 nan 0.000 0.453 228 H N 3.987 123.103 119.070 0.077 0.000 2.679 228 H HA 0.559 5.130 4.556 0.024 0.000 0.360 228 H C -0.916 174.461 175.328 0.080 0.000 1.105 228 H CA -0.727 55.360 56.048 0.065 0.000 1.196 228 H CB 2.533 32.329 29.762 0.057 0.000 1.636 228 H HN 0.575 nan 8.280 nan 0.000 0.531 229 N N 1.805 120.606 118.700 0.168 0.000 2.405 229 N HA 0.418 5.173 4.740 0.025 0.000 0.285 229 N C -0.538 175.040 175.510 0.115 0.000 1.262 229 N CA -0.686 52.443 53.050 0.131 0.000 0.773 229 N CB 2.623 41.157 38.487 0.078 0.000 1.490 229 N HN 0.334 nan 8.380 nan 0.000 0.486 230 L N 0.587 121.874 121.223 0.106 0.000 2.344 230 L HA 0.444 4.798 4.340 0.025 0.000 0.272 230 L C 1.057 177.956 176.870 0.049 0.000 1.035 230 L CA -0.757 54.126 54.840 0.071 0.000 0.807 230 L CB 1.461 43.560 42.059 0.066 0.000 1.237 230 L HN 0.627 nan 8.230 nan 0.000 0.442 231 S N 0.015 115.731 115.700 0.026 0.000 2.614 231 S HA 0.163 4.648 4.470 0.025 0.000 0.265 231 S C 0.810 175.421 174.600 0.019 0.000 1.303 231 S CA -0.714 57.496 58.200 0.016 0.000 1.000 231 S CB 0.818 64.020 63.200 0.003 0.000 0.935 231 S HN 0.612 nan 8.310 nan 0.000 0.551 232 N N 1.561 120.270 118.700 0.016 0.000 2.061 232 N HA -0.147 4.607 4.740 0.025 0.000 0.193 232 N C 1.024 176.539 175.510 0.010 0.000 1.030 232 N CA 1.766 54.828 53.050 0.019 0.000 0.856 232 N CB -0.708 37.785 38.487 0.009 0.000 1.023 232 N HN 0.671 nan 8.380 nan 0.000 0.424 233 D N 1.052 121.452 120.400 -0.001 0.000 2.117 233 D HA -0.099 4.555 4.640 0.025 0.000 0.197 233 D C 1.813 178.102 176.300 -0.017 0.000 0.987 233 D CA 0.870 54.865 54.000 -0.008 0.000 0.829 233 D CB -0.202 40.592 40.800 -0.010 0.000 0.961 233 D HN 0.449 nan 8.370 nan 0.000 0.460 234 E N 0.621 120.808 120.200 -0.022 0.000 2.051 234 E HA -0.102 4.262 4.350 0.025 0.000 0.192 234 E C 2.107 178.667 176.600 -0.067 0.000 0.991 234 E CA 1.023 57.395 56.400 -0.047 0.000 0.799 234 E CB -0.055 29.619 29.700 -0.044 0.000 0.748 234 E HN 0.184 nan 8.360 nan 0.000 0.449 235 A N 0.803 123.604 122.820 -0.031 0.000 1.933 235 A HA -0.163 4.172 4.320 0.025 0.000 0.218 235 A C 2.339 179.923 177.584 -0.001 0.000 1.175 235 A CA 1.735 53.758 52.037 -0.023 0.000 0.628 235 A CB -0.772 18.255 19.000 0.044 0.000 0.814 235 A HN 0.166 nan 8.150 nan 0.000 0.444 236 T N -0.407 114.156 114.554 0.015 0.000 2.746 236 T HA -0.143 4.222 4.350 0.025 0.000 0.267 236 T C 1.987 176.688 174.700 0.002 0.000 1.039 236 T CA 1.702 63.820 62.100 0.031 0.000 1.142 236 T CB -0.159 68.720 68.868 0.018 0.000 0.866 236 T HN 0.611 nan 8.240 nan 0.000 0.444 237 K N 0.672 121.053 120.400 -0.030 0.000 2.026 237 K HA -0.029 4.306 4.320 0.025 0.000 0.208 237 K C 2.197 178.748 176.600 -0.081 0.000 1.048 237 K CA 1.280 57.538 56.287 -0.049 0.000 0.929 237 K CB -0.290 32.175 32.500 -0.059 0.000 0.713 237 K HN 0.306 nan 8.250 nan 0.000 0.439 238 I N 0.881 121.367 120.570 -0.141 0.000 2.315 238 I HA -0.229 3.955 4.170 0.025 0.000 0.248 238 I C 2.423 178.457 176.117 -0.139 0.000 1.117 238 I CA 0.982 62.146 61.300 -0.227 0.000 1.404 238 I CB -0.352 37.370 38.000 -0.463 0.000 1.071 238 I HN 0.249 nan 8.210 nan 0.000 0.419 239 A N 0.976 123.755 122.820 -0.067 0.000 1.940 239 A HA -0.157 4.178 4.320 0.025 0.000 0.219 239 A C 2.414 179.994 177.584 -0.007 0.000 1.176 239 A CA 2.066 54.095 52.037 -0.014 0.000 0.631 239 A CB -1.306 17.764 19.000 0.116 0.000 0.814 239 A HN 0.474 nan 8.150 nan 0.000 0.446 240 G N -0.859 107.940 108.800 -0.002 0.000 2.396 240 G HA2 -0.092 3.883 3.960 0.025 0.000 0.214 240 G HA3 -0.092 3.883 3.960 0.025 0.000 0.214 240 G C 1.437 176.327 174.900 -0.017 0.000 1.166 240 G CA 0.792 45.892 45.100 0.001 0.000 0.793 240 G HN 0.630 nan 8.290 nan 0.000 0.533 241 E N -0.399 119.780 120.200 -0.035 0.000 2.158 241 E HA -0.017 4.347 4.350 0.025 0.000 0.191 241 E C 0.247 176.834 176.600 -0.022 0.000 0.982 241 E CA 0.477 56.858 56.400 -0.032 0.000 0.823 241 E CB 0.207 29.878 29.700 -0.048 0.000 0.766 241 E HN 0.275 nan 8.360 nan 0.000 0.468 242 N N -1.074 117.607 118.700 -0.031 0.000 2.793 242 N HA 0.147 4.902 4.740 0.025 0.000 0.251 242 N C -0.503 174.994 175.510 -0.021 0.000 1.308 242 N CA 0.053 53.104 53.050 0.000 0.000 0.781 242 N CB 1.002 39.536 38.487 0.078 0.000 1.439 242 N HN -0.014 nan 8.380 nan 0.000 0.562 243 A N 1.389 124.182 122.820 -0.045 0.000 2.125 243 A HA -0.032 4.302 4.320 0.025 0.000 0.219 243 A C 0.499 178.029 177.584 -0.089 0.000 1.156 243 A CA 1.111 53.096 52.037 -0.088 0.000 0.671 243 A CB 0.084 19.026 19.000 -0.096 0.000 0.794 243 A HN 0.529 nan 8.150 nan 0.000 0.459 244 D N -1.861 118.510 120.400 -0.048 0.000 2.670 244 D HA 0.180 4.834 4.640 0.025 0.000 0.255 244 D C 0.677 176.947 176.300 -0.050 0.000 1.286 244 D CA -0.427 53.542 54.000 -0.051 0.000 0.830 244 D CB -0.258 40.513 40.800 -0.049 0.000 1.065 244 D HN 0.429 nan 8.370 nan 0.000 0.486 245 F N 1.029 120.848 119.950 -0.218 0.000 2.091 245 F HA -0.257 4.284 4.527 0.024 0.000 0.299 245 F C 2.010 177.672 175.800 -0.230 0.000 1.103 245 F CA 1.931 59.799 58.000 -0.220 0.000 1.228 245 F CB 0.148 38.987 39.000 -0.268 0.000 0.984 245 F HN 0.172 nan 8.300 nan 0.000 0.477 246 H N -1.177 117.636 119.070 -0.428 0.000 2.363 246 H HA -0.096 4.474 4.556 0.024 0.000 0.301 246 H C 2.392 177.156 175.328 -0.940 0.000 1.074 246 H CA 0.904 56.365 56.048 -0.978 0.000 1.354 246 H CB -0.162 28.658 29.762 -1.571 0.000 1.397 246 H HN 0.185 nan 8.280 nan 0.000 0.516 247 R N 1.267 121.537 120.500 -0.384 0.000 2.091 247 R HA -0.204 4.151 4.340 0.025 0.000 0.238 247 R C 2.382 178.696 176.300 0.023 0.000 1.136 247 R CA 1.888 57.998 56.100 0.017 0.000 0.959 247 R CB -0.095 30.278 30.300 0.121 0.000 0.856 247 R HN 0.387 nan 8.270 nan 0.000 0.437 248 Q N 0.326 120.072 119.800 -0.091 0.000 2.050 248 Q HA -0.227 4.128 4.340 0.025 0.000 0.202 248 Q C 1.590 177.544 176.000 -0.077 0.000 0.980 248 Q CA 2.247 58.008 55.803 -0.070 0.000 0.840 248 Q CB -0.174 28.501 28.738 -0.104 0.000 0.898 248 Q HN 0.430 nan 8.270 nan 0.000 0.424 249 D N -0.352 119.887 120.400 -0.267 0.000 2.133 249 D HA -0.224 4.431 4.640 0.025 0.000 0.195 249 D C 1.908 178.172 176.300 -0.059 0.000 0.997 249 D CA 1.327 55.171 54.000 -0.259 0.000 0.840 249 D CB -0.128 40.380 40.800 -0.487 0.000 0.947 249 D HN 0.300 nan 8.370 nan 0.000 0.452 250 L N -0.728 120.510 121.223 0.025 0.000 2.027 250 L HA -0.001 4.354 4.340 0.025 0.000 0.206 250 L C 1.989 178.989 176.870 0.217 0.000 1.074 250 L CA 1.528 56.480 54.840 0.186 0.000 0.745 250 L CB -0.886 41.412 42.059 0.399 0.000 0.898 250 L HN 0.150 nan 8.230 nan 0.000 0.433 251 F N 0.560 120.574 119.950 0.106 0.000 2.102 251 F HA -0.191 4.350 4.527 0.024 0.000 0.298 251 F C 2.396 178.240 175.800 0.072 0.000 1.105 251 F CA 1.970 60.033 58.000 0.104 0.000 1.239 251 F CB -0.148 38.909 39.000 0.094 0.000 0.991 251 F HN 0.208 nan 8.300 nan 0.000 0.474 252 E N -0.672 119.702 120.200 0.290 0.000 2.072 252 E HA -0.176 4.189 4.350 0.025 0.000 0.191 252 E C 2.359 179.009 176.600 0.084 0.000 0.985 252 E CA 1.393 57.898 56.400 0.175 0.000 0.801 252 E CB -0.279 29.481 29.700 0.100 0.000 0.750 252 E HN 0.303 nan 8.360 nan 0.000 0.452 253 S N 0.915 116.653 115.700 0.065 0.000 2.359 253 S HA -0.147 4.338 4.470 0.025 0.000 0.224 253 S C 2.047 176.689 174.600 0.068 0.000 1.035 253 S CA 0.915 59.145 58.200 0.050 0.000 1.018 253 S CB -0.172 63.059 63.200 0.052 0.000 0.876 253 S HN 0.199 nan 8.310 nan 0.000 0.448 254 I N 1.477 122.093 120.570 0.077 0.000 2.315 254 I HA -0.175 4.010 4.170 0.025 0.000 0.248 254 I C 2.627 178.774 176.117 0.050 0.000 1.117 254 I CA 0.983 62.348 61.300 0.109 0.000 1.404 254 I CB -0.430 37.591 38.000 0.034 0.000 1.071 254 I HN 0.261 nan 8.210 nan 0.000 0.419 255 A N 0.700 123.497 122.820 -0.039 0.000 1.972 255 A HA -0.201 4.133 4.320 0.025 0.000 0.219 255 A C 2.176 179.774 177.584 0.023 0.000 1.169 255 A CA 1.507 53.529 52.037 -0.025 0.000 0.635 255 A CB -0.383 18.624 19.000 0.012 0.000 0.810 255 A HN 0.345 nan 8.150 nan 0.000 0.446 256 K N -1.543 118.871 120.400 0.024 0.000 2.487 256 K HA 0.215 4.549 4.320 0.025 0.000 0.192 256 K C 0.994 177.575 176.600 -0.031 0.000 1.027 256 K CA 0.468 56.759 56.287 0.006 0.000 1.054 256 K CB -0.025 32.479 32.500 0.006 0.000 0.824 256 K HN 0.662 nan 8.250 nan 0.000 0.510 257 G N 2.213 110.987 108.800 -0.044 0.000 2.141 257 G HA2 -0.220 3.754 3.960 0.025 0.000 0.242 257 G HA3 -0.220 3.754 3.960 0.025 0.000 0.242 257 G C -0.394 174.260 174.900 -0.410 0.000 0.982 257 G CA 0.079 45.046 45.100 -0.221 0.000 0.662 257 G HN 0.351 nan 8.290 nan 0.000 0.527 258 D N 1.053 121.352 120.400 -0.167 0.000 2.524 258 D HA 0.318 4.973 4.640 0.025 0.000 0.222 258 D C 0.410 176.730 176.300 0.033 0.000 1.142 258 D CA -0.399 53.542 54.000 -0.098 0.000 0.973 258 D CB -0.637 40.144 40.800 -0.031 0.000 1.025 258 D HN 0.594 nan 8.370 nan 0.000 0.519 259 H N 3.784 122.872 119.070 0.031 0.000 2.864 259 H HA 0.241 4.812 4.556 0.025 0.000 0.281 259 H C -1.654 173.707 175.328 0.055 0.000 1.093 259 H CA -1.872 54.211 56.048 0.058 0.000 1.453 259 H CB 0.699 30.499 29.762 0.063 0.000 1.462 259 H HN 0.280 nan 8.280 nan 0.000 0.480 260 P HA 0.128 nan 4.420 nan 0.000 0.275 260 P C -0.691 176.649 177.300 0.066 0.000 1.228 260 P CA -0.394 62.724 63.100 0.031 0.000 0.786 260 P CB 1.610 33.333 31.700 0.039 0.000 0.927 261 K N 1.652 121.955 120.400 -0.161 0.000 2.385 261 K HA 0.576 4.911 4.320 0.025 0.000 0.248 261 K C -0.910 175.623 176.600 -0.113 0.000 0.955 261 K CA -0.504 55.819 56.287 0.060 0.000 0.816 261 K CB 2.340 34.892 32.500 0.086 0.000 1.250 261 K HN 0.519 nan 8.250 nan 0.000 0.434 262 W N 1.326 122.795 121.300 0.281 0.000 2.998 262 W HA 0.252 4.928 4.660 0.026 0.000 0.335 262 W C -0.929 175.795 176.519 0.342 0.000 1.110 262 W CA -0.676 56.876 57.345 0.346 0.000 1.230 262 W CB 2.133 31.891 29.460 0.496 0.000 1.405 262 W HN 0.444 nan 8.180 nan 0.000 0.493 263 D N 2.602 123.282 120.400 0.466 0.000 2.198 263 D HA 0.277 4.931 4.640 0.025 0.000 0.245 263 D C -0.542 175.907 176.300 0.247 0.000 1.079 263 D CA -0.487 53.686 54.000 0.288 0.000 0.854 263 D CB 2.605 43.496 40.800 0.153 0.000 1.148 263 D HN 0.063 nan 8.370 nan 0.000 0.456 264 L N 3.530 124.823 121.223 0.118 0.000 2.276 264 L HA 0.317 4.671 4.340 0.025 0.000 0.286 264 L C -1.497 175.229 176.870 -0.240 0.000 1.061 264 L CA -0.206 54.563 54.840 -0.118 0.000 0.807 264 L CB 0.199 42.224 42.059 -0.057 0.000 1.177 264 L HN 0.234 nan 8.230 nan 0.000 0.429 265 Y N 5.117 125.378 120.300 -0.064 0.000 2.485 265 Y HA 0.639 5.204 4.550 0.024 0.000 0.345 265 Y C 0.153 176.009 175.900 -0.072 0.000 0.998 265 Y CA -0.902 57.170 58.100 -0.047 0.000 1.059 265 Y CB 1.649 40.085 38.460 -0.039 0.000 1.234 265 Y HN 0.596 nan 8.280 nan 0.000 0.461 266 I N -0.878 119.681 120.570 -0.018 0.000 2.797 266 I HA 0.656 4.841 4.170 0.025 0.000 0.307 266 I C -1.144 174.878 176.117 -0.158 0.000 1.033 266 I CA -1.213 59.964 61.300 -0.205 0.000 1.071 266 I CB 2.017 39.638 38.000 -0.632 0.000 1.255 266 I HN 0.500 nan 8.210 nan 0.000 0.445 267 Q N 2.721 122.420 119.800 -0.169 0.000 2.282 267 Q HA 0.749 5.104 4.340 0.025 0.000 0.260 267 Q C -0.911 174.886 176.000 -0.338 0.000 0.964 267 Q CA -0.999 54.698 55.803 -0.176 0.000 0.880 267 Q CB 2.257 30.959 28.738 -0.060 0.000 1.286 267 Q HN 0.856 nan 8.270 nan 0.000 0.445 268 A N 3.584 126.209 122.820 -0.324 0.000 2.340 268 A HA 0.579 4.914 4.320 0.025 0.000 0.297 268 A C -0.798 176.689 177.584 -0.163 0.000 1.195 268 A CA -0.583 51.234 52.037 -0.367 0.000 0.769 268 A CB 0.433 19.004 19.000 -0.714 0.000 1.163 268 A HN 0.735 nan 8.150 nan 0.000 0.472 269 I N 3.782 124.240 120.570 -0.186 0.000 2.339 269 I HA 0.309 4.494 4.170 0.025 0.000 0.290 269 I C -2.316 173.848 176.117 0.079 0.000 0.994 269 I CA -2.313 58.812 61.300 -0.290 0.000 1.191 269 I CB 2.024 39.679 38.000 -0.574 0.000 1.343 269 I HN 0.371 nan 8.210 nan 0.000 0.458 270 P HA -0.100 nan 4.420 nan 0.000 0.266 270 P C 0.309 177.644 177.300 0.058 0.000 1.195 270 P CA 0.142 63.248 63.100 0.008 0.000 0.768 270 P CB 0.442 32.201 31.700 0.099 0.000 0.838 271 Y N 3.537 123.701 120.300 -0.227 0.000 2.069 271 Y HA -0.320 4.244 4.550 0.024 0.000 0.278 271 Y C 1.945 177.984 175.900 0.231 0.000 1.175 271 Y CA 2.014 60.030 58.100 -0.141 0.000 1.134 271 Y CB -0.319 37.999 38.460 -0.236 0.000 0.965 271 Y HN 0.380 nan 8.280 nan 0.000 0.498 272 E N 0.117 120.408 120.200 0.152 0.000 2.204 272 E HA -0.175 4.190 4.350 0.025 0.000 0.194 272 E C 1.972 178.630 176.600 0.096 0.000 0.989 272 E CA 1.286 57.736 56.400 0.084 0.000 0.824 272 E CB -0.233 29.539 29.700 0.121 0.000 0.756 272 E HN 0.705 nan 8.360 nan 0.000 0.477 273 E N 0.069 120.347 120.200 0.130 0.000 2.347 273 E HA -0.066 4.299 4.350 0.025 0.000 0.196 273 E C 1.994 178.646 176.600 0.087 0.000 1.008 273 E CA 0.580 57.060 56.400 0.132 0.000 0.852 273 E CB -0.088 29.718 29.700 0.176 0.000 0.783 273 E HN 0.244 nan 8.360 nan 0.000 0.505 274 G N 1.573 110.434 108.800 0.103 0.000 2.443 274 G HA2 -0.246 3.729 3.960 0.025 0.000 0.219 274 G HA3 -0.246 3.729 3.960 0.025 0.000 0.219 274 G C 1.406 176.224 174.900 -0.136 0.000 1.131 274 G CA 0.383 45.396 45.100 -0.144 0.000 0.775 274 G HN 0.139 nan 8.290 nan 0.000 0.547 275 K N 0.022 120.430 120.400 0.013 0.000 2.296 275 K HA 0.012 4.347 4.320 0.025 0.000 0.200 275 K C 2.302 178.916 176.600 0.024 0.000 1.048 275 K CA 1.406 57.713 56.287 0.034 0.000 0.966 275 K CB 0.155 32.673 32.500 0.029 0.000 0.754 275 K HN 0.454 nan 8.250 nan 0.000 0.466 276 T N -3.075 111.504 114.554 0.042 0.000 2.985 276 T HA 0.044 4.409 4.350 0.025 0.000 0.254 276 T C 0.371 175.108 174.700 0.062 0.000 1.021 276 T CA -0.506 61.620 62.100 0.043 0.000 0.957 276 T CB -0.265 68.636 68.868 0.056 0.000 1.047 276 T HN 0.013 nan 8.240 nan 0.000 0.511 277 Y N 4.298 124.566 120.300 -0.053 0.000 2.683 277 Y HA 0.138 4.703 4.550 0.024 0.000 0.340 277 Y C 1.916 177.759 175.900 -0.095 0.000 1.245 277 Y CA -0.992 57.084 58.100 -0.041 0.000 1.485 277 Y CB 0.781 39.228 38.460 -0.021 0.000 1.328 277 Y HN 0.179 nan 8.280 nan 0.000 0.603 278 R N 2.367 122.398 120.500 -0.781 0.000 2.237 278 R HA -0.021 4.334 4.340 0.025 0.000 0.219 278 R C -0.755 175.052 176.300 -0.823 0.000 1.080 278 R CA 0.856 56.496 56.100 -0.767 0.000 0.995 278 R CB -0.309 29.487 30.300 -0.840 0.000 0.875 278 R HN 0.316 nan 8.270 nan 0.000 0.462 279 F N 1.143 120.711 119.950 -0.638 0.000 2.508 279 F HA 0.282 4.824 4.527 0.025 0.000 0.325 279 F C 0.139 175.854 175.800 -0.142 0.000 1.090 279 F CA -2.003 55.832 58.000 -0.274 0.000 0.945 279 F CB 1.172 40.078 39.000 -0.155 0.000 1.156 279 F HN -0.139 nan 8.300 nan 0.000 0.463 280 N N 4.270 123.003 118.700 0.055 0.000 2.416 280 N HA 0.169 4.924 4.740 0.025 0.000 0.265 280 N C -1.981 173.399 175.510 -0.216 0.000 1.195 280 N CA -1.968 51.026 53.050 -0.093 0.000 0.943 280 N CB 0.933 39.388 38.487 -0.054 0.000 1.115 280 N HN 0.153 nan 8.380 nan 0.000 0.481 281 P HA 0.005 nan 4.420 nan 0.000 0.230 281 P C 0.164 177.030 177.300 -0.724 0.000 1.158 281 P CA 0.868 63.578 63.100 -0.649 0.000 0.769 281 P CB -0.013 31.107 31.700 -0.968 0.000 0.807 282 F N -0.921 118.875 119.950 -0.257 0.000 2.693 282 F HA 0.208 4.750 4.527 0.024 0.000 0.303 282 F C 0.747 176.460 175.800 -0.146 0.000 1.097 282 F CA -0.869 56.971 58.000 -0.267 0.000 1.330 282 F CB -0.539 38.248 39.000 -0.356 0.000 1.067 282 F HN -0.134 nan 8.300 nan 0.000 0.565 283 D N 1.001 121.383 120.400 -0.030 0.000 2.373 283 D HA 0.104 4.758 4.640 0.025 0.000 0.227 283 D C 0.988 177.268 176.300 -0.033 0.000 1.091 283 D CA -0.207 53.788 54.000 -0.009 0.000 0.840 283 D CB 1.170 41.958 40.800 -0.019 0.000 1.060 283 D HN 0.072 nan 8.370 nan 0.000 0.502 284 L N 3.960 125.182 121.223 -0.002 0.000 2.456 284 L HA -0.035 4.320 4.340 0.025 0.000 0.224 284 L C 1.936 178.759 176.870 -0.078 0.000 1.148 284 L CA 1.681 56.495 54.840 -0.043 0.000 0.825 284 L CB -0.664 41.396 42.059 0.001 0.000 0.937 284 L HN 0.609 nan 8.230 nan 0.000 0.450 285 T N -4.065 110.455 114.554 -0.056 0.000 3.129 285 T HA 0.096 4.461 4.350 0.025 0.000 0.251 285 T C 0.665 175.347 174.700 -0.030 0.000 1.117 285 T CA -0.178 61.876 62.100 -0.077 0.000 1.034 285 T CB -0.153 68.682 68.868 -0.055 0.000 0.968 285 T HN -0.014 nan 8.240 nan 0.000 0.526 286 K N 2.893 123.248 120.400 -0.074 0.000 2.270 286 K HA 0.452 4.787 4.320 0.025 0.000 0.255 286 K C 0.054 176.574 176.600 -0.133 0.000 0.936 286 K CA -0.420 55.806 56.287 -0.103 0.000 0.809 286 K CB 1.893 34.316 32.500 -0.128 0.000 1.131 286 K HN 0.416 nan 8.250 nan 0.000 0.427 287 T N -0.866 113.608 114.554 -0.133 0.000 2.902 287 T HA 0.545 4.910 4.350 0.025 0.000 0.280 287 T C 0.465 175.101 174.700 -0.106 0.000 0.992 287 T CA -0.865 61.169 62.100 -0.112 0.000 1.015 287 T CB 0.824 69.656 68.868 -0.060 0.000 1.044 287 T HN 0.211 nan 8.240 nan 0.000 0.520 288 I N 2.074 122.652 120.570 0.014 0.000 2.354 288 I HA 0.305 4.490 4.170 0.025 0.000 0.292 288 I C 0.855 177.071 176.117 0.166 0.000 0.989 288 I CA -0.709 60.684 61.300 0.154 0.000 1.188 288 I CB 1.228 39.255 38.000 0.044 0.000 1.342 288 I HN 0.902 nan 8.210 nan 0.000 0.457 289 S N 4.962 120.835 115.700 0.289 0.000 2.546 289 S HA 0.016 4.500 4.470 0.025 0.000 0.290 289 S C 1.065 175.737 174.600 0.121 0.000 1.290 289 S CA 0.133 58.449 58.200 0.193 0.000 1.069 289 S CB 0.441 63.801 63.200 0.266 0.000 0.846 289 S HN 0.606 nan 8.310 nan 0.000 0.495 290 Q N 3.086 122.913 119.800 0.045 0.000 2.435 290 Q HA -0.012 4.343 4.340 0.025 0.000 0.207 290 Q C 1.755 177.745 176.000 -0.017 0.000 0.956 290 Q CA 0.870 56.671 55.803 -0.005 0.000 0.917 290 Q CB 0.066 28.767 28.738 -0.061 0.000 0.997 290 Q HN 0.707 nan 8.270 nan 0.000 0.497 291 K N 0.423 120.822 120.400 -0.002 0.000 2.103 291 K HA -0.107 4.228 4.320 0.025 0.000 0.204 291 K C 1.214 177.769 176.600 -0.075 0.000 1.052 291 K CA 1.167 57.439 56.287 -0.026 0.000 0.945 291 K CB 0.181 32.677 32.500 -0.006 0.000 0.722 291 K HN 0.154 nan 8.250 nan 0.000 0.443 292 D N -0.457 119.891 120.400 -0.087 0.000 2.137 292 D HA -0.063 4.592 4.640 0.025 0.000 0.202 292 D C -0.078 175.814 176.300 -0.680 0.000 0.970 292 D CA 1.213 55.017 54.000 -0.326 0.000 0.837 292 D CB 0.226 40.906 40.800 -0.200 0.000 0.981 292 D HN 0.125 nan 8.370 nan 0.000 0.475 293 Y N 0.658 120.920 120.300 -0.063 0.000 2.535 293 Y HA 0.294 4.859 4.550 0.025 0.000 0.341 293 Y C -2.233 173.614 175.900 -0.089 0.000 1.041 293 Y CA -2.415 55.629 58.100 -0.093 0.000 1.307 293 Y CB 1.802 40.169 38.460 -0.155 0.000 1.095 293 Y HN -0.155 nan 8.280 nan 0.000 0.534 294 P HA 0.204 nan 4.420 nan 0.000 0.274 294 P C -0.329 176.946 177.300 -0.042 0.000 1.237 294 P CA -0.465 62.619 63.100 -0.027 0.000 0.793 294 P CB 1.120 32.805 31.700 -0.024 0.000 0.977 295 R N 1.203 121.646 120.500 -0.094 0.000 2.491 295 R HA 0.378 4.733 4.340 0.025 0.000 0.283 295 R C 0.023 176.361 176.300 0.063 0.000 1.072 295 R CA -0.128 55.923 56.100 -0.081 0.000 1.048 295 R CB -0.067 30.075 30.300 -0.263 0.000 0.983 295 R HN 0.480 nan 8.270 nan 0.000 0.450 296 I N 2.718 123.351 120.570 0.105 0.000 2.389 296 I HA 0.212 4.397 4.170 0.025 0.000 0.288 296 I C 0.094 176.284 176.117 0.122 0.000 0.999 296 I CA -0.729 60.632 61.300 0.100 0.000 1.129 296 I CB 1.795 39.774 38.000 -0.035 0.000 1.288 296 I HN 0.395 nan 8.210 nan 0.000 0.444 297 K N 4.281 124.726 120.400 0.075 0.000 2.326 297 K HA 0.280 4.614 4.320 0.025 0.000 0.275 297 K C 0.114 176.641 176.600 -0.123 0.000 1.018 297 K CA -0.098 56.036 56.287 -0.256 0.000 0.962 297 K CB 1.216 33.556 32.500 -0.265 0.000 0.953 297 K HN 0.494 nan 8.250 nan 0.000 0.475 298 V N 2.000 121.833 119.914 -0.134 0.000 2.911 298 V HA 0.344 4.478 4.120 0.025 0.000 0.237 298 V C 0.821 176.975 176.094 0.100 0.000 1.156 298 V CA 0.738 63.059 62.300 0.036 0.000 1.180 298 V CB 0.592 32.454 31.823 0.065 0.000 0.932 298 V HN 1.030 nan 8.190 nan 0.000 0.483 299 G N -0.733 108.118 108.800 0.085 0.000 2.325 299 G HA2 0.469 4.444 3.960 0.025 0.000 0.295 299 G HA3 0.469 4.444 3.960 0.025 0.000 0.295 299 G C -1.438 173.405 174.900 -0.095 0.000 1.274 299 G CA 0.051 45.104 45.100 -0.078 0.000 0.857 299 G HN -0.047 nan 8.290 nan 0.000 0.499 300 T N 0.325 114.656 114.554 -0.372 0.000 2.886 300 T HA 0.564 4.928 4.350 0.025 0.000 0.292 300 T C -1.126 173.554 174.700 -0.034 0.000 1.012 300 T CA -0.323 61.745 62.100 -0.052 0.000 0.982 300 T CB 1.791 70.651 68.868 -0.014 0.000 1.018 300 T HN 0.743 nan 8.240 nan 0.000 0.451 301 L N 3.247 124.731 121.223 0.434 0.000 2.282 301 L HA 0.710 5.064 4.340 0.025 0.000 0.288 301 L C -0.432 176.691 176.870 0.420 0.000 1.033 301 L CA 0.316 55.480 54.840 0.540 0.000 0.807 301 L CB 1.218 43.694 42.059 0.694 0.000 1.209 301 L HN 0.627 nan 8.230 nan 0.000 0.423 302 T N 6.145 120.872 114.554 0.290 0.000 2.824 302 T HA 0.540 4.905 4.350 0.025 0.000 0.282 302 T C -0.458 174.356 174.700 0.191 0.000 0.993 302 T CA -0.400 61.847 62.100 0.246 0.000 0.967 302 T CB 1.117 70.078 68.868 0.155 0.000 0.960 302 T HN 0.442 nan 8.240 nan 0.000 0.441 303 L N 4.198 125.558 121.223 0.228 0.000 2.282 303 L HA 0.486 4.841 4.340 0.025 0.000 0.288 303 L C 0.585 177.432 176.870 -0.039 0.000 1.033 303 L CA -0.644 54.270 54.840 0.123 0.000 0.807 303 L CB 0.797 42.986 42.059 0.217 0.000 1.209 303 L HN 0.765 nan 8.230 nan 0.000 0.423 304 N N 2.016 120.610 118.700 -0.176 0.000 2.081 304 N HA 0.104 4.858 4.740 0.025 0.000 0.230 304 N C -0.170 175.171 175.510 -0.281 0.000 1.351 304 N CA -0.557 52.158 53.050 -0.560 0.000 0.840 304 N CB 0.642 38.699 38.487 -0.715 0.000 1.189 304 N HN 0.528 nan 8.380 nan 0.000 0.503 305 R N 0.387 120.842 120.500 -0.075 0.000 2.510 305 R HA 0.363 4.717 4.340 0.025 0.000 0.287 305 R C -1.445 174.895 176.300 0.067 0.000 1.084 305 R CA -0.492 55.602 56.100 -0.010 0.000 0.934 305 R CB 0.770 31.073 30.300 0.005 0.000 1.201 305 R HN -0.039 nan 8.270 nan 0.000 0.431 306 N N 3.755 122.431 118.700 -0.041 0.000 2.467 306 N HA 0.287 5.042 4.740 0.025 0.000 0.262 306 N C -2.353 173.250 175.510 0.154 0.000 1.234 306 N CA -1.322 51.692 53.050 -0.060 0.000 0.952 306 N CB 0.724 38.879 38.487 -0.553 0.000 1.158 306 N HN 0.435 nan 8.380 nan 0.000 0.463 307 P HA 0.163 nan 4.420 nan 0.000 0.272 307 P C 0.177 177.642 177.300 0.275 0.000 1.223 307 P CA -0.053 63.250 63.100 0.339 0.000 0.784 307 P CB 0.999 32.887 31.700 0.314 0.000 0.923 308 K N 0.527 121.047 120.400 0.200 0.000 2.262 308 K HA 0.056 4.390 4.320 0.025 0.000 0.200 308 K C 0.688 177.394 176.600 0.177 0.000 1.049 308 K CA 0.736 57.117 56.287 0.158 0.000 0.979 308 K CB 0.170 32.717 32.500 0.078 0.000 0.773 308 K HN 0.413 nan 8.250 nan 0.000 0.474 309 N N -0.074 118.740 118.700 0.190 0.000 2.549 309 N HA 0.001 4.755 4.740 0.025 0.000 0.290 309 N C -0.259 175.386 175.510 0.226 0.000 1.122 309 N CA -0.054 53.114 53.050 0.197 0.000 0.885 309 N CB 1.047 39.629 38.487 0.158 0.000 1.455 309 N HN 0.048 nan 8.380 nan 0.000 0.521 310 H N 3.212 122.385 119.070 0.170 0.000 2.353 310 H HA -0.093 4.478 4.556 0.024 0.000 0.300 310 H C 1.443 176.852 175.328 0.135 0.000 1.090 310 H CA 2.153 58.293 56.048 0.153 0.000 1.327 310 H CB 0.101 29.948 29.762 0.141 0.000 1.383 310 H HN 0.580 nan 8.280 nan 0.000 0.508 311 F N 0.544 120.582 119.950 0.146 0.000 2.113 311 F HA -0.057 4.478 4.527 0.014 0.000 0.297 311 F C 2.469 178.269 175.800 0.000 0.000 1.103 311 F CA 1.425 59.467 58.000 0.070 0.000 1.248 311 F CB -0.625 38.433 39.000 0.097 0.000 0.999 311 F HN 0.275 nan 8.300 nan 0.000 0.475 312 A N -0.577 122.339 122.820 0.160 0.000 1.968 312 A HA -0.112 4.222 4.320 0.025 0.000 0.217 312 A C 2.024 179.581 177.584 -0.046 0.000 1.169 312 A CA 1.532 53.607 52.037 0.064 0.000 0.638 312 A CB -0.462 18.620 19.000 0.136 0.000 0.812 312 A HN 0.597 nan 8.150 nan 0.000 0.446 313 Q N -1.441 118.343 119.800 -0.027 0.000 2.396 313 Q HA 0.204 4.559 4.340 0.025 0.000 0.220 313 Q C 1.286 177.200 176.000 -0.143 0.000 0.900 313 Q CA 0.269 56.070 55.803 -0.003 0.000 0.925 313 Q CB 0.373 29.216 28.738 0.174 0.000 1.065 313 Q HN 0.546 nan 8.270 nan 0.000 0.535 314 I N -0.426 119.986 120.570 -0.263 0.000 3.345 314 I HA -0.023 4.162 4.170 0.025 0.000 0.258 314 I C 2.020 177.921 176.117 -0.360 0.000 1.134 314 I CA 0.717 61.805 61.300 -0.353 0.000 1.457 314 I CB -0.752 36.933 38.000 -0.525 0.000 1.425 314 I HN 0.063 nan 8.210 nan 0.000 0.461 315 E N 1.695 121.613 120.200 -0.470 0.000 2.110 315 E HA -0.123 4.242 4.350 0.025 0.000 0.193 315 E C 1.942 178.284 176.600 -0.428 0.000 0.988 315 E CA 1.553 57.708 56.400 -0.408 0.000 0.804 315 E CB 0.029 29.447 29.700 -0.470 0.000 0.745 315 E HN 0.218 nan 8.360 nan 0.000 0.458 316 S N -0.030 115.368 115.700 -0.503 0.000 2.593 316 S HA 0.334 4.819 4.470 0.025 0.000 0.217 316 S C 0.425 174.872 174.600 -0.254 0.000 0.966 316 S CA 0.154 58.129 58.200 -0.374 0.000 0.914 316 S CB 0.221 63.208 63.200 -0.354 0.000 0.776 316 S HN 0.445 nan 8.310 nan 0.000 0.523 317 A N 1.585 124.244 122.820 -0.268 0.000 2.483 317 A HA 0.625 4.960 4.320 0.025 0.000 0.238 317 A C 0.299 177.695 177.584 -0.313 0.000 1.070 317 A CA -0.036 51.792 52.037 -0.349 0.000 0.770 317 A CB 0.115 18.841 19.000 -0.456 0.000 1.008 317 A HN 0.451 nan 8.150 nan 0.000 0.497 318 A N 2.306 124.893 122.820 -0.388 0.000 2.545 318 A HA 0.634 4.969 4.320 0.025 0.000 0.300 318 A C -0.727 176.715 177.584 -0.236 0.000 1.252 318 A CA -0.435 51.482 52.037 -0.199 0.000 0.753 318 A CB 0.071 19.000 19.000 -0.119 0.000 1.144 318 A HN 0.604 nan 8.150 nan 0.000 0.457 319 F N 1.255 121.156 119.950 -0.081 0.000 2.379 319 F HA 0.693 5.234 4.527 0.024 0.000 0.332 319 F C 1.042 176.787 175.800 -0.092 0.000 1.096 319 F CA 0.006 57.926 58.000 -0.133 0.000 1.105 319 F CB 2.034 40.913 39.000 -0.201 0.000 1.189 319 F HN 0.441 nan 8.300 nan 0.000 0.515 320 S N 2.392 118.083 115.700 -0.015 0.000 2.566 320 S HA 0.397 4.882 4.470 0.025 0.000 0.273 320 S C -2.347 172.101 174.600 -0.253 0.000 1.157 320 S CA -1.354 56.734 58.200 -0.186 0.000 0.938 320 S CB 1.728 64.919 63.200 -0.016 0.000 1.087 320 S HN 0.232 nan 8.310 nan 0.000 0.474 321 P HA -0.059 nan 4.420 nan 0.000 0.225 321 P C 1.363 178.642 177.300 -0.035 0.000 1.148 321 P CA 0.983 63.975 63.100 -0.180 0.000 0.779 321 P CB -0.042 31.539 31.700 -0.197 0.000 0.780 322 S N -1.841 113.829 115.700 -0.049 0.000 2.507 322 S HA -0.059 4.426 4.470 0.025 0.000 0.235 322 S C 1.130 175.741 174.600 0.018 0.000 0.988 322 S CA 0.500 58.706 58.200 0.009 0.000 0.944 322 S CB -1.103 62.093 63.200 -0.007 0.000 0.762 322 S HN 0.047 nan 8.310 nan 0.000 0.526 323 N N 3.744 122.444 118.700 0.000 0.000 3.178 323 N HA 0.155 4.910 4.740 0.025 0.000 0.300 323 N C 0.051 175.634 175.510 0.123 0.000 1.242 323 N CA 0.272 53.334 53.050 0.019 0.000 1.192 323 N CB 0.393 38.860 38.487 -0.033 0.000 1.463 323 N HN 0.676 nan 8.380 nan 0.000 0.539 324 T N -2.522 112.119 114.554 0.145 0.000 2.847 324 T HA 0.634 4.999 4.350 0.025 0.000 0.279 324 T C 0.610 175.359 174.700 0.081 0.000 0.984 324 T CA -0.725 61.492 62.100 0.196 0.000 0.988 324 T CB 1.423 70.383 68.868 0.154 0.000 1.040 324 T HN 0.031 nan 8.240 nan 0.000 0.528 325 V N -3.137 116.748 119.914 -0.048 0.000 3.102 325 V HA 0.725 4.860 4.120 0.025 0.000 0.312 325 V C -3.146 172.863 176.094 -0.143 0.000 1.135 325 V CA -3.325 58.907 62.300 -0.114 0.000 1.022 325 V CB 1.085 32.794 31.823 -0.189 0.000 1.056 325 V HN 0.704 nan 8.190 nan 0.000 0.436 326 P HA 0.335 nan 4.420 nan 0.000 0.262 326 P C 0.946 178.146 177.300 -0.166 0.000 1.182 326 P CA 2.021 65.056 63.100 -0.109 0.000 0.761 326 P CB 0.595 32.239 31.700 -0.092 0.000 0.795 327 G N 2.382 111.101 108.800 -0.136 0.000 2.213 327 G HA2 -0.187 3.788 3.960 0.025 0.000 0.226 327 G HA3 -0.187 3.788 3.960 0.025 0.000 0.226 327 G C -0.025 174.761 174.900 -0.190 0.000 0.992 327 G CA -0.319 44.671 45.100 -0.183 0.000 0.632 327 G HN 0.497 nan 8.290 nan 0.000 0.511 328 I N 0.756 121.250 120.570 -0.126 0.000 2.534 328 I HA 0.664 4.849 4.170 0.025 0.000 0.288 328 I C 0.512 176.724 176.117 0.157 0.000 1.077 328 I CA -0.448 60.867 61.300 0.026 0.000 1.051 328 I CB 2.049 39.948 38.000 -0.168 0.000 1.234 328 I HN 0.258 nan 8.210 nan 0.000 0.425 329 G N 5.121 114.110 108.800 0.316 0.000 3.015 329 G HA2 0.770 4.745 3.960 0.025 0.000 0.281 329 G HA3 0.770 4.745 3.960 0.025 0.000 0.281 329 G C -0.583 174.612 174.900 0.492 0.000 1.386 329 G CA -0.766 44.543 45.100 0.348 0.000 0.959 329 G HN 0.384 nan 8.290 nan 0.000 0.522 330 L N -0.256 121.240 121.223 0.454 0.000 2.777 330 L HA 0.664 5.019 4.340 0.025 0.000 0.195 330 L C 1.061 178.140 176.870 0.348 0.000 1.190 330 L CA -0.421 54.650 54.840 0.384 0.000 0.933 330 L CB 0.782 43.024 42.059 0.305 0.000 1.758 330 L HN 0.742 nan 8.230 nan 0.000 0.515 331 S N -2.648 113.071 115.700 0.032 0.000 2.656 331 S HA 0.415 4.900 4.470 0.025 0.000 0.273 331 S C -2.594 171.508 174.600 -0.830 0.000 1.168 331 S CA -1.029 56.901 58.200 -0.451 0.000 0.817 331 S CB 1.423 64.508 63.200 -0.192 0.000 1.146 331 S HN 0.253 nan 8.310 nan 0.000 0.475 332 P HA 0.091 nan 4.420 nan 0.000 0.242 332 P C -0.385 176.636 177.300 -0.466 0.000 1.198 332 P CA 0.586 63.104 63.100 -0.970 0.000 0.756 332 P CB -0.390 30.395 31.700 -1.525 0.000 0.911 333 D N 0.211 120.435 120.400 -0.293 0.000 2.363 333 D HA -0.011 4.644 4.640 0.025 0.000 0.263 333 D C 1.229 177.500 176.300 -0.049 0.000 1.258 333 D CA 0.147 54.103 54.000 -0.073 0.000 0.907 333 D CB 0.549 41.340 40.800 -0.015 0.000 1.107 333 D HN 0.007 nan 8.370 nan 0.000 0.495 334 R N 3.214 123.716 120.500 0.003 0.000 2.117 334 R HA -0.154 4.201 4.340 0.025 0.000 0.243 334 R C 2.075 178.404 176.300 0.049 0.000 1.143 334 R CA 1.169 57.289 56.100 0.034 0.000 0.968 334 R CB -0.072 30.262 30.300 0.057 0.000 0.863 334 R HN 0.559 nan 8.270 nan 0.000 0.444 335 M N 0.184 119.832 119.600 0.080 0.000 2.117 335 M HA -0.153 4.341 4.480 0.025 0.000 0.262 335 M C 2.301 178.606 176.300 0.008 0.000 1.065 335 M CA 1.247 56.612 55.300 0.109 0.000 1.114 335 M CB -0.807 31.927 32.600 0.223 0.000 1.361 335 M HN 0.165 nan 8.290 nan 0.000 0.408 336 L N 0.814 121.927 121.223 -0.183 0.000 2.046 336 L HA -0.124 4.230 4.340 0.025 0.000 0.208 336 L C 2.181 178.958 176.870 -0.155 0.000 1.077 336 L CA 1.653 56.210 54.840 -0.473 0.000 0.747 336 L CB -0.810 40.798 42.059 -0.751 0.000 0.896 336 L HN 0.226 nan 8.230 nan 0.000 0.432 337 L N -0.955 120.238 121.223 -0.049 0.000 2.083 337 L HA -0.101 4.254 4.340 0.025 0.000 0.209 337 L C 2.496 179.413 176.870 0.079 0.000 1.083 337 L CA 1.126 55.994 54.840 0.046 0.000 0.752 337 L CB -1.403 40.705 42.059 0.082 0.000 0.899 337 L HN 0.450 nan 8.230 nan 0.000 0.433 338 G N -0.129 108.715 108.800 0.074 0.000 2.408 338 G HA2 -0.201 3.774 3.960 0.025 0.000 0.217 338 G HA3 -0.201 3.774 3.960 0.025 0.000 0.217 338 G C 1.745 176.740 174.900 0.157 0.000 1.150 338 G CA 0.221 45.396 45.100 0.126 0.000 0.776 338 G HN 0.280 nan 8.290 nan 0.000 0.542 339 R N 0.475 121.029 120.500 0.091 0.000 2.148 339 R HA 0.070 4.425 4.340 0.025 0.000 0.227 339 R C 2.906 179.288 176.300 0.137 0.000 1.103 339 R CA 0.857 57.051 56.100 0.156 0.000 0.983 339 R CB -0.256 30.074 30.300 0.051 0.000 0.874 339 R HN 0.343 nan 8.270 nan 0.000 0.451 340 A N 0.608 123.486 122.820 0.097 0.000 2.019 340 A HA -0.186 4.149 4.320 0.025 0.000 0.219 340 A C 1.826 179.509 177.584 0.165 0.000 1.164 340 A CA 1.076 53.172 52.037 0.099 0.000 0.644 340 A CB -0.404 18.658 19.000 0.103 0.000 0.805 340 A HN 0.409 nan 8.150 nan 0.000 0.449 341 F N 0.251 120.257 119.950 0.092 0.000 2.262 341 F HA 0.306 4.848 4.527 0.025 0.000 0.292 341 F C 2.325 178.214 175.800 0.147 0.000 1.081 341 F CA 0.794 58.857 58.000 0.104 0.000 1.355 341 F CB -0.450 38.595 39.000 0.074 0.000 1.069 341 F HN 0.183 nan 8.300 nan 0.000 0.506 342 A N -0.480 122.262 122.820 -0.131 0.000 1.968 342 A HA -0.107 4.228 4.320 0.025 0.000 0.217 342 A C 1.909 179.368 177.584 -0.208 0.000 1.169 342 A CA 1.422 53.291 52.037 -0.279 0.000 0.638 342 A CB -1.315 17.669 19.000 -0.027 0.000 0.812 342 A HN 0.515 nan 8.150 nan 0.000 0.446 343 Y N -1.025 119.179 120.300 -0.160 0.000 2.153 343 Y HA -0.127 4.438 4.550 0.026 0.000 0.289 343 Y C 2.455 178.304 175.900 -0.086 0.000 1.127 343 Y CA 1.460 59.508 58.100 -0.086 0.000 1.131 343 Y CB -1.131 37.307 38.460 -0.035 0.000 0.995 343 Y HN 0.590 nan 8.280 nan 0.000 0.505 344 H N -0.132 118.938 119.070 0.000 0.000 2.352 344 H HA -0.172 4.404 4.556 0.034 0.000 0.299 344 H C 1.919 177.175 175.328 -0.121 0.000 1.097 344 H CA 2.093 58.108 56.048 -0.056 0.000 1.311 344 H CB -0.327 29.403 29.762 -0.053 0.000 1.377 344 H HN 0.356 nan 8.280 nan 0.000 0.504 345 D N -0.395 119.855 120.400 -0.249 0.000 2.104 345 D HA -0.164 4.490 4.640 0.025 0.000 0.194 345 D C 2.260 178.448 176.300 -0.186 0.000 0.994 345 D CA 1.733 55.554 54.000 -0.299 0.000 0.830 345 D CB -0.474 39.979 40.800 -0.577 0.000 0.959 345 D HN 0.491 nan 8.370 nan 0.000 0.452 346 A N -0.189 122.531 122.820 -0.166 0.000 1.933 346 A HA -0.226 4.109 4.320 0.025 0.000 0.218 346 A C 2.183 179.751 177.584 -0.027 0.000 1.175 346 A CA 1.773 53.769 52.037 -0.068 0.000 0.628 346 A CB -0.726 18.216 19.000 -0.096 0.000 0.814 346 A HN 0.393 nan 8.150 nan 0.000 0.444 347 Q N -0.413 119.330 119.800 -0.094 0.000 2.230 347 Q HA 0.041 4.396 4.340 0.025 0.000 0.202 347 Q C 1.916 177.839 176.000 -0.128 0.000 0.963 347 Q CA 0.972 56.715 55.803 -0.101 0.000 0.866 347 Q CB -0.282 28.390 28.738 -0.109 0.000 0.931 347 Q HN 0.681 nan 8.270 nan 0.000 0.452 348 L N -0.692 120.421 121.223 -0.184 0.000 2.131 348 L HA -0.200 4.154 4.340 0.025 0.000 0.210 348 L C 2.233 179.092 176.870 -0.019 0.000 1.092 348 L CA 1.203 55.958 54.840 -0.142 0.000 0.759 348 L CB -0.417 41.539 42.059 -0.171 0.000 0.903 348 L HN 0.303 nan 8.230 nan 0.000 0.435 349 Y N 0.595 120.837 120.300 -0.097 0.000 2.231 349 Y HA -0.144 4.412 4.550 0.010 0.000 0.294 349 Y C 2.858 178.733 175.900 -0.041 0.000 1.120 349 Y CA 1.297 59.363 58.100 -0.057 0.000 1.141 349 Y CB -0.157 38.273 38.460 -0.050 0.000 1.022 349 Y HN -0.076 nan 8.280 nan 0.000 0.523 350 R N -0.508 119.919 120.500 -0.122 0.000 2.066 350 R HA -0.089 4.266 4.340 0.025 0.000 0.232 350 R C 1.564 177.765 176.300 -0.166 0.000 1.131 350 R CA 2.150 58.136 56.100 -0.190 0.000 0.955 350 R CB -0.248 30.026 30.300 -0.044 0.000 0.851 350 R HN 0.351 nan 8.270 nan 0.000 0.432 351 V N -1.622 118.228 119.914 -0.107 0.000 2.721 351 V HA 0.414 4.548 4.120 0.025 0.000 0.236 351 V C 0.817 176.890 176.094 -0.036 0.000 1.116 351 V CA 0.771 63.033 62.300 -0.063 0.000 1.148 351 V CB 0.778 32.566 31.823 -0.058 0.000 0.886 351 V HN 0.629 nan 8.190 nan 0.000 0.490 352 G N -1.532 107.241 108.800 -0.045 0.000 2.350 352 G HA2 0.437 4.411 3.960 0.025 0.000 0.304 352 G HA3 0.437 4.411 3.960 0.025 0.000 0.304 352 G C 0.278 175.147 174.900 -0.051 0.000 1.421 352 G CA 0.037 45.123 45.100 -0.022 0.000 0.934 352 G HN 0.418 nan 8.290 nan 0.000 0.632 353 A N -0.502 122.272 122.820 -0.077 0.000 1.948 353 A HA -0.056 4.279 4.320 0.025 0.000 0.220 353 A C 1.458 178.893 177.584 -0.248 0.000 1.177 353 A CA 2.127 54.047 52.037 -0.194 0.000 0.636 353 A CB -0.506 18.337 19.000 -0.261 0.000 0.815 353 A HN 0.727 nan 8.150 nan 0.000 0.449 354 H N -0.796 118.303 119.070 0.048 0.000 2.568 354 H HA 0.193 4.763 4.556 0.024 0.000 0.302 354 H C 1.701 177.084 175.328 0.092 0.000 1.065 354 H CA 0.446 56.556 56.048 0.102 0.000 1.140 354 H CB -0.001 29.880 29.762 0.197 0.000 1.474 354 H HN 0.273 nan 8.280 nan 0.000 0.545 355 V N 1.162 121.136 119.914 0.100 0.000 2.370 355 V HA -0.294 3.841 4.120 0.025 0.000 0.252 355 V C 1.442 177.571 176.094 0.057 0.000 1.068 355 V CA 1.914 64.243 62.300 0.049 0.000 1.061 355 V CB -0.000 31.805 31.823 -0.028 0.000 0.656 355 V HN 0.446 nan 8.190 nan 0.000 0.455 356 N N -0.372 118.383 118.700 0.093 0.000 2.461 356 N HA 0.009 4.764 4.740 0.025 0.000 0.188 356 N C 1.501 177.067 175.510 0.094 0.000 1.134 356 N CA 0.526 53.624 53.050 0.080 0.000 0.878 356 N CB 0.179 38.722 38.487 0.093 0.000 0.972 356 N HN 0.683 nan 8.380 nan 0.000 0.456 357 Q N -0.213 119.667 119.800 0.133 0.000 2.384 357 Q HA 0.202 4.556 4.340 0.025 0.000 0.207 357 Q C 0.195 176.199 176.000 0.006 0.000 0.904 357 Q CA -0.050 55.810 55.803 0.095 0.000 0.933 357 Q CB 0.772 29.606 28.738 0.160 0.000 1.077 357 Q HN 0.310 nan 8.270 nan 0.000 0.522 358 L N 2.024 123.246 121.223 -0.001 0.000 2.456 358 L HA 0.006 4.361 4.340 0.025 0.000 0.272 358 L C -1.458 175.376 176.870 -0.061 0.000 1.189 358 L CA -1.262 53.537 54.840 -0.068 0.000 0.846 358 L CB 0.095 42.125 42.059 -0.048 0.000 1.111 358 L HN -0.101 nan 8.230 nan 0.000 0.475 359 P HA -0.213 nan 4.420 nan 0.000 0.216 359 P C 1.639 178.926 177.300 -0.021 0.000 1.154 359 P CA 0.959 64.019 63.100 -0.067 0.000 0.865 359 P CB 0.214 31.862 31.700 -0.087 0.000 0.789 360 V N -0.384 119.528 119.914 -0.004 0.000 2.759 360 V HA -0.137 3.998 4.120 0.025 0.000 0.256 360 V C 1.407 177.549 176.094 0.079 0.000 1.080 360 V CA 1.876 64.215 62.300 0.066 0.000 1.101 360 V CB -0.914 30.930 31.823 0.035 0.000 0.698 360 V HN 0.114 nan 8.190 nan 0.000 0.477 361 N N -0.126 118.574 118.700 -0.001 0.000 2.299 361 N HA 0.090 4.845 4.740 0.025 0.000 0.187 361 N C 0.909 176.434 175.510 0.025 0.000 1.099 361 N CA 0.005 53.035 53.050 -0.034 0.000 0.867 361 N CB 0.062 38.504 38.487 -0.074 0.000 0.974 361 N HN 0.418 nan 8.380 nan 0.000 0.477 362 R N 2.151 122.686 120.500 0.057 0.000 2.543 362 R HA 0.186 4.541 4.340 0.025 0.000 0.277 362 R C -2.250 174.118 176.300 0.113 0.000 1.074 362 R CA -1.017 55.117 56.100 0.057 0.000 1.076 362 R CB 0.567 30.879 30.300 0.019 0.000 0.993 362 R HN -0.019 nan 8.270 nan 0.000 0.459 363 P HA 0.116 nan 4.420 nan 0.000 0.276 363 P C -0.682 176.671 177.300 0.089 0.000 1.261 363 P CA -0.269 62.900 63.100 0.114 0.000 0.800 363 P CB 0.813 32.549 31.700 0.061 0.000 1.066 364 K N -0.166 120.294 120.400 0.100 0.000 2.228 364 K HA 0.004 4.339 4.320 0.025 0.000 0.202 364 K C 1.179 177.789 176.600 0.017 0.000 1.051 364 K CA 0.687 56.998 56.287 0.040 0.000 0.960 364 K CB -0.126 32.400 32.500 0.044 0.000 0.743 364 K HN 0.584 nan 8.250 nan 0.000 0.458 365 N N 0.675 119.390 118.700 0.024 0.000 2.447 365 N HA 0.147 4.901 4.740 0.025 0.000 0.271 365 N C -0.740 174.775 175.510 0.009 0.000 1.226 365 N CA -0.375 52.680 53.050 0.009 0.000 0.980 365 N CB 0.737 39.228 38.487 0.006 0.000 1.206 365 N HN -0.153 nan 8.380 nan 0.000 0.558 366 A N 0.357 123.179 122.820 0.004 0.000 2.454 366 A HA 0.364 4.698 4.320 0.025 0.000 0.260 366 A C 0.032 177.635 177.584 0.031 0.000 1.106 366 A CA -0.601 51.442 52.037 0.010 0.000 0.780 366 A CB -0.185 18.816 19.000 0.001 0.000 1.044 366 A HN 0.466 nan 8.150 nan 0.000 0.498 367 V N 3.460 123.397 119.914 0.037 0.000 2.465 367 V HA 0.269 4.404 4.120 0.025 0.000 0.279 367 V C -0.052 176.095 176.094 0.089 0.000 1.045 367 V CA -0.006 62.324 62.300 0.050 0.000 0.938 367 V CB 0.974 32.816 31.823 0.032 0.000 0.986 367 V HN 0.963 nan 8.190 nan 0.000 0.467 368 H N 4.694 123.749 119.070 -0.025 0.000 2.761 368 H HA 0.413 4.985 4.556 0.026 0.000 0.263 368 H C -0.499 174.790 175.328 -0.065 0.000 1.292 368 H CA -0.127 55.891 56.048 -0.051 0.000 1.540 368 H CB 0.416 30.166 29.762 -0.019 0.000 1.569 368 H HN 0.705 nan 8.280 nan 0.000 0.510 369 N N 3.702 122.230 118.700 -0.286 0.000 2.238 369 N HA 0.084 4.839 4.740 0.025 0.000 0.302 369 N C -1.066 174.163 175.510 -0.469 0.000 1.072 369 N CA -0.594 52.325 53.050 -0.218 0.000 0.792 369 N CB 1.251 39.673 38.487 -0.109 0.000 1.425 369 N HN 0.410 nan 8.380 nan 0.000 0.478 370 Y N 1.654 121.826 120.300 -0.213 0.000 2.667 370 Y HA 0.409 4.973 4.550 0.024 0.000 0.340 370 Y C 0.255 175.923 175.900 -0.387 0.000 1.303 370 Y CA -0.185 57.764 58.100 -0.252 0.000 1.769 370 Y CB 0.104 38.586 38.460 0.037 0.000 1.804 370 Y HN 0.460 nan 8.280 nan 0.000 0.451 371 A N 2.354 124.690 122.820 -0.807 0.000 2.459 371 A HA 0.840 5.175 4.320 0.025 0.000 0.296 371 A C -1.477 175.542 177.584 -0.942 0.000 1.039 371 A CA -0.544 51.148 52.037 -0.574 0.000 0.698 371 A CB 0.941 19.790 19.000 -0.252 0.000 1.261 371 A HN 0.332 nan 8.150 nan 0.000 0.405 372 F N 0.715 120.549 119.950 -0.193 0.000 2.626 372 F HA 0.662 5.202 4.527 0.023 0.000 0.311 372 F C 0.533 175.835 175.800 -0.830 0.000 1.088 372 F CA -0.158 57.541 58.000 -0.503 0.000 0.949 372 F CB 1.550 40.446 39.000 -0.174 0.000 1.322 372 F HN 0.924 nan 8.300 nan 0.000 0.461 373 E N 0.335 119.637 120.200 -1.496 0.000 5.214 373 E HA 0.113 4.478 4.350 0.025 0.000 0.185 373 E C 0.025 176.373 176.600 -0.420 0.000 1.449 373 E CA 0.867 56.828 56.400 -0.732 0.000 2.396 373 E CB -1.137 28.437 29.700 -0.210 0.000 2.017 373 E HN 1.604 nan 8.360 nan 0.000 0.486 374 G N 0.055 108.776 108.800 -0.132 0.000 2.699 374 G HA2 -0.176 3.799 3.960 0.025 0.000 0.686 374 G HA3 -0.176 3.799 3.960 0.025 0.000 0.686 374 G C -0.795 174.163 174.900 0.097 0.000 1.301 374 G CA -0.009 45.067 45.100 -0.040 0.000 0.816 374 G HN 0.475 nan 8.290 nan 0.000 0.595 375 Q N 0.390 120.240 119.800 0.084 0.000 2.361 375 Q HA 0.433 4.788 4.340 0.025 0.000 0.276 375 Q C 1.089 177.208 176.000 0.198 0.000 1.022 375 Q CA 0.280 56.150 55.803 0.111 0.000 0.898 375 Q CB 0.244 29.021 28.738 0.065 0.000 1.246 375 Q HN 0.728 nan 8.270 nan 0.000 0.410 376 M N 0.505 120.171 119.600 0.110 0.000 2.297 376 M HA -0.213 4.282 4.480 0.025 0.000 0.200 376 M C -1.335 175.004 176.300 0.066 0.000 0.414 376 M CA 0.621 55.919 55.300 -0.003 0.000 0.449 376 M CB -1.555 31.082 32.600 0.063 0.000 1.436 376 M HN 0.714 nan 8.290 nan 0.000 0.912 377 W N 1.222 122.433 121.300 -0.149 0.000 2.433 377 W HA 0.367 5.042 4.660 0.025 0.000 0.331 377 W C 0.378 176.767 176.519 -0.216 0.000 1.110 377 W CA -0.545 56.614 57.345 -0.310 0.000 1.450 377 W CB -0.245 29.121 29.460 -0.156 0.000 1.348 377 W HN 0.359 nan 8.180 nan 0.000 0.415 378 Y N 1.681 121.928 120.300 -0.087 0.000 2.269 378 Y HA -0.039 4.524 4.550 0.022 0.000 0.294 378 Y C 1.171 176.900 175.900 -0.284 0.000 1.120 378 Y CA 1.279 59.302 58.100 -0.129 0.000 1.159 378 Y CB 0.259 38.680 38.460 -0.064 0.000 1.024 378 Y HN -0.016 nan 8.280 nan 0.000 0.532 379 D N 0.289 120.549 120.400 -0.232 0.000 2.477 379 D HA 0.121 4.776 4.640 0.025 0.000 0.239 379 D C -0.679 175.201 176.300 -0.699 0.000 1.102 379 D CA -0.211 53.571 54.000 -0.363 0.000 0.901 379 D CB 0.055 40.748 40.800 -0.178 0.000 1.026 379 D HN 0.405 nan 8.370 nan 0.000 0.515 380 H N -1.654 116.879 119.070 -0.895 0.000 2.544 380 H HA 0.347 4.916 4.556 0.023 0.000 0.365 380 H C 1.027 176.048 175.328 -0.511 0.000 1.268 380 H CA -0.491 54.752 56.048 -1.342 0.000 1.400 380 H CB 0.573 29.526 29.762 -1.348 0.000 1.538 380 H HN 0.035 nan 8.280 nan 0.000 0.597 381 T N -1.742 112.793 114.554 -0.030 0.000 3.163 381 T HA 0.377 4.741 4.350 0.025 0.000 0.252 381 T C 1.252 176.091 174.700 0.232 0.000 1.056 381 T CA -0.049 62.165 62.100 0.189 0.000 0.947 381 T CB -0.858 68.279 68.868 0.448 0.000 1.016 381 T HN 1.114 nan 8.240 nan 0.000 0.554 382 G N 3.177 112.207 108.800 0.383 0.000 2.596 382 G HA2 -0.374 3.601 3.960 0.025 0.000 0.295 382 G HA3 -0.374 3.601 3.960 0.025 0.000 0.295 382 G C 0.302 175.288 174.900 0.144 0.000 1.240 382 G CA 0.446 45.692 45.100 0.244 0.000 0.985 382 G HN 0.700 nan 8.290 nan 0.000 0.555 383 D N 0.966 121.428 120.400 0.102 0.000 2.395 383 D HA 0.147 4.802 4.640 0.025 0.000 0.226 383 D C 1.025 177.371 176.300 0.076 0.000 1.146 383 D CA -0.163 53.882 54.000 0.074 0.000 0.830 383 D CB -0.224 40.609 40.800 0.055 0.000 0.958 383 D HN 0.612 nan 8.370 nan 0.000 0.501 384 R N 0.503 121.067 120.500 0.106 0.000 2.640 384 R HA 0.133 4.488 4.340 0.025 0.000 0.270 384 R C 0.100 176.428 176.300 0.048 0.000 1.024 384 R CA 0.044 56.209 56.100 0.109 0.000 1.085 384 R CB 0.487 30.884 30.300 0.163 0.000 0.963 384 R HN 0.038 nan 8.270 nan 0.000 0.426 385 S N 0.907 116.631 115.700 0.040 0.000 2.560 385 S HA -0.035 4.449 4.470 0.025 0.000 0.284 385 S C 1.164 175.736 174.600 -0.047 0.000 1.327 385 S CA -0.012 58.155 58.200 -0.055 0.000 1.055 385 S CB 1.021 64.099 63.200 -0.204 0.000 0.868 385 S HN 0.759 nan 8.310 nan 0.000 0.506 386 T N -0.589 113.901 114.554 -0.107 0.000 3.145 386 T HA 0.304 4.669 4.350 0.025 0.000 0.255 386 T C -0.198 174.632 174.700 0.216 0.000 1.039 386 T CA -0.230 61.751 62.100 -0.197 0.000 0.928 386 T CB -0.602 68.014 68.868 -0.421 0.000 1.029 386 T HN 0.671 nan 8.240 nan 0.000 0.554 387 Y N -0.569 119.794 120.300 0.106 0.000 2.597 387 Y HA 0.779 5.343 4.550 0.023 0.000 0.340 387 Y C -1.304 174.488 175.900 -0.181 0.000 1.097 387 Y CA -2.186 55.887 58.100 -0.046 0.000 1.037 387 Y CB 1.361 39.774 38.460 -0.079 0.000 1.305 387 Y HN 0.172 nan 8.280 nan 0.000 0.463 388 V N -0.719 118.995 119.914 -0.334 0.000 3.049 388 V HA 0.844 4.979 4.120 0.025 0.000 0.309 388 V C -2.932 172.797 176.094 -0.607 0.000 1.148 388 V CA -2.214 59.644 62.300 -0.737 0.000 0.990 388 V CB 1.268 32.497 31.823 -0.990 0.000 1.039 388 V HN 0.799 nan 8.190 nan 0.000 0.430 389 P HA 0.414 nan 4.420 nan 0.000 0.270 389 P C -1.112 175.794 177.300 -0.656 0.000 1.223 389 P CA 0.050 62.302 63.100 -1.412 0.000 0.785 389 P CB 0.211 31.432 31.700 -0.799 0.000 0.923 390 N N -2.243 116.113 118.700 -0.573 0.000 2.405 390 N HA 0.418 5.172 4.740 0.025 0.000 0.285 390 N C -0.600 174.955 175.510 0.075 0.000 1.262 390 N CA -0.863 52.080 53.050 -0.178 0.000 0.773 390 N CB 1.067 39.265 38.487 -0.481 0.000 1.490 390 N HN -0.005 nan 8.380 nan 0.000 0.486 391 S N -0.478 115.290 115.700 0.113 0.000 2.583 391 S HA 0.209 4.694 4.470 0.025 0.000 0.239 391 S C -0.010 174.659 174.600 0.116 0.000 0.966 391 S CA -0.541 57.737 58.200 0.130 0.000 0.973 391 S CB -0.669 62.597 63.200 0.110 0.000 0.794 391 S HN 0.537 nan 8.310 nan 0.000 0.463 392 N N 0.948 119.716 118.700 0.113 0.000 2.187 392 N HA 0.178 4.932 4.740 0.025 0.000 0.212 392 N C 1.074 176.647 175.510 0.105 0.000 1.152 392 N CA 0.499 53.606 53.050 0.095 0.000 0.872 392 N CB 0.951 39.484 38.487 0.075 0.000 1.025 392 N HN 0.462 nan 8.380 nan 0.000 0.514 393 G N 1.213 110.095 108.800 0.138 0.000 2.136 393 G HA2 -0.205 3.769 3.960 0.025 0.000 0.242 393 G HA3 -0.205 3.769 3.960 0.025 0.000 0.242 393 G C -0.824 174.156 174.900 0.134 0.000 0.989 393 G CA -0.174 44.994 45.100 0.112 0.000 0.682 393 G HN 0.236 nan 8.290 nan 0.000 0.522 394 D N 1.356 121.890 120.400 0.223 0.000 2.359 394 D HA 0.472 5.127 4.640 0.025 0.000 0.230 394 D C 1.014 177.593 176.300 0.465 0.000 1.118 394 D CA 0.565 54.747 54.000 0.303 0.000 0.844 394 D CB 1.371 42.347 40.800 0.294 0.000 1.059 394 D HN 0.500 nan 8.370 nan 0.000 0.493 395 S N 2.233 118.117 115.700 0.307 0.000 2.584 395 S HA 0.491 4.976 4.470 0.025 0.000 0.270 395 S C -0.225 174.698 174.600 0.539 0.000 1.346 395 S CA -0.510 57.772 58.200 0.137 0.000 1.018 395 S CB 0.728 63.840 63.200 -0.147 0.000 0.899 395 S HN 0.595 nan 8.310 nan 0.000 0.542 396 W N -0.482 120.954 121.300 0.227 0.000 3.042 396 W HA 0.768 5.442 4.660 0.024 0.000 0.342 396 W C -1.370 175.210 176.519 0.102 0.000 1.240 396 W CA -0.955 56.507 57.345 0.196 0.000 1.166 396 W CB 0.558 30.007 29.460 -0.020 0.000 1.469 396 W HN 0.549 nan 8.180 nan 0.000 0.579 397 S N 0.979 116.832 115.700 0.255 0.000 2.525 397 S HA 0.406 4.890 4.470 0.025 0.000 0.290 397 S C -1.187 173.546 174.600 0.222 0.000 1.152 397 S CA -0.326 57.949 58.200 0.125 0.000 1.072 397 S CB 1.272 64.542 63.200 0.117 0.000 1.027 397 S HN 0.493 nan 8.310 nan 0.000 0.500 398 D N 1.390 121.863 120.400 0.123 0.000 3.453 398 D HA 0.078 4.733 4.640 0.025 0.000 0.312 398 D C -0.911 175.429 176.300 0.067 0.000 1.349 398 D CA -0.254 53.834 54.000 0.146 0.000 0.739 398 D CB 0.208 41.163 40.800 0.258 0.000 1.312 398 D HN 0.306 nan 8.370 nan 0.000 0.628 399 E N 0.615 120.838 120.200 0.038 0.000 2.316 399 E HA 0.277 4.641 4.350 0.025 0.000 0.275 399 E C 0.432 177.041 176.600 0.015 0.000 1.029 399 E CA 0.121 56.530 56.400 0.015 0.000 0.871 399 E CB 1.107 30.807 29.700 0.001 0.000 1.022 399 E HN 0.385 nan 8.360 nan 0.000 0.418 400 T N -0.738 113.821 114.554 0.009 0.000 2.918 400 T HA 0.757 5.122 4.350 0.025 0.000 0.286 400 T C 0.514 175.210 174.700 -0.006 0.000 1.026 400 T CA -0.130 61.972 62.100 0.004 0.000 1.031 400 T CB 1.999 70.873 68.868 0.010 0.000 1.046 400 T HN 0.649 nan 8.240 nan 0.000 0.479 401 G N 2.004 110.797 108.800 -0.012 0.000 2.549 401 G HA2 0.120 4.094 3.960 0.025 0.000 0.404 401 G HA3 0.120 4.094 3.960 0.025 0.000 0.404 401 G C -2.807 172.076 174.900 -0.028 0.000 1.292 401 G CA -0.946 44.143 45.100 -0.018 0.000 0.935 401 G HN 0.906 nan 8.290 nan 0.000 0.512 402 P HA 0.408 nan 4.420 nan 0.000 0.264 402 P C 0.623 177.894 177.300 -0.048 0.000 1.183 402 P CA 0.082 63.154 63.100 -0.045 0.000 0.763 402 P CB 0.698 32.374 31.700 -0.039 0.000 0.807 403 V N -0.119 119.758 119.914 -0.062 0.000 2.953 403 V HA 0.190 4.325 4.120 0.025 0.000 0.304 403 V C 1.184 177.248 176.094 -0.051 0.000 1.073 403 V CA -0.331 61.936 62.300 -0.055 0.000 1.064 403 V CB 1.078 32.863 31.823 -0.064 0.000 1.047 403 V HN 0.587 nan 8.190 nan 0.000 0.478 404 D N 1.572 121.949 120.400 -0.039 0.000 2.269 404 D HA -0.157 4.498 4.640 0.025 0.000 0.208 404 D C 0.762 177.048 176.300 -0.023 0.000 0.963 404 D CA 1.279 55.255 54.000 -0.040 0.000 0.864 404 D CB -0.332 40.445 40.800 -0.038 0.000 0.936 404 D HN 0.856 nan 8.370 nan 0.000 0.505 405 D N -0.173 120.231 120.400 0.006 0.000 2.755 405 D HA 0.287 4.941 4.640 0.025 0.000 0.257 405 D C 0.696 177.064 176.300 0.112 0.000 1.291 405 D CA -0.720 53.329 54.000 0.082 0.000 0.836 405 D CB -0.024 40.844 40.800 0.115 0.000 1.059 405 D HN 0.164 nan 8.370 nan 0.000 0.486 406 G N -0.285 108.528 108.800 0.021 0.000 2.753 406 G HA2 0.693 4.667 3.960 0.025 0.000 0.285 406 G HA3 0.693 4.667 3.960 0.025 0.000 0.285 406 G C -1.151 173.870 174.900 0.202 0.000 1.344 406 G CA -0.959 44.067 45.100 -0.124 0.000 1.050 406 G HN 0.319 nan 8.290 nan 0.000 0.532 407 W N -2.174 119.210 121.300 0.139 0.000 2.895 407 W HA 0.727 5.401 4.660 0.024 0.000 0.377 407 W C -1.382 175.226 176.519 0.147 0.000 1.191 407 W CA -1.053 56.435 57.345 0.239 0.000 1.179 407 W CB 0.725 30.400 29.460 0.359 0.000 1.469 407 W HN 0.498 nan 8.180 nan 0.000 0.577 408 E N 1.186 121.645 120.200 0.432 0.000 2.222 408 E HA 0.762 5.127 4.350 0.025 0.000 0.272 408 E C -0.567 176.194 176.600 0.267 0.000 0.982 408 E CA -0.548 55.996 56.400 0.239 0.000 0.842 408 E CB 1.765 31.591 29.700 0.211 0.000 1.144 408 E HN 0.761 nan 8.360 nan 0.000 0.397 409 A N 2.111 125.017 122.820 0.143 0.000 2.572 409 A HA 0.689 5.024 4.320 0.025 0.000 0.295 409 A C -1.799 175.828 177.584 0.072 0.000 1.072 409 A CA -0.784 51.327 52.037 0.123 0.000 0.691 409 A CB 1.418 20.492 19.000 0.123 0.000 1.291 409 A HN 0.708 nan 8.150 nan 0.000 0.404 410 D N 0.229 120.665 120.400 0.061 0.000 2.937 410 D HA 0.571 5.226 4.640 0.025 0.000 0.215 410 D C -0.331 175.991 176.300 0.036 0.000 1.274 410 D CA 0.319 54.345 54.000 0.043 0.000 0.869 410 D CB 1.491 42.316 40.800 0.042 0.000 1.675 410 D HN 1.785 nan 8.370 nan 0.000 0.538 411 G N 0.178 108.995 108.800 0.028 0.000 2.341 411 G HA2 0.356 4.331 3.960 0.025 0.000 0.293 411 G HA3 0.356 4.331 3.960 0.025 0.000 0.293 411 G C -1.504 173.407 174.900 0.020 0.000 1.298 411 G CA -0.403 44.712 45.100 0.024 0.000 0.868 411 G HN 0.615 nan 8.290 nan 0.000 0.540 412 T N -0.029 114.535 114.554 0.018 0.000 2.929 412 T HA 0.608 4.973 4.350 0.025 0.000 0.284 412 T C 0.636 175.346 174.700 0.016 0.000 1.014 412 T CA -0.529 61.580 62.100 0.015 0.000 1.051 412 T CB 0.537 69.413 68.868 0.013 0.000 1.028 412 T HN 0.535 nan 8.240 nan 0.000 0.485 413 L N 3.560 124.791 121.223 0.014 0.000 2.513 413 L HA 0.343 4.698 4.340 0.025 0.000 0.272 413 L C 0.762 177.642 176.870 0.015 0.000 1.187 413 L CA 0.154 55.003 54.840 0.014 0.000 0.895 413 L CB 0.526 42.591 42.059 0.011 0.000 1.147 413 L HN 0.645 nan 8.230 nan 0.000 0.483 414 T N 3.755 118.321 114.554 0.018 0.000 2.821 414 T HA 0.494 4.859 4.350 0.025 0.000 0.306 414 T C -0.953 173.760 174.700 0.023 0.000 1.313 414 T CA -0.804 61.308 62.100 0.019 0.000 1.012 414 T CB 1.336 70.216 68.868 0.019 0.000 1.298 414 T HN 0.595 nan 8.240 nan 0.000 0.502 415 R N 2.745 123.260 120.500 0.024 0.000 2.412 415 R HA 0.525 4.880 4.340 0.025 0.000 0.304 415 R C -0.662 175.654 176.300 0.027 0.000 1.066 415 R CA -0.641 55.477 56.100 0.029 0.000 0.923 415 R CB 1.076 31.395 30.300 0.031 0.000 1.156 415 R HN 0.789 nan 8.270 nan 0.000 0.513 416 E N 1.311 121.528 120.200 0.028 0.000 2.437 416 E HA 0.572 4.937 4.350 0.025 0.000 0.280 416 E C -1.388 175.227 176.600 0.025 0.000 1.044 416 E CA -1.179 55.235 56.400 0.024 0.000 0.826 416 E CB 1.091 30.802 29.700 0.018 0.000 1.358 416 E HN 0.341 nan 8.360 nan 0.000 0.459 417 A N 1.321 124.153 122.820 0.020 0.000 2.425 417 A HA 0.232 4.567 4.320 0.025 0.000 0.242 417 A C -0.096 177.498 177.584 0.017 0.000 1.077 417 A CA -0.221 51.828 52.037 0.019 0.000 0.781 417 A CB 0.096 19.102 19.000 0.011 0.000 1.020 417 A HN 0.543 nan 8.150 nan 0.000 0.494 418 Q N 0.372 120.183 119.800 0.019 0.000 2.349 418 Q HA 0.393 4.747 4.340 0.025 0.000 0.287 418 Q C 0.516 176.522 176.000 0.009 0.000 1.044 418 Q CA 0.848 56.662 55.803 0.017 0.000 0.918 418 Q CB 0.425 29.176 28.738 0.022 0.000 1.242 418 Q HN 0.884 nan 8.270 nan 0.000 0.405 419 A N 2.865 125.690 122.820 0.008 0.000 2.445 419 A HA 0.285 4.620 4.320 0.025 0.000 0.242 419 A C -0.509 177.072 177.584 -0.005 0.000 1.075 419 A CA -0.406 51.632 52.037 0.002 0.000 0.777 419 A CB 0.126 19.128 19.000 0.002 0.000 1.013 419 A HN 0.696 nan 8.150 nan 0.000 0.493 420 L N 3.256 124.472 121.223 -0.013 0.000 2.331 420 L HA 0.287 4.642 4.340 0.025 0.000 0.278 420 L C 0.769 177.616 176.870 -0.038 0.000 1.106 420 L CA -0.791 54.036 54.840 -0.023 0.000 0.824 420 L CB 0.394 42.438 42.059 -0.025 0.000 1.142 420 L HN 0.739 nan 8.230 nan 0.000 0.443 421 R N 1.990 122.458 120.500 -0.052 0.000 2.738 421 R HA 0.224 4.579 4.340 0.025 0.000 0.275 421 R C 1.155 177.382 176.300 -0.123 0.000 1.121 421 R CA 0.195 56.239 56.100 -0.092 0.000 1.207 421 R CB 0.107 30.333 30.300 -0.123 0.000 1.141 421 R HN 0.776 nan 8.270 nan 0.000 0.571 422 A N 0.653 123.372 122.820 -0.170 0.000 1.917 422 A HA -0.189 4.146 4.320 0.025 0.000 0.219 422 A C 0.833 178.295 177.584 -0.203 0.000 1.182 422 A CA 1.957 53.888 52.037 -0.178 0.000 0.633 422 A CB -0.170 18.706 19.000 -0.207 0.000 0.819 422 A HN 0.604 nan 8.150 nan 0.000 0.448 423 D N -0.193 120.021 120.400 -0.311 0.000 2.431 423 D HA 0.127 4.782 4.640 0.025 0.000 0.213 423 D C -0.713 175.541 176.300 -0.078 0.000 1.130 423 D CA -0.195 53.619 54.000 -0.310 0.000 0.834 423 D CB 0.049 40.421 40.800 -0.714 0.000 0.985 423 D HN 0.276 nan 8.370 nan 0.000 0.504 424 D N 2.020 122.400 120.400 -0.034 0.000 2.389 424 D HA 0.208 4.863 4.640 0.025 0.000 0.247 424 D C 0.455 176.764 176.300 0.015 0.000 1.128 424 D CA 0.544 54.579 54.000 0.058 0.000 0.884 424 D CB 1.244 42.053 40.800 0.015 0.000 1.194 424 D HN 0.155 nan 8.370 nan 0.000 0.441 425 D N 0.261 120.663 120.400 0.004 0.000 2.779 425 D HA 0.073 4.728 4.640 0.025 0.000 0.331 425 D C -0.390 175.830 176.300 -0.133 0.000 1.331 425 D CA -0.387 53.590 54.000 -0.039 0.000 0.866 425 D CB 0.659 41.463 40.800 0.007 0.000 1.409 425 D HN -0.022 nan 8.370 nan 0.000 0.486 426 D N -0.928 119.315 120.400 -0.262 0.000 2.333 426 D HA 0.175 4.829 4.640 0.025 0.000 0.208 426 D C 0.836 176.685 176.300 -0.751 0.000 0.984 426 D CA 0.631 54.288 54.000 -0.572 0.000 0.873 426 D CB 0.229 40.495 40.800 -0.890 0.000 0.935 426 D HN 0.307 nan 8.370 nan 0.000 0.521 427 F N -0.537 119.316 119.950 -0.162 0.000 2.784 427 F HA 0.269 4.811 4.527 0.025 0.000 0.323 427 F C 2.306 177.993 175.800 -0.188 0.000 1.085 427 F CA -0.301 57.578 58.000 -0.201 0.000 1.196 427 F CB 0.275 39.161 39.000 -0.190 0.000 1.053 427 F HN -0.106 nan 8.300 nan 0.000 0.578 428 G N 0.172 108.964 108.800 -0.013 0.000 2.421 428 G HA2 -0.205 3.770 3.960 0.025 0.000 0.216 428 G HA3 -0.205 3.770 3.960 0.025 0.000 0.216 428 G C 1.459 176.260 174.900 -0.165 0.000 1.171 428 G CA 0.654 45.725 45.100 -0.048 0.000 0.775 428 G HN 0.292 nan 8.290 nan 0.000 0.543 429 Q N 0.215 119.817 119.800 -0.330 0.000 2.119 429 Q HA 0.020 4.375 4.340 0.025 0.000 0.201 429 Q C 3.015 178.646 176.000 -0.614 0.000 0.972 429 Q CA 1.044 56.500 55.803 -0.579 0.000 0.847 429 Q CB -0.257 27.921 28.738 -0.933 0.000 0.903 429 Q HN 0.474 nan 8.270 nan 0.000 0.433 430 A N 1.172 123.687 122.820 -0.507 0.000 1.908 430 A HA -0.140 4.195 4.320 0.025 0.000 0.218 430 A C 2.305 179.788 177.584 -0.169 0.000 1.181 430 A CA 1.726 53.627 52.037 -0.226 0.000 0.627 430 A CB -1.201 17.762 19.000 -0.062 0.000 0.818 430 A HN 0.481 nan 8.150 nan 0.000 0.445 431 G N -1.289 107.433 108.800 -0.130 0.000 2.418 431 G HA2 -0.143 3.832 3.960 0.025 0.000 0.217 431 G HA3 -0.143 3.832 3.960 0.025 0.000 0.217 431 G C 1.560 176.365 174.900 -0.158 0.000 1.158 431 G CA 1.618 46.656 45.100 -0.104 0.000 0.771 431 G HN 0.432 nan 8.290 nan 0.000 0.545 432 T N 1.070 115.519 114.554 -0.174 0.000 2.746 432 T HA -0.122 4.243 4.350 0.025 0.000 0.267 432 T C 2.236 176.798 174.700 -0.229 0.000 1.039 432 T CA 1.160 63.160 62.100 -0.166 0.000 1.142 432 T CB -0.224 68.556 68.868 -0.146 0.000 0.866 432 T HN 0.128 nan 8.240 nan 0.000 0.444 433 L N 1.266 122.310 121.223 -0.298 0.000 2.012 433 L HA -0.050 4.304 4.340 0.025 0.000 0.210 433 L C 2.449 178.824 176.870 -0.825 0.000 1.073 433 L CA 1.609 56.175 54.840 -0.457 0.000 0.748 433 L CB -0.804 41.037 42.059 -0.363 0.000 0.891 433 L HN 0.079 nan 8.230 nan 0.000 0.431 434 V N -0.318 119.157 119.914 -0.731 0.000 2.358 434 V HA -0.237 3.898 4.120 0.025 0.000 0.246 434 V C 2.707 178.598 176.094 -0.338 0.000 1.047 434 V CA 2.062 63.937 62.300 -0.709 0.000 1.035 434 V CB -0.572 31.005 31.823 -0.409 0.000 0.658 434 V HN 0.442 nan 8.190 nan 0.000 0.452 435 R N -0.675 119.689 120.500 -0.227 0.000 2.112 435 R HA 0.005 4.360 4.340 0.025 0.000 0.216 435 R C 2.115 178.362 176.300 -0.088 0.000 1.080 435 R CA 0.932 56.963 56.100 -0.114 0.000 0.996 435 R CB 0.020 30.269 30.300 -0.086 0.000 0.902 435 R HN 0.465 nan 8.270 nan 0.000 0.449 436 E N -0.383 119.749 120.200 -0.113 0.000 2.372 436 E HA 0.039 4.404 4.350 0.025 0.000 0.201 436 E C 1.931 178.501 176.600 -0.051 0.000 0.938 436 E CA 0.485 56.844 56.400 -0.068 0.000 0.944 436 E CB 0.461 30.122 29.700 -0.064 0.000 0.937 436 E HN 0.052 nan 8.360 nan 0.000 0.495 437 V N 1.035 120.895 119.914 -0.090 0.000 2.492 437 V HA 0.034 4.169 4.120 0.025 0.000 0.241 437 V C 0.832 176.992 176.094 0.111 0.000 1.041 437 V CA 0.511 62.799 62.300 -0.021 0.000 1.057 437 V CB -0.176 31.610 31.823 -0.061 0.000 0.711 437 V HN 0.024 nan 8.190 nan 0.000 0.468 438 F N 2.301 122.207 119.950 -0.073 0.000 2.553 438 F HA 0.261 4.803 4.527 0.024 0.000 0.356 438 F C 1.234 177.002 175.800 -0.054 0.000 1.142 438 F CA -0.572 57.381 58.000 -0.078 0.000 1.322 438 F CB 0.008 38.931 39.000 -0.128 0.000 1.126 438 F HN 0.178 nan 8.300 nan 0.000 0.599 439 S N 1.018 116.799 115.700 0.135 0.000 2.661 439 S HA 0.174 4.658 4.470 0.025 0.000 0.265 439 S C 0.808 175.439 174.600 0.053 0.000 1.225 439 S CA -0.646 57.591 58.200 0.062 0.000 0.986 439 S CB 0.892 64.106 63.200 0.023 0.000 1.008 439 S HN 0.507 nan 8.310 nan 0.000 0.565 440 D N 0.293 120.712 120.400 0.031 0.000 2.117 440 D HA -0.103 4.552 4.640 0.025 0.000 0.197 440 D C 1.933 178.241 176.300 0.014 0.000 0.987 440 D CA 1.574 55.589 54.000 0.026 0.000 0.829 440 D CB -0.481 40.329 40.800 0.016 0.000 0.961 440 D HN 0.675 nan 8.370 nan 0.000 0.460 441 Q N 0.985 120.784 119.800 -0.001 0.000 2.124 441 Q HA -0.137 4.218 4.340 0.025 0.000 0.202 441 Q C 1.723 177.699 176.000 -0.041 0.000 0.977 441 Q CA 1.476 57.270 55.803 -0.015 0.000 0.850 441 Q CB -0.102 28.625 28.738 -0.017 0.000 0.901 441 Q HN 0.341 nan 8.270 nan 0.000 0.429 442 E N -0.574 119.579 120.200 -0.079 0.000 2.106 442 E HA -0.146 4.219 4.350 0.025 0.000 0.192 442 E C 2.141 178.643 176.600 -0.162 0.000 0.984 442 E CA 0.796 57.069 56.400 -0.212 0.000 0.806 442 E CB -0.056 29.406 29.700 -0.397 0.000 0.750 442 E HN 0.275 nan 8.360 nan 0.000 0.458 443 R N 0.720 121.215 120.500 -0.009 0.000 2.081 443 R HA -0.132 4.223 4.340 0.025 0.000 0.235 443 R C 1.768 178.134 176.300 0.109 0.000 1.131 443 R CA 1.371 57.532 56.100 0.103 0.000 0.960 443 R CB -0.070 30.294 30.300 0.107 0.000 0.856 443 R HN 0.148 nan 8.270 nan 0.000 0.436 444 D N 0.531 120.960 120.400 0.048 0.000 2.097 444 D HA -0.141 4.513 4.640 0.025 0.000 0.195 444 D C 1.404 177.720 176.300 0.026 0.000 0.989 444 D CA 1.251 55.271 54.000 0.033 0.000 0.827 444 D CB -0.282 40.524 40.800 0.010 0.000 0.966 444 D HN 0.127 nan 8.370 nan 0.000 0.456 445 D N -0.359 120.047 120.400 0.010 0.000 2.144 445 D HA -0.120 4.535 4.640 0.025 0.000 0.200 445 D C 1.826 178.135 176.300 0.014 0.000 0.978 445 D CA 0.273 54.268 54.000 -0.008 0.000 0.833 445 D CB -0.483 40.295 40.800 -0.036 0.000 0.961 445 D HN 0.196 nan 8.370 nan 0.000 0.470 446 F N 1.347 121.226 119.950 -0.118 0.000 2.095 446 F HA -0.242 4.299 4.527 0.024 0.000 0.298 446 F C 2.172 177.909 175.800 -0.104 0.000 1.104 446 F CA 1.122 59.062 58.000 -0.100 0.000 1.232 446 F CB -0.144 38.831 39.000 -0.043 0.000 0.987 446 F HN -0.211 nan 8.300 nan 0.000 0.475 447 V N 0.515 120.453 119.914 0.039 0.000 2.332 447 V HA -0.274 3.861 4.120 0.025 0.000 0.248 447 V C 2.373 178.374 176.094 -0.155 0.000 1.055 447 V CA 2.139 64.384 62.300 -0.092 0.000 1.038 447 V CB -0.670 31.152 31.823 -0.002 0.000 0.651 447 V HN 0.312 nan 8.190 nan 0.000 0.450 448 E N -0.064 120.078 120.200 -0.096 0.000 2.150 448 E HA -0.145 4.220 4.350 0.025 0.000 0.193 448 E C 2.314 178.846 176.600 -0.113 0.000 0.985 448 E CA 1.643 57.990 56.400 -0.088 0.000 0.814 448 E CB -0.572 29.096 29.700 -0.053 0.000 0.752 448 E HN 0.594 nan 8.360 nan 0.000 0.466 449 T N 1.097 115.564 114.554 -0.146 0.000 2.701 449 T HA -0.073 4.292 4.350 0.025 0.000 0.263 449 T C 2.172 176.770 174.700 -0.169 0.000 1.040 449 T CA 1.249 63.267 62.100 -0.136 0.000 1.147 449 T CB -0.193 68.590 68.868 -0.141 0.000 0.865 449 T HN -0.032 nan 8.240 nan 0.000 0.426 450 V N 1.783 121.479 119.914 -0.363 0.000 2.358 450 V HA -0.127 4.007 4.120 0.025 0.000 0.246 450 V C 2.902 178.856 176.094 -0.233 0.000 1.047 450 V CA 1.626 63.708 62.300 -0.362 0.000 1.035 450 V CB -1.243 30.075 31.823 -0.841 0.000 0.658 450 V HN 0.511 nan 8.190 nan 0.000 0.452 451 A N 0.714 123.399 122.820 -0.225 0.000 1.908 451 A HA -0.133 4.202 4.320 0.025 0.000 0.218 451 A C 2.431 179.948 177.584 -0.111 0.000 1.181 451 A CA 2.083 54.031 52.037 -0.147 0.000 0.627 451 A CB -1.299 17.629 19.000 -0.121 0.000 0.818 451 A HN 0.533 nan 8.150 nan 0.000 0.445 452 G N -0.605 108.141 108.800 -0.090 0.000 2.418 452 G HA2 0.002 3.977 3.960 0.025 0.000 0.217 452 G HA3 0.002 3.977 3.960 0.025 0.000 0.217 452 G C 1.682 176.576 174.900 -0.010 0.000 1.158 452 G CA 1.360 46.423 45.100 -0.061 0.000 0.771 452 G HN 0.865 nan 8.290 nan 0.000 0.545 453 A N 0.055 122.912 122.820 0.061 0.000 2.067 453 A HA 0.229 4.564 4.320 0.025 0.000 0.219 453 A C 2.202 179.933 177.584 0.246 0.000 1.158 453 A CA 0.817 53.000 52.037 0.244 0.000 0.661 453 A CB -0.200 19.098 19.000 0.497 0.000 0.801 453 A HN 0.373 nan 8.150 nan 0.000 0.452 454 L N -1.077 120.128 121.223 -0.029 0.000 2.607 454 L HA 0.117 4.472 4.340 0.025 0.000 0.228 454 L C 0.982 177.786 176.870 -0.109 0.000 1.123 454 L CA -0.094 54.627 54.840 -0.198 0.000 0.890 454 L CB -0.019 41.836 42.059 -0.340 0.000 1.103 454 L HN 0.222 nan 8.230 nan 0.000 0.468 455 K N 0.677 121.021 120.400 -0.095 0.000 2.416 455 K HA 0.201 4.536 4.320 0.025 0.000 0.283 455 K C 1.116 177.670 176.600 -0.078 0.000 1.037 455 K CA 0.899 57.090 56.287 -0.161 0.000 0.995 455 K CB 0.439 32.794 32.500 -0.242 0.000 0.938 455 K HN 0.185 nan 8.250 nan 0.000 0.475 456 G N 2.133 110.912 108.800 -0.036 0.000 2.205 456 G HA2 -0.252 3.723 3.960 0.025 0.000 0.261 456 G HA3 -0.252 3.723 3.960 0.025 0.000 0.261 456 G C 0.101 175.014 174.900 0.021 0.000 0.980 456 G CA 0.132 45.252 45.100 0.032 0.000 0.632 456 G HN 0.528 nan 8.290 nan 0.000 0.533 457 V N 1.584 121.496 119.914 -0.002 0.000 2.740 457 V HA 0.259 4.394 4.120 0.025 0.000 0.303 457 V C 1.541 177.623 176.094 -0.019 0.000 1.054 457 V CA -0.072 62.226 62.300 -0.003 0.000 1.106 457 V CB 1.205 33.008 31.823 -0.034 0.000 0.957 457 V HN 0.546 nan 8.190 nan 0.000 0.486 458 R N 2.642 123.136 120.500 -0.009 0.000 2.583 458 R HA -0.048 4.307 4.340 0.025 0.000 0.274 458 R C 1.412 177.686 176.300 -0.044 0.000 0.998 458 R CA 0.368 56.459 56.100 -0.015 0.000 1.081 458 R CB 0.182 30.478 30.300 -0.007 0.000 0.940 458 R HN 0.830 nan 8.270 nan 0.000 0.413 459 Q N 2.046 121.826 119.800 -0.034 0.000 2.135 459 Q HA -0.231 4.123 4.340 0.025 0.000 0.204 459 Q C 1.149 177.099 176.000 -0.084 0.000 0.981 459 Q CA 2.152 57.923 55.803 -0.053 0.000 0.856 459 Q CB 0.108 28.840 28.738 -0.011 0.000 0.902 459 Q HN 0.799 nan 8.270 nan 0.000 0.425 460 D N -0.736 119.631 120.400 -0.056 0.000 2.117 460 D HA -0.154 4.501 4.640 0.025 0.000 0.197 460 D C 1.788 178.036 176.300 -0.087 0.000 0.987 460 D CA 1.309 55.275 54.000 -0.056 0.000 0.829 460 D CB -0.527 40.256 40.800 -0.028 0.000 0.961 460 D HN 0.231 nan 8.370 nan 0.000 0.460 461 V N 0.842 120.706 119.914 -0.083 0.000 2.453 461 V HA -0.222 3.913 4.120 0.025 0.000 0.247 461 V C 2.793 178.764 176.094 -0.205 0.000 1.048 461 V CA 1.560 63.809 62.300 -0.084 0.000 1.049 461 V CB -0.726 31.087 31.823 -0.017 0.000 0.672 461 V HN 0.163 nan 8.190 nan 0.000 0.457 462 Q N 0.021 119.642 119.800 -0.298 0.000 2.096 462 Q HA -0.217 4.137 4.340 0.025 0.000 0.204 462 Q C 2.456 177.873 176.000 -0.971 0.000 0.982 462 Q CA 1.923 57.359 55.803 -0.611 0.000 0.850 462 Q CB -0.430 27.979 28.738 -0.548 0.000 0.901 462 Q HN 0.676 nan 8.270 nan 0.000 0.422 463 A N 1.195 123.661 122.820 -0.590 0.000 1.902 463 A HA -0.207 4.128 4.320 0.025 0.000 0.217 463 A C 1.987 179.439 177.584 -0.221 0.000 1.181 463 A CA 1.356 53.157 52.037 -0.393 0.000 0.623 463 A CB -0.407 18.531 19.000 -0.104 0.000 0.818 463 A HN 0.222 nan 8.150 nan 0.000 0.443 464 R N -0.649 119.751 120.500 -0.165 0.000 2.096 464 R HA -0.056 4.299 4.340 0.025 0.000 0.235 464 R C 2.426 178.696 176.300 -0.050 0.000 1.127 464 R CA 1.093 57.157 56.100 -0.059 0.000 0.968 464 R CB -0.418 29.864 30.300 -0.029 0.000 0.861 464 R HN 0.520 nan 8.270 nan 0.000 0.440 465 A N 0.813 123.527 122.820 -0.176 0.000 1.930 465 A HA -0.133 4.202 4.320 0.025 0.000 0.217 465 A C 1.726 179.406 177.584 0.159 0.000 1.175 465 A CA 1.080 53.043 52.037 -0.123 0.000 0.627 465 A CB -0.467 18.332 19.000 -0.334 0.000 0.815 465 A HN 0.151 nan 8.150 nan 0.000 0.443 466 F N 0.172 120.177 119.950 0.093 0.000 2.134 466 F HA -0.109 4.433 4.527 0.025 0.000 0.299 466 F C 2.283 178.157 175.800 0.123 0.000 1.097 466 F CA 1.081 59.158 58.000 0.127 0.000 1.264 466 F CB -1.037 37.998 39.000 0.059 0.000 1.001 466 F HN 0.458 nan 8.300 nan 0.000 0.479 467 E N -0.695 119.653 120.200 0.247 0.000 2.077 467 E HA -0.277 4.087 4.350 0.025 0.000 0.193 467 E C 2.294 178.933 176.600 0.066 0.000 0.989 467 E CA 1.102 57.575 56.400 0.123 0.000 0.800 467 E CB -0.501 29.246 29.700 0.078 0.000 0.746 467 E HN 0.449 nan 8.360 nan 0.000 0.452 468 Y N -0.314 119.945 120.300 -0.069 0.000 2.128 468 Y HA -0.254 4.310 4.550 0.024 0.000 0.284 468 Y C 1.671 177.399 175.900 -0.287 0.000 1.154 468 Y CA 2.251 60.234 58.100 -0.194 0.000 1.149 468 Y CB -0.516 37.824 38.460 -0.200 0.000 0.976 468 Y HN 0.142 nan 8.280 nan 0.000 0.505 469 W N 0.678 122.182 121.300 0.340 0.000 2.402 469 W HA -0.090 4.585 4.660 0.024 0.000 0.286 469 W C 2.331 178.888 176.519 0.062 0.000 1.221 469 W CA 1.239 58.722 57.345 0.230 0.000 1.257 469 W CB -0.135 29.485 29.460 0.267 0.000 1.120 469 W HN -0.092 nan 8.180 nan 0.000 0.551 470 K N 0.095 120.613 120.400 0.196 0.000 2.211 470 K HA -0.126 4.208 4.320 0.025 0.000 0.203 470 K C 1.565 178.105 176.600 -0.100 0.000 1.050 470 K CA 1.054 57.378 56.287 0.060 0.000 0.945 470 K CB -0.274 32.253 32.500 0.044 0.000 0.732 470 K HN 0.102 nan 8.250 nan 0.000 0.451 471 N N 0.519 119.033 118.700 -0.311 0.000 2.244 471 N HA -0.104 4.651 4.740 0.025 0.000 0.183 471 N C 1.778 176.976 175.510 -0.519 0.000 1.016 471 N CA 0.797 53.444 53.050 -0.671 0.000 0.866 471 N CB -0.135 37.413 38.487 -1.565 0.000 0.980 471 N HN -0.053 nan 8.380 nan 0.000 0.430 472 V N 0.118 119.866 119.914 -0.276 0.000 2.270 472 V HA -0.135 3.999 4.120 0.025 0.000 0.245 472 V C 0.437 176.548 176.094 0.027 0.000 1.043 472 V CA 1.437 63.743 62.300 0.010 0.000 1.014 472 V CB -0.311 31.640 31.823 0.213 0.000 0.645 472 V HN 0.290 nan 8.190 nan 0.000 0.447 473 D N -3.082 117.360 120.400 0.069 0.000 2.931 473 D HA 0.537 5.192 4.640 0.025 0.000 0.215 473 D C 0.392 176.724 176.300 0.054 0.000 1.297 473 D CA 0.307 54.334 54.000 0.044 0.000 0.892 473 D CB 1.583 42.413 40.800 0.049 0.000 1.642 473 D HN 0.093 nan 8.370 nan 0.000 0.560 474 A N 2.304 125.133 122.820 0.015 0.000 1.933 474 A HA -0.094 4.241 4.320 0.025 0.000 0.218 474 A C 1.844 179.444 177.584 0.026 0.000 1.175 474 A CA 2.018 54.064 52.037 0.014 0.000 0.628 474 A CB -0.583 18.413 19.000 -0.006 0.000 0.814 474 A HN 0.626 nan 8.150 nan 0.000 0.444 475 T N -0.276 114.292 114.554 0.023 0.000 2.770 475 T HA -0.068 4.297 4.350 0.025 0.000 0.263 475 T C 1.827 176.551 174.700 0.040 0.000 1.039 475 T CA 1.398 63.510 62.100 0.021 0.000 1.142 475 T CB -0.283 68.593 68.868 0.013 0.000 0.868 475 T HN 0.314 nan 8.240 nan 0.000 0.435 476 I N 1.587 122.199 120.570 0.070 0.000 2.315 476 I HA 0.009 4.193 4.170 0.025 0.000 0.248 476 I C 2.480 178.667 176.117 0.117 0.000 1.117 476 I CA 0.998 62.362 61.300 0.107 0.000 1.404 476 I CB -0.720 37.374 38.000 0.157 0.000 1.071 476 I HN 0.275 nan 8.210 nan 0.000 0.419 477 G N -0.841 108.052 108.800 0.155 0.000 2.418 477 G HA2 -0.335 3.640 3.960 0.025 0.000 0.217 477 G HA3 -0.335 3.640 3.960 0.025 0.000 0.217 477 G C 1.584 176.520 174.900 0.060 0.000 1.158 477 G CA 0.922 46.135 45.100 0.187 0.000 0.771 477 G HN 0.388 nan 8.290 nan 0.000 0.545 478 Q N 0.383 120.191 119.800 0.014 0.000 2.119 478 Q HA 0.046 4.401 4.340 0.025 0.000 0.201 478 Q C 2.640 178.597 176.000 -0.071 0.000 0.972 478 Q CA 1.211 56.983 55.803 -0.051 0.000 0.847 478 Q CB -0.237 28.479 28.738 -0.037 0.000 0.903 478 Q HN 0.493 nan 8.270 nan 0.000 0.433 479 R N -0.511 119.969 120.500 -0.033 0.000 2.081 479 R HA -0.072 4.283 4.340 0.025 0.000 0.235 479 R C 2.304 178.561 176.300 -0.072 0.000 1.131 479 R CA 1.572 57.648 56.100 -0.041 0.000 0.960 479 R CB -0.395 29.901 30.300 -0.007 0.000 0.856 479 R HN 0.323 nan 8.270 nan 0.000 0.436 480 I N 0.561 121.088 120.570 -0.072 0.000 2.179 480 I HA -0.278 3.907 4.170 0.025 0.000 0.242 480 I C 2.618 178.646 176.117 -0.149 0.000 1.088 480 I CA 1.370 62.604 61.300 -0.109 0.000 1.357 480 I CB -0.281 37.639 38.000 -0.134 0.000 1.051 480 I HN 0.268 nan 8.210 nan 0.000 0.409 481 E N 1.067 121.103 120.200 -0.272 0.000 2.058 481 E HA -0.283 4.081 4.350 0.025 0.000 0.194 481 E C 1.665 178.012 176.600 -0.423 0.000 0.997 481 E CA 1.822 57.798 56.400 -0.705 0.000 0.801 481 E CB 0.053 29.220 29.700 -0.888 0.000 0.746 481 E HN 0.397 nan 8.360 nan 0.000 0.450 482 D N 0.195 120.449 120.400 -0.245 0.000 2.117 482 D HA -0.188 4.467 4.640 0.025 0.000 0.197 482 D C 1.819 178.057 176.300 -0.104 0.000 0.987 482 D CA 1.270 55.179 54.000 -0.151 0.000 0.829 482 D CB -0.247 40.493 40.800 -0.101 0.000 0.961 482 D HN 0.359 nan 8.370 nan 0.000 0.460 483 E N 0.278 120.422 120.200 -0.094 0.000 2.106 483 E HA -0.108 4.256 4.350 0.025 0.000 0.192 483 E C 2.037 178.611 176.600 -0.044 0.000 0.984 483 E CA 0.572 56.935 56.400 -0.061 0.000 0.806 483 E CB 0.164 29.825 29.700 -0.066 0.000 0.750 483 E HN -0.028 nan 8.360 nan 0.000 0.458 484 V N 1.349 121.237 119.914 -0.042 0.000 2.343 484 V HA -0.256 3.878 4.120 0.025 0.000 0.247 484 V C 2.157 178.289 176.094 0.063 0.000 1.051 484 V CA 2.037 64.355 62.300 0.029 0.000 1.036 484 V CB -0.408 31.527 31.823 0.186 0.000 0.654 484 V HN 0.243 nan 8.190 nan 0.000 0.451 485 K N -0.253 120.156 120.400 0.016 0.000 2.280 485 K HA -0.079 4.256 4.320 0.025 0.000 0.202 485 K C 2.061 178.691 176.600 0.050 0.000 1.047 485 K CA 0.943 57.253 56.287 0.038 0.000 0.942 485 K CB -0.143 32.342 32.500 -0.026 0.000 0.739 485 K HN 0.404 nan 8.250 nan 0.000 0.457 486 R N -0.357 120.166 120.500 0.037 0.000 2.317 486 R HA 0.039 4.394 4.340 0.025 0.000 0.208 486 R C -0.244 176.132 176.300 0.127 0.000 0.914 486 R CA 0.039 56.171 56.100 0.053 0.000 1.060 486 R CB -0.068 30.243 30.300 0.019 0.000 1.015 486 R HN 0.300 nan 8.270 nan 0.000 0.498 487 H N 0.525 119.593 119.070 -0.002 0.000 2.770 487 H HA -0.156 4.415 4.556 0.025 0.000 0.309 487 H C -0.899 174.425 175.328 -0.007 0.000 1.206 487 H CA 0.690 56.738 56.048 0.000 0.000 1.147 487 H CB -0.900 28.863 29.762 0.002 0.000 1.422 487 H HN 0.414 nan 8.280 nan 0.000 0.420 488 E N -0.798 119.390 120.200 -0.020 0.000 2.264 488 E HA 0.711 5.076 4.350 0.025 0.000 0.260 488 E C 0.590 177.143 176.600 -0.078 0.000 0.961 488 E CA -0.179 56.200 56.400 -0.035 0.000 0.834 488 E CB 2.263 31.953 29.700 -0.017 0.000 1.230 488 E HN 0.510 nan 8.360 nan 0.000 0.412 489 G N 1.164 109.925 108.800 -0.064 0.000 2.326 489 G HA2 -0.023 3.952 3.960 0.025 0.000 0.413 489 G HA3 -0.023 3.952 3.960 0.025 0.000 0.413 489 G C -1.567 173.298 174.900 -0.057 0.000 1.444 489 G CA -1.055 44.003 45.100 -0.070 0.000 1.002 489 G HN 0.403 nan 8.290 nan 0.000 0.649 490 D N -0.205 120.165 120.400 -0.050 0.000 2.344 490 D HA 0.507 5.162 4.640 0.025 0.000 0.244 490 D C 1.149 177.430 176.300 -0.031 0.000 1.134 490 D CA 1.037 55.017 54.000 -0.035 0.000 0.930 490 D CB 1.087 41.870 40.800 -0.028 0.000 1.175 490 D HN 0.767 nan 8.370 nan 0.000 0.437 491 G N 0.672 109.458 108.800 -0.024 0.000 2.406 491 G HA2 0.385 4.360 3.960 0.025 0.000 0.251 491 G HA3 0.385 4.360 3.960 0.025 0.000 0.251 491 G C -0.207 174.683 174.900 -0.017 0.000 1.271 491 G CA -0.424 44.662 45.100 -0.022 0.000 0.859 491 G HN 0.308 nan 8.290 nan 0.000 0.540 492 I N 3.737 124.294 120.570 -0.021 0.000 2.339 492 I HA 0.267 4.452 4.170 0.025 0.000 0.290 492 I C -2.026 174.055 176.117 -0.059 0.000 0.994 492 I CA -3.251 58.040 61.300 -0.015 0.000 1.191 492 I CB 1.406 39.411 38.000 0.010 0.000 1.343 492 I HN 0.264 nan 8.210 nan 0.000 0.458 493 P HA 0.184 nan 4.420 nan 0.000 0.266 493 P C 0.857 177.960 177.300 -0.329 0.000 1.215 493 P CA 0.563 63.629 63.100 -0.057 0.000 0.763 493 P CB 0.751 32.515 31.700 0.106 0.000 0.806 494 G N 1.405 109.761 108.800 -0.738 0.000 2.213 494 G HA2 -0.141 3.834 3.960 0.025 0.000 0.226 494 G HA3 -0.141 3.834 3.960 0.025 0.000 0.226 494 G C -0.288 174.040 174.900 -0.953 0.000 0.992 494 G CA 0.036 44.137 45.100 -1.664 0.000 0.632 494 G HN 0.755 nan 8.290 nan 0.000 0.511 495 V N 0.731 120.363 119.914 -0.470 0.000 3.147 495 V HA 0.761 4.896 4.120 0.025 0.000 0.299 495 V C -0.926 175.076 176.094 -0.153 0.000 1.302 495 V CA 0.439 62.564 62.300 -0.292 0.000 1.015 495 V CB 2.009 33.691 31.823 -0.235 0.000 1.086 495 V HN 1.066 nan 8.190 nan 0.000 0.437 496 E N 4.414 124.550 120.200 -0.106 0.000 2.435 496 E HA 0.910 5.274 4.350 0.025 0.000 0.272 496 E C -1.143 175.442 176.600 -0.025 0.000 1.031 496 E CA -0.702 55.669 56.400 -0.049 0.000 0.872 496 E CB 2.124 31.795 29.700 -0.048 0.000 1.588 496 E HN 1.278 nan 8.360 nan 0.000 0.460 497 A N -0.264 122.554 122.820 -0.003 0.000 2.532 497 A HA 0.908 5.243 4.320 0.025 0.000 0.290 497 A C 0.178 177.767 177.584 0.010 0.000 1.143 497 A CA -0.230 51.813 52.037 0.009 0.000 0.728 497 A CB 1.201 20.222 19.000 0.036 0.000 1.317 497 A HN 1.624 nan 8.150 nan 0.000 0.414 498 G N -1.242 107.565 108.800 0.011 0.000 2.707 498 G HA2 0.603 4.578 3.960 0.025 0.000 0.686 498 G HA3 0.603 4.578 3.960 0.025 0.000 0.686 498 G C 1.018 175.924 174.900 0.011 0.000 1.315 498 G CA 0.514 45.624 45.100 0.017 0.000 0.832 498 G HN 3.141 nan 8.290 nan 0.000 0.573 499 G N -0.978 107.829 108.800 0.013 0.000 2.707 499 G HA2 0.272 4.247 3.960 0.025 0.000 0.686 499 G HA3 0.272 4.247 3.960 0.025 0.000 0.686 499 G C 0.305 175.206 174.900 0.003 0.000 1.315 499 G CA 0.742 45.847 45.100 0.008 0.000 0.832 499 G HN 1.645 nan 8.290 nan 0.000 0.573 500 E N -0.030 120.171 120.200 0.001 0.000 2.409 500 E HA 0.268 4.632 4.350 0.025 0.000 0.198 500 E C 2.357 178.955 176.600 -0.003 0.000 1.024 500 E CA 1.562 57.962 56.400 -0.001 0.000 0.861 500 E CB 0.018 29.718 29.700 -0.000 0.000 0.788 500 E HN 1.079 nan 8.360 nan 0.000 0.521 501 A N 0.141 122.958 122.820 -0.005 0.000 2.387 501 A HA 0.265 4.600 4.320 0.025 0.000 0.234 501 A C 0.617 178.193 177.584 -0.013 0.000 1.253 501 A CA -0.130 51.902 52.037 -0.008 0.000 0.894 501 A CB 0.280 19.275 19.000 -0.008 0.000 0.963 501 A HN -0.033 nan 8.150 nan 0.000 0.508 502 R N -1.317 119.176 120.500 -0.011 0.000 2.922 502 R HA 0.643 4.998 4.340 0.025 0.000 0.256 502 R C -0.566 175.728 176.300 -0.010 0.000 1.138 502 R CA -0.902 55.189 56.100 -0.015 0.000 0.995 502 R CB 0.998 31.289 30.300 -0.015 0.000 1.226 502 R HN 0.231 nan 8.270 nan 0.000 0.481 503 I N 0.000 120.563 120.570 -0.012 0.000 2.984 503 I HA 0.000 4.185 4.170 0.025 0.000 0.288 503 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 503 I CB 0.000 37.995 38.000 -0.008 0.000 1.214 503 I HN 0.000 nan 8.210 nan 0.000 0.494