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 2d22_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVSHAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.010 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 2 E N 0.115 120.308 120.200 -0.013 0.000 2.933 2 E HA 0.128 4.479 4.350 0.001 0.000 0.175 2 E C 0.392 176.980 176.600 -0.020 0.000 0.932 2 E CA 0.522 56.910 56.400 -0.021 0.000 1.340 2 E CB 0.116 29.803 29.700 -0.021 0.000 1.025 2 E HN 0.797 nan 8.360 nan 0.000 0.461 3 S N 0.184 115.879 115.700 -0.008 0.000 2.535 3 S HA 0.060 4.531 4.470 0.001 0.000 0.214 3 S C 0.942 175.564 174.600 0.037 0.000 0.980 3 S CA 0.437 58.644 58.200 0.012 0.000 0.907 3 S CB 0.031 63.237 63.200 0.010 0.000 0.790 3 S HN 0.307 nan 8.310 nan 0.000 0.510 4 T N -1.130 113.427 114.554 0.004 0.000 2.916 4 T HA 0.646 4.997 4.350 0.001 0.000 0.292 4 T C 0.921 175.568 174.700 -0.089 0.000 1.055 4 T CA -0.957 61.145 62.100 0.004 0.000 1.009 4 T CB 1.238 70.093 68.868 -0.021 0.000 1.118 4 T HN 0.019 nan 8.240 nan 0.000 0.497 5 L N 1.345 122.455 121.223 -0.188 0.000 1.989 5 L HA 0.064 4.405 4.340 0.001 0.000 0.211 5 L C 3.019 179.821 176.870 -0.114 0.000 1.071 5 L CA 1.915 56.534 54.840 -0.367 0.000 0.749 5 L CB -1.158 40.468 42.059 -0.722 0.000 0.890 5 L HN 0.979 nan 8.230 nan 0.000 0.431 6 G N -0.342 108.465 108.800 0.012 0.000 2.446 6 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 6 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 6 G C 1.767 176.722 174.900 0.092 0.000 1.168 6 G CA 0.938 46.131 45.100 0.155 0.000 0.771 6 G HN 0.480 nan 8.290 nan 0.000 0.551 7 A N 1.057 123.895 122.820 0.030 0.000 1.933 7 A HA 0.272 4.592 4.320 0.001 0.000 0.218 7 A C 2.812 180.403 177.584 0.012 0.000 1.175 7 A CA 2.263 54.311 52.037 0.019 0.000 0.628 7 A CB -0.742 18.257 19.000 -0.001 0.000 0.814 7 A HN 0.820 nan 8.150 nan 0.000 0.444 8 A N -0.151 122.660 122.820 -0.014 0.000 1.902 8 A HA 0.174 4.494 4.320 0.001 0.000 0.217 8 A C 2.489 180.078 177.584 0.008 0.000 1.181 8 A CA 2.020 54.041 52.037 -0.027 0.000 0.623 8 A CB -0.955 17.994 19.000 -0.085 0.000 0.818 8 A HN 1.036 nan 8.150 nan 0.000 0.443 9 A N -0.163 122.688 122.820 0.051 0.000 1.930 9 A HA 0.208 4.529 4.320 0.001 0.000 0.217 9 A C 2.442 180.068 177.584 0.071 0.000 1.175 9 A CA 1.823 53.917 52.037 0.095 0.000 0.627 9 A CB -0.941 18.183 19.000 0.207 0.000 0.815 9 A HN 1.090 nan 8.150 nan 0.000 0.443 10 A N -0.593 122.273 122.820 0.076 0.000 2.076 10 A HA -0.213 4.107 4.320 0.001 0.000 0.220 10 A C 1.994 179.600 177.584 0.038 0.000 1.160 10 A CA 1.568 53.644 52.037 0.064 0.000 0.653 10 A CB -0.549 18.487 19.000 0.061 0.000 0.801 10 A HN 0.680 nan 8.150 nan 0.000 0.455 11 Q N -0.039 119.776 119.800 0.026 0.000 2.226 11 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 11 Q C 1.686 177.694 176.000 0.013 0.000 0.975 11 Q CA 1.559 57.370 55.803 0.014 0.000 0.866 11 Q CB -0.147 28.594 28.738 0.005 0.000 0.915 11 Q HN 0.812 nan 8.270 nan 0.000 0.440 12 S N -2.127 113.583 115.700 0.016 0.000 2.602 12 S HA 0.387 4.858 4.470 0.001 0.000 0.240 12 S C 1.032 175.640 174.600 0.013 0.000 0.992 12 S CA 0.045 58.251 58.200 0.010 0.000 0.971 12 S CB 0.995 64.198 63.200 0.003 0.000 0.855 12 S HN 0.431 nan 8.310 nan 0.000 0.481 13 G N 1.455 110.270 108.800 0.025 0.000 2.148 13 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 13 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 13 G C 0.092 175.017 174.900 0.041 0.000 0.981 13 G CA 0.093 45.215 45.100 0.035 0.000 0.670 13 G HN 0.617 nan 8.290 nan 0.000 0.528 14 R N -1.035 119.483 120.500 0.030 0.000 2.797 14 R HA 0.720 5.060 4.340 0.001 0.000 0.251 14 R C 0.075 176.423 176.300 0.079 0.000 1.107 14 R CA -0.622 55.468 56.100 -0.016 0.000 1.084 14 R CB 0.825 31.075 30.300 -0.085 0.000 1.205 14 R HN 0.468 nan 8.270 nan 0.000 0.515 15 Y N -1.518 118.835 120.300 0.088 0.000 2.598 15 Y HA 0.689 5.239 4.550 0.001 0.000 0.340 15 Y C -1.192 174.812 175.900 0.174 0.000 1.038 15 Y CA -1.760 56.411 58.100 0.119 0.000 1.100 15 Y CB 1.085 39.590 38.460 0.075 0.000 1.281 15 Y HN 0.427 nan 8.280 nan 0.000 0.488 16 F N 1.369 121.566 119.950 0.413 0.000 2.612 16 F HA 0.769 5.297 4.527 0.001 0.000 0.332 16 F C -0.075 176.045 175.800 0.533 0.000 1.167 16 F CA -0.717 57.519 58.000 0.394 0.000 0.970 16 F CB 1.492 40.649 39.000 0.261 0.000 1.234 16 F HN 0.953 nan 8.300 nan 0.000 0.453 17 G N 2.030 111.025 108.800 0.325 0.000 3.013 17 G HA2 0.640 4.601 3.960 0.001 0.000 0.278 17 G HA3 0.640 4.601 3.960 0.001 0.000 0.278 17 G C -1.354 173.390 174.900 -0.259 0.000 1.353 17 G CA -0.696 44.503 45.100 0.165 0.000 1.043 17 G HN 0.623 nan 8.290 nan 0.000 0.523 18 T N -2.026 112.205 114.554 -0.538 0.000 2.787 18 T HA 0.637 4.988 4.350 0.001 0.000 0.297 18 T C -1.041 173.349 174.700 -0.517 0.000 1.221 18 T CA 0.189 61.850 62.100 -0.732 0.000 1.006 18 T CB 1.372 69.368 68.868 -1.454 0.000 1.328 18 T HN 1.261 nan 8.240 nan 0.000 0.509 19 A N 2.616 125.059 122.820 -0.628 0.000 2.274 19 A HA 0.712 5.033 4.320 0.001 0.000 0.309 19 A C -0.454 176.809 177.584 -0.535 0.000 1.226 19 A CA -0.582 50.967 52.037 -0.815 0.000 0.853 19 A CB 0.086 18.023 19.000 -1.771 0.000 1.146 19 A HN 0.654 nan 8.150 nan 0.000 0.518 20 I N 1.885 122.231 120.570 -0.373 0.000 2.412 20 I HA 0.493 4.663 4.170 0.001 0.000 0.296 20 I C 0.537 176.538 176.117 -0.194 0.000 0.987 20 I CA -0.244 60.919 61.300 -0.228 0.000 1.180 20 I CB 1.413 39.274 38.000 -0.231 0.000 1.340 20 I HN 0.706 nan 8.210 nan 0.000 0.455 21 A N 4.152 126.879 122.820 -0.156 0.000 2.271 21 A HA 0.452 4.773 4.320 0.001 0.000 0.317 21 A C 1.033 178.487 177.584 -0.216 0.000 1.245 21 A CA -0.287 51.635 52.037 -0.191 0.000 0.857 21 A CB 0.714 19.576 19.000 -0.230 0.000 1.175 21 A HN 0.834 nan 8.150 nan 0.000 0.512 22 S N 2.559 118.174 115.700 -0.140 0.000 2.402 22 S HA -0.143 4.327 4.470 0.001 0.000 0.233 22 S C 1.727 176.236 174.600 -0.151 0.000 1.030 22 S CA 1.640 59.768 58.200 -0.121 0.000 1.003 22 S CB -0.612 62.566 63.200 -0.036 0.000 0.813 22 S HN 1.241 nan 8.310 nan 0.000 0.477 23 G N 1.158 109.864 108.800 -0.157 0.000 2.625 23 G HA2 -0.003 3.958 3.960 0.001 0.000 0.214 23 G HA3 -0.003 3.958 3.960 0.001 0.000 0.214 23 G C 1.297 176.051 174.900 -0.244 0.000 1.132 23 G CA 0.259 45.263 45.100 -0.160 0.000 0.782 23 G HN 0.616 nan 8.290 nan 0.000 0.538 24 K N -0.376 119.786 120.400 -0.397 0.000 2.358 24 K HA 0.339 4.659 4.320 0.001 0.000 0.200 24 K C 1.675 177.997 176.600 -0.463 0.000 1.030 24 K CA -0.330 55.584 56.287 -0.621 0.000 1.097 24 K CB 0.360 32.040 32.500 -1.367 0.000 0.862 24 K HN 0.214 nan 8.250 nan 0.000 0.534 25 L N 0.294 121.338 121.223 -0.298 0.000 2.456 25 L HA -0.040 4.300 4.340 0.001 0.000 0.224 25 L C 1.852 178.676 176.870 -0.077 0.000 1.148 25 L CA 0.911 55.624 54.840 -0.211 0.000 0.825 25 L CB -0.175 41.733 42.059 -0.251 0.000 0.937 25 L HN 0.273 nan 8.230 nan 0.000 0.450 26 G N -1.793 106.958 108.800 -0.081 0.000 3.088 26 G HA2 -0.097 3.863 3.960 0.001 0.000 0.217 26 G HA3 -0.097 3.863 3.960 0.001 0.000 0.217 26 G C 0.163 175.051 174.900 -0.020 0.000 1.159 26 G CA -0.198 44.885 45.100 -0.029 0.000 0.760 26 G HN 0.123 nan 8.290 nan 0.000 0.550 27 D N 0.601 120.979 120.400 -0.036 0.000 2.380 27 D HA 0.295 4.935 4.640 0.001 0.000 0.230 27 D C 1.299 177.637 176.300 0.064 0.000 1.154 27 D CA -0.208 53.788 54.000 -0.006 0.000 0.859 27 D CB 1.294 42.060 40.800 -0.058 0.000 1.045 27 D HN -0.049 nan 8.370 nan 0.000 0.495 28 S N 2.604 118.335 115.700 0.051 0.000 2.370 28 S HA -0.203 4.267 4.470 0.001 0.000 0.226 28 S C 1.960 176.596 174.600 0.060 0.000 1.033 28 S CA 1.334 59.570 58.200 0.060 0.000 1.011 28 S CB 0.001 63.225 63.200 0.039 0.000 0.852 28 S HN 0.699 nan 8.310 nan 0.000 0.457 29 A N 0.368 123.219 122.820 0.052 0.000 1.902 29 A HA -0.127 4.194 4.320 0.001 0.000 0.217 29 A C 1.946 179.555 177.584 0.042 0.000 1.181 29 A CA 1.610 53.668 52.037 0.034 0.000 0.623 29 A CB -0.913 18.107 19.000 0.033 0.000 0.818 29 A HN 0.591 nan 8.150 nan 0.000 0.443 30 Y N 1.718 121.979 120.300 -0.064 0.000 2.114 30 Y HA -0.235 4.315 4.550 0.001 0.000 0.284 30 Y C 2.950 178.805 175.900 -0.075 0.000 1.143 30 Y CA 2.771 60.816 58.100 -0.092 0.000 1.135 30 Y CB -0.655 37.736 38.460 -0.115 0.000 0.980 30 Y HN 0.435 nan 8.280 nan 0.000 0.499 31 T N -3.656 110.958 114.554 0.100 0.000 2.915 31 T HA -0.139 4.211 4.350 0.001 0.000 0.269 31 T C 1.782 176.551 174.700 0.115 0.000 1.071 31 T CA 1.635 63.805 62.100 0.116 0.000 1.132 31 T CB -0.985 68.041 68.868 0.264 0.000 0.878 31 T HN 0.335 nan 8.240 nan 0.000 0.479 32 T N 2.096 116.673 114.554 0.039 0.000 2.746 32 T HA 0.104 4.455 4.350 0.001 0.000 0.267 32 T C 1.871 176.530 174.700 -0.069 0.000 1.039 32 T CA 1.315 63.416 62.100 0.001 0.000 1.142 32 T CB -0.393 68.465 68.868 -0.016 0.000 0.866 32 T HN 0.418 nan 8.240 nan 0.000 0.444 33 I N 1.100 121.569 120.570 -0.167 0.000 2.233 33 I HA -0.098 4.072 4.170 0.001 0.000 0.243 33 I C 2.934 178.912 176.117 -0.232 0.000 1.093 33 I CA 0.997 62.098 61.300 -0.332 0.000 1.380 33 I CB -0.488 37.149 38.000 -0.606 0.000 1.067 33 I HN 0.168 nan 8.210 nan 0.000 0.413 34 A N 0.931 123.665 122.820 -0.143 0.000 1.902 34 A HA -0.235 4.085 4.320 0.001 0.000 0.217 34 A C 2.505 180.301 177.584 0.353 0.000 1.181 34 A CA 2.369 54.493 52.037 0.144 0.000 0.623 34 A CB -0.879 18.023 19.000 -0.164 0.000 0.818 34 A HN 0.535 nan 8.150 nan 0.000 0.443 35 S N -0.547 115.331 115.700 0.297 0.000 2.406 35 S HA -0.147 4.323 4.470 0.001 0.000 0.228 35 S C 2.035 176.641 174.600 0.010 0.000 1.020 35 S CA 1.139 59.417 58.200 0.130 0.000 0.965 35 S CB -0.388 62.841 63.200 0.048 0.000 0.798 35 S HN 0.636 nan 8.310 nan 0.000 0.488 36 R N 1.023 121.509 120.500 -0.024 0.000 2.075 36 R HA 0.045 4.386 4.340 0.001 0.000 0.226 36 R C 1.685 177.918 176.300 -0.112 0.000 1.114 36 R CA 1.324 57.383 56.100 -0.069 0.000 0.972 36 R CB -0.037 30.215 30.300 -0.079 0.000 0.869 36 R HN 0.387 nan 8.270 nan 0.000 0.437 37 E N -0.510 119.546 120.200 -0.240 0.000 2.340 37 E HA 0.042 4.393 4.350 0.001 0.000 0.194 37 E C -0.342 175.921 176.600 -0.562 0.000 0.996 37 E CA 0.389 56.507 56.400 -0.469 0.000 0.869 37 E CB 0.360 29.594 29.700 -0.777 0.000 0.835 37 E HN 0.128 nan 8.360 nan 0.000 0.493 38 F N 1.627 121.654 119.950 0.129 0.000 2.508 38 F HA 0.246 4.774 4.527 0.001 0.000 0.325 38 F C 0.874 176.736 175.800 0.103 0.000 1.090 38 F CA -1.220 56.882 58.000 0.170 0.000 0.945 38 F CB 0.998 40.100 39.000 0.169 0.000 1.156 38 F HN -0.184 nan 8.300 nan 0.000 0.463 39 N N 1.007 119.891 118.700 0.307 0.000 2.235 39 N HA 0.350 5.090 4.740 0.001 0.000 0.231 39 N C -0.716 174.844 175.510 0.083 0.000 1.177 39 N CA -0.117 53.025 53.050 0.153 0.000 0.874 39 N CB 0.767 39.330 38.487 0.127 0.000 1.097 39 N HN 0.574 nan 8.380 nan 0.000 0.518 40 M N 0.290 119.941 119.600 0.084 0.000 2.371 40 M HA 0.547 5.028 4.480 0.001 0.000 0.287 40 M C -2.260 173.985 176.300 -0.092 0.000 1.149 40 M CA -0.773 54.448 55.300 -0.130 0.000 0.929 40 M CB 2.307 34.643 32.600 -0.441 0.000 1.683 40 M HN -0.164 nan 8.290 nan 0.000 0.470 41 V N 3.038 122.871 119.914 -0.136 0.000 2.735 41 V HA 0.817 4.937 4.120 0.001 0.000 0.310 41 V C -0.703 175.290 176.094 -0.168 0.000 1.061 41 V CA -0.502 61.731 62.300 -0.112 0.000 0.913 41 V CB 2.556 34.385 31.823 0.011 0.000 1.005 41 V HN 0.900 nan 8.190 nan 0.000 0.428 42 T N 3.272 117.708 114.554 -0.196 0.000 2.848 42 T HA 0.645 4.995 4.350 0.001 0.000 0.285 42 T C -0.050 174.541 174.700 -0.181 0.000 0.995 42 T CA -0.292 61.694 62.100 -0.190 0.000 0.970 42 T CB 1.666 70.428 68.868 -0.176 0.000 0.976 42 T HN 0.949 nan 8.240 nan 0.000 0.441 43 A N 2.046 124.826 122.820 -0.067 0.000 2.451 43 A HA 0.273 4.594 4.320 0.001 0.000 0.266 43 A C 1.383 178.991 177.584 0.040 0.000 1.119 43 A CA -0.322 51.704 52.037 -0.018 0.000 0.786 43 A CB -0.028 19.007 19.000 0.059 0.000 1.061 43 A HN 1.066 nan 8.150 nan 0.000 0.503 44 E N 2.187 122.321 120.200 -0.111 0.000 2.118 44 E HA -0.189 4.162 4.350 0.001 0.000 0.195 44 E C 0.681 177.415 176.600 0.223 0.000 0.992 44 E CA 1.814 58.161 56.400 -0.088 0.000 0.804 44 E CB 0.074 29.596 29.700 -0.297 0.000 0.741 44 E HN 0.810 nan 8.360 nan 0.000 0.458 45 N N -1.279 117.502 118.700 0.134 0.000 1.952 45 N HA -0.017 4.723 4.740 0.001 0.000 0.231 45 N C 0.654 176.233 175.510 0.114 0.000 1.378 45 N CA 0.168 53.298 53.050 0.133 0.000 0.828 45 N CB 0.383 38.926 38.487 0.094 0.000 1.097 45 N HN -0.013 nan 8.380 nan 0.000 0.476 46 E N 0.752 121.017 120.200 0.109 0.000 2.401 46 E HA 0.070 4.421 4.350 0.001 0.000 0.199 46 E C 1.105 177.823 176.600 0.195 0.000 1.023 46 E CA 0.928 57.407 56.400 0.132 0.000 0.859 46 E CB -0.022 29.751 29.700 0.121 0.000 0.780 46 E HN 0.354 nan 8.360 nan 0.000 0.523 47 M N -0.267 119.454 119.600 0.201 0.000 2.412 47 M HA 0.162 4.643 4.480 0.001 0.000 0.315 47 M C -0.042 176.427 176.300 0.281 0.000 1.092 47 M CA -0.106 55.369 55.300 0.291 0.000 0.974 47 M CB 0.667 33.424 32.600 0.261 0.000 1.437 47 M HN -0.159 nan 8.290 nan 0.000 0.524 48 K N 0.485 120.994 120.400 0.183 0.000 2.118 48 K HA 0.295 4.615 4.320 0.001 0.000 0.240 48 K C 1.104 177.856 176.600 0.254 0.000 1.035 48 K CA -0.281 56.117 56.287 0.184 0.000 0.899 48 K CB 1.210 33.805 32.500 0.158 0.000 1.085 48 K HN 0.066 nan 8.250 nan 0.000 0.498 49 I N 1.177 121.866 120.570 0.198 0.000 2.179 49 I HA -0.311 3.860 4.170 0.001 0.000 0.242 49 I C 1.970 178.093 176.117 0.009 0.000 1.088 49 I CA 1.458 62.753 61.300 -0.007 0.000 1.357 49 I CB -0.527 37.269 38.000 -0.340 0.000 1.051 49 I HN 0.721 nan 8.210 nan 0.000 0.409 50 D N 1.795 122.174 120.400 -0.035 0.000 2.178 50 D HA -0.158 4.483 4.640 0.001 0.000 0.202 50 D C 1.985 178.313 176.300 0.046 0.000 0.974 50 D CA 1.489 55.472 54.000 -0.027 0.000 0.841 50 D CB -0.339 40.415 40.800 -0.076 0.000 0.953 50 D HN 0.349 nan 8.370 nan 0.000 0.478 51 A N 0.431 123.298 122.820 0.077 0.000 1.970 51 A HA -0.027 4.293 4.320 0.001 0.000 0.216 51 A C 2.302 179.933 177.584 0.079 0.000 1.170 51 A CA 2.014 54.100 52.037 0.082 0.000 0.645 51 A CB -0.742 18.321 19.000 0.105 0.000 0.816 51 A HN 0.449 nan 8.150 nan 0.000 0.447 52 T N -3.792 110.848 114.554 0.144 0.000 3.037 52 T HA 0.206 4.556 4.350 0.001 0.000 0.252 52 T C 0.623 175.371 174.700 0.081 0.000 1.073 52 T CA 0.748 62.887 62.100 0.066 0.000 1.091 52 T CB 0.153 69.175 68.868 0.258 0.000 0.935 52 T HN 0.390 nan 8.240 nan 0.000 0.488 53 E N 1.830 122.146 120.200 0.193 0.000 3.626 53 E HA 0.221 4.571 4.350 0.001 0.000 0.245 53 E C -2.075 174.654 176.600 0.215 0.000 1.236 53 E CA -1.970 54.487 56.400 0.094 0.000 1.072 53 E CB 1.457 31.309 29.700 0.253 0.000 1.309 53 E HN 0.155 nan 8.360 nan 0.000 0.400 54 P HA -0.162 nan 4.420 nan 0.000 0.218 54 P C -0.041 177.379 177.300 0.199 0.000 1.148 54 P CA 1.060 64.247 63.100 0.146 0.000 0.822 54 P CB 0.448 32.168 31.700 0.033 0.000 0.784 55 Q N -1.033 118.721 119.800 -0.077 0.000 2.356 55 Q HA 0.383 4.724 4.340 0.001 0.000 0.270 55 Q C -0.309 175.157 176.000 -0.890 0.000 1.058 55 Q CA -0.742 54.800 55.803 -0.436 0.000 0.802 55 Q CB 1.775 30.332 28.738 -0.302 0.000 1.303 55 Q HN -0.087 nan 8.270 nan 0.000 0.444 56 R N 0.950 120.395 120.500 -1.757 0.000 2.501 56 R HA 0.137 4.478 4.340 0.001 0.000 0.319 56 R C 0.639 176.420 176.300 -0.865 0.000 0.913 56 R CA 1.748 56.753 56.100 -1.826 0.000 1.104 56 R CB -0.466 28.884 30.300 -1.583 0.000 0.901 56 R HN 0.935 nan 8.270 nan 0.000 0.407 57 G N 3.107 111.470 108.800 -0.728 0.000 2.179 57 G HA2 -0.244 3.716 3.960 0.001 0.000 0.260 57 G HA3 -0.244 3.716 3.960 0.001 0.000 0.260 57 G C -0.247 174.356 174.900 -0.495 0.000 0.977 57 G CA 0.088 44.886 45.100 -0.504 0.000 0.641 57 G HN 0.576 nan 8.290 nan 0.000 0.533 58 Q N 0.336 119.799 119.800 -0.563 0.000 2.506 58 Q HA 0.564 4.904 4.340 0.001 0.000 0.242 58 Q C -0.305 175.457 176.000 -0.397 0.000 1.060 58 Q CA -0.406 55.181 55.803 -0.360 0.000 0.826 58 Q CB 0.295 28.875 28.738 -0.264 0.000 1.169 58 Q HN 0.332 nan 8.270 nan 0.000 0.521 59 F N 1.596 121.455 119.950 -0.151 0.000 2.389 59 F HA 0.281 4.808 4.527 0.001 0.000 0.337 59 F C 1.134 176.668 175.800 -0.443 0.000 1.112 59 F CA -0.185 57.616 58.000 -0.333 0.000 1.192 59 F CB 0.791 39.587 39.000 -0.339 0.000 1.185 59 F HN 0.266 nan 8.300 nan 0.000 0.552 60 N N 2.587 121.005 118.700 -0.470 0.000 2.500 60 N HA 0.214 4.954 4.740 0.001 0.000 0.291 60 N C -1.189 174.012 175.510 -0.515 0.000 1.092 60 N CA -0.301 52.538 53.050 -0.352 0.000 0.890 60 N CB 0.695 39.095 38.487 -0.146 0.000 1.466 60 N HN 0.397 nan 8.380 nan 0.000 0.507 61 F N 1.423 121.352 119.950 -0.035 0.000 2.708 61 F HA 0.263 4.790 4.527 0.001 0.000 0.300 61 F C 2.096 177.946 175.800 0.083 0.000 1.118 61 F CA -0.301 57.685 58.000 -0.023 0.000 1.307 61 F CB 0.285 39.053 39.000 -0.387 0.000 0.986 61 F HN 0.428 nan 8.300 nan 0.000 0.522 62 S N 1.046 116.848 115.700 0.170 0.000 2.351 62 S HA -0.225 4.245 4.470 0.001 0.000 0.220 62 S C 2.459 177.164 174.600 0.175 0.000 1.035 62 S CA 1.832 60.127 58.200 0.157 0.000 1.031 62 S CB -0.231 63.026 63.200 0.093 0.000 0.928 62 S HN 0.376 nan 8.310 nan 0.000 0.433 63 A N 0.637 123.548 122.820 0.151 0.000 1.897 63 A HA 0.207 4.527 4.320 0.001 0.000 0.215 63 A C 2.373 180.078 177.584 0.203 0.000 1.181 63 A CA 1.665 53.786 52.037 0.141 0.000 0.620 63 A CB -1.600 17.459 19.000 0.099 0.000 0.821 63 A HN 0.642 nan 8.150 nan 0.000 0.443 64 G N -0.115 108.858 108.800 0.288 0.000 2.418 64 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 64 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 64 G C 1.100 176.274 174.900 0.457 0.000 1.158 64 G CA 1.269 46.601 45.100 0.387 0.000 0.771 64 G HN 0.444 nan 8.290 nan 0.000 0.545 65 D N 0.102 120.797 120.400 0.491 0.000 2.178 65 D HA -0.007 4.634 4.640 0.001 0.000 0.202 65 D C 2.659 179.186 176.300 0.378 0.000 0.974 65 D CA 0.365 54.659 54.000 0.490 0.000 0.841 65 D CB -0.156 40.888 40.800 0.406 0.000 0.953 65 D HN 0.238 nan 8.370 nan 0.000 0.478 66 R N 0.238 120.904 120.500 0.277 0.000 2.092 66 R HA -0.045 4.296 4.340 0.001 0.000 0.231 66 R C 2.239 178.677 176.300 0.230 0.000 1.119 66 R CA 0.620 56.851 56.100 0.219 0.000 0.970 66 R CB -0.268 30.122 30.300 0.149 0.000 0.864 66 R HN 0.121 nan 8.270 nan 0.000 0.440 67 V N 0.156 120.196 119.914 0.210 0.000 2.323 67 V HA -0.252 3.868 4.120 0.001 0.000 0.244 67 V C 1.967 178.196 176.094 0.226 0.000 1.041 67 V CA 1.608 64.014 62.300 0.177 0.000 1.025 67 V CB -0.645 31.239 31.823 0.102 0.000 0.656 67 V HN 0.284 nan 8.190 nan 0.000 0.451 68 Y N 2.007 122.389 120.300 0.138 0.000 2.128 68 Y HA -0.245 4.305 4.550 0.001 0.000 0.284 68 Y C 2.526 178.500 175.900 0.123 0.000 1.154 68 Y CA 2.108 60.266 58.100 0.095 0.000 1.149 68 Y CB -0.403 38.136 38.460 0.131 0.000 0.976 68 Y HN 0.274 nan 8.280 nan 0.000 0.505 69 N N -0.423 118.341 118.700 0.107 0.000 2.120 69 N HA -0.235 4.505 4.740 0.001 0.000 0.188 69 N C 1.606 177.095 175.510 -0.034 0.000 1.024 69 N CA 1.596 54.643 53.050 -0.006 0.000 0.852 69 N CB -1.139 37.446 38.487 0.162 0.000 1.003 69 N HN 0.649 nan 8.380 nan 0.000 0.424 70 W N 2.113 123.373 121.300 -0.068 0.000 2.358 70 W HA -0.092 4.569 4.660 0.001 0.000 0.303 70 W C 2.369 178.823 176.519 -0.109 0.000 1.208 70 W CA 2.214 59.525 57.345 -0.058 0.000 1.274 70 W CB -0.312 29.139 29.460 -0.015 0.000 1.138 70 W HN 0.080 nan 8.180 nan 0.000 0.515 71 A N -0.187 122.666 122.820 0.056 0.000 1.845 71 A HA -0.207 4.114 4.320 0.001 0.000 0.215 71 A C 2.006 179.388 177.584 -0.337 0.000 1.195 71 A CA 2.605 54.566 52.037 -0.125 0.000 0.616 71 A CB -1.320 17.646 19.000 -0.057 0.000 0.832 71 A HN 0.167 nan 8.150 nan 0.000 0.443 72 V N 0.134 119.798 119.914 -0.417 0.000 2.407 72 V HA -0.239 3.882 4.120 0.001 0.000 0.248 72 V C 2.627 178.545 176.094 -0.292 0.000 1.055 72 V CA 1.938 64.014 62.300 -0.372 0.000 1.049 72 V CB -0.800 30.735 31.823 -0.480 0.000 0.662 72 V HN 0.530 nan 8.190 nan 0.000 0.455 73 Q N 0.173 119.791 119.800 -0.304 0.000 2.291 73 Q HA -0.116 4.224 4.340 0.001 0.000 0.205 73 Q C 1.351 177.153 176.000 -0.331 0.000 0.970 73 Q CA 1.194 56.840 55.803 -0.262 0.000 0.876 73 Q CB -0.456 28.149 28.738 -0.222 0.000 0.935 73 Q HN 0.718 nan 8.270 nan 0.000 0.455 74 N N -0.890 117.518 118.700 -0.487 0.000 2.238 74 N HA 0.224 4.965 4.740 0.001 0.000 0.222 74 N C 0.157 175.463 175.510 -0.340 0.000 1.133 74 N CA 0.496 53.238 53.050 -0.512 0.000 0.854 74 N CB 1.107 39.025 38.487 -0.947 0.000 1.041 74 N HN 0.249 nan 8.380 nan 0.000 0.510 75 G N 0.611 109.257 108.800 -0.256 0.000 2.182 75 G HA2 -0.303 3.657 3.960 0.001 0.000 0.248 75 G HA3 -0.303 3.657 3.960 0.001 0.000 0.248 75 G C -0.348 174.473 174.900 -0.132 0.000 1.042 75 G CA 0.119 45.121 45.100 -0.164 0.000 0.775 75 G HN 0.259 nan 8.290 nan 0.000 0.501 76 K N 0.072 120.375 120.400 -0.163 0.000 2.259 76 K HA 0.610 4.931 4.320 0.001 0.000 0.252 76 K C 0.632 177.155 176.600 -0.128 0.000 0.936 76 K CA -0.672 55.551 56.287 -0.106 0.000 0.810 76 K CB 1.604 34.064 32.500 -0.066 0.000 1.143 76 K HN 0.351 nan 8.250 nan 0.000 0.427 77 Q N 0.429 120.159 119.800 -0.118 0.000 2.414 77 Q HA 0.455 4.795 4.340 0.001 0.000 0.206 77 Q C -0.555 175.341 176.000 -0.173 0.000 1.058 77 Q CA -0.722 54.999 55.803 -0.137 0.000 1.025 77 Q CB 1.009 29.659 28.738 -0.147 0.000 1.196 77 Q HN 0.224 nan 8.270 nan 0.000 0.586 78 V N 0.737 120.548 119.914 -0.172 0.000 2.709 78 V HA 0.400 4.520 4.120 0.001 0.000 0.308 78 V C -0.766 175.153 176.094 -0.291 0.000 1.062 78 V CA -0.797 61.383 62.300 -0.201 0.000 0.901 78 V CB 2.031 33.786 31.823 -0.113 0.000 1.003 78 V HN 0.630 nan 8.190 nan 0.000 0.425 79 R N 2.283 122.592 120.500 -0.319 0.000 2.295 79 R HA 0.607 4.948 4.340 0.001 0.000 0.324 79 R C 0.228 176.253 176.300 -0.457 0.000 0.968 79 R CA -0.441 55.449 56.100 -0.349 0.000 0.837 79 R CB 1.920 32.070 30.300 -0.249 0.000 1.133 79 R HN 0.899 nan 8.270 nan 0.000 0.450 80 G N 2.456 110.757 108.800 -0.832 0.000 2.395 80 G HA2 0.328 4.289 3.960 0.001 0.000 0.283 80 G HA3 0.328 4.289 3.960 0.001 0.000 0.283 80 G C -0.732 173.985 174.900 -0.304 0.000 1.178 80 G CA -0.018 44.350 45.100 -1.220 0.000 0.837 80 G HN 0.747 nan 8.290 nan 0.000 0.518 81 H N -0.562 118.460 119.070 -0.079 0.000 3.140 81 H HA 0.466 5.022 4.556 0.001 0.000 0.336 81 H C -1.801 173.587 175.328 0.100 0.000 1.142 81 H CA -0.605 55.488 56.048 0.076 0.000 1.308 81 H CB 1.237 30.947 29.762 -0.086 0.000 1.970 81 H HN 0.395 nan 8.280 nan 0.000 0.521 82 T N 4.727 119.070 114.554 -0.352 0.000 2.876 82 T HA 0.320 4.670 4.350 0.001 0.000 0.289 82 T C 1.638 176.367 174.700 0.048 0.000 1.014 82 T CA -0.739 61.230 62.100 -0.219 0.000 0.986 82 T CB 1.584 69.927 68.868 -0.875 0.000 1.021 82 T HN 0.562 nan 8.240 nan 0.000 0.458 83 L N 1.226 122.514 121.223 0.110 0.000 2.131 83 L HA 0.355 4.695 4.340 0.001 0.000 0.206 83 L C 1.152 178.179 176.870 0.261 0.000 1.087 83 L CA 0.521 55.449 54.840 0.147 0.000 0.767 83 L CB -0.037 41.968 42.059 -0.091 0.000 0.917 83 L HN 0.652 nan 8.230 nan 0.000 0.441 84 A N -0.114 122.854 122.820 0.247 0.000 2.476 84 A HA 0.551 4.872 4.320 0.001 0.000 0.280 84 A C -1.592 176.351 177.584 0.599 0.000 1.081 84 A CA -0.512 51.754 52.037 0.382 0.000 0.753 84 A CB 0.625 19.854 19.000 0.382 0.000 1.248 84 A HN 0.245 nan 8.150 nan 0.000 0.424 85 W N 2.949 124.345 121.300 0.160 0.000 2.989 85 W HA 0.365 5.026 4.660 0.001 0.000 0.344 85 W C 0.207 176.733 176.519 0.013 0.000 1.233 85 W CA -0.224 57.243 57.345 0.203 0.000 1.187 85 W CB -0.071 29.477 29.460 0.147 0.000 1.443 85 W HN 0.829 nan 8.180 nan 0.000 0.573 86 H N 0.114 119.143 119.070 -0.068 0.000 2.462 86 H HA 0.062 4.618 4.556 0.001 0.000 0.292 86 H C 0.228 175.198 175.328 -0.597 0.000 1.049 86 H CA 1.368 57.230 56.048 -0.310 0.000 1.334 86 H CB -0.425 29.245 29.762 -0.154 0.000 1.404 86 H HN 0.193 nan 8.280 nan 0.000 0.544 87 S N 0.159 114.704 115.700 -1.924 0.000 2.646 87 S HA 0.132 4.603 4.470 0.001 0.000 0.276 87 S C 0.100 173.849 174.600 -1.418 0.000 1.222 87 S CA -0.339 56.797 58.200 -1.774 0.000 1.014 87 S CB 0.584 62.517 63.200 -2.112 0.000 0.991 87 S HN 0.577 nan 8.310 nan 0.000 0.533 88 Q N 0.478 119.810 119.800 -0.779 0.000 2.435 88 Q HA -0.221 4.119 4.340 0.001 0.000 0.286 88 Q C -0.480 175.288 176.000 -0.387 0.000 1.229 88 Q CA 0.679 56.218 55.803 -0.440 0.000 0.884 88 Q CB -1.293 27.293 28.738 -0.253 0.000 1.245 88 Q HN 0.657 nan 8.270 nan 0.000 0.488 89 Q N 1.053 120.580 119.800 -0.454 0.000 2.299 89 Q HA 0.293 4.634 4.340 0.001 0.000 0.246 89 Q C -1.915 173.840 176.000 -0.407 0.000 0.935 89 Q CA -1.701 53.835 55.803 -0.446 0.000 0.887 89 Q CB 0.769 29.223 28.738 -0.473 0.000 1.223 89 Q HN 0.128 nan 8.270 nan 0.000 0.439 90 P HA -0.055 nan 4.420 nan 0.000 0.272 90 P C 0.317 177.345 177.300 -0.452 0.000 1.230 90 P CA 0.088 62.937 63.100 -0.419 0.000 0.788 90 P CB 0.622 32.056 31.700 -0.444 0.000 0.949 91 G N 1.805 110.480 108.800 -0.207 0.000 2.513 91 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 91 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 91 G C 1.403 176.236 174.900 -0.111 0.000 1.160 91 G CA 0.648 45.673 45.100 -0.126 0.000 0.767 91 G HN 0.753 nan 8.290 nan 0.000 0.571 92 W N 0.049 121.297 121.300 -0.087 0.000 2.363 92 W HA 0.003 4.663 4.660 0.001 0.000 0.296 92 W C 2.143 178.609 176.519 -0.088 0.000 1.212 92 W CA 1.107 58.402 57.345 -0.083 0.000 1.260 92 W CB -0.963 28.445 29.460 -0.086 0.000 1.131 92 W HN 0.293 nan 8.180 nan 0.000 0.530 93 M N 1.479 120.559 119.600 -0.867 0.000 2.254 93 M HA -0.160 4.321 4.480 0.001 0.000 0.265 93 M C 2.436 178.501 176.300 -0.392 0.000 1.066 93 M CA 1.693 56.527 55.300 -0.776 0.000 1.123 93 M CB -0.258 31.622 32.600 -1.201 0.000 1.388 93 M HN 0.007 nan 8.290 nan 0.000 0.425 94 Q N -0.191 119.398 119.800 -0.352 0.000 2.181 94 Q HA -0.160 4.181 4.340 0.001 0.000 0.205 94 Q C 2.013 177.923 176.000 -0.150 0.000 0.980 94 Q CA 2.001 57.662 55.803 -0.236 0.000 0.862 94 Q CB -0.192 28.421 28.738 -0.208 0.000 0.905 94 Q HN 0.696 nan 8.270 nan 0.000 0.429 95 S N -0.268 115.368 115.700 -0.106 0.000 2.470 95 S HA 0.055 4.525 4.470 0.001 0.000 0.225 95 S C 0.977 175.553 174.600 -0.040 0.000 1.006 95 S CA -0.128 58.039 58.200 -0.054 0.000 0.934 95 S CB -0.158 63.033 63.200 -0.016 0.000 0.778 95 S HN 0.131 nan 8.310 nan 0.000 0.517 96 L N 2.486 123.684 121.223 -0.042 0.000 2.472 96 L HA 0.454 4.795 4.340 0.001 0.000 0.260 96 L C 0.618 177.458 176.870 -0.051 0.000 1.209 96 L CA -0.149 54.679 54.840 -0.019 0.000 0.817 96 L CB 0.734 42.801 42.059 0.014 0.000 1.106 96 L HN 0.524 nan 8.230 nan 0.000 0.479 97 S N -0.740 114.940 115.700 -0.034 0.000 2.661 97 S HA 0.724 5.195 4.470 0.001 0.000 0.268 97 S C -0.099 174.485 174.600 -0.027 0.000 1.162 97 S CA -0.354 57.818 58.200 -0.048 0.000 0.817 97 S CB 0.989 64.161 63.200 -0.047 0.000 1.141 97 S HN 1.234 nan 8.310 nan 0.000 0.477 98 G N 1.957 110.739 108.800 -0.031 0.000 2.614 98 G HA2 -0.337 3.623 3.960 0.001 0.000 0.303 98 G HA3 -0.337 3.623 3.960 0.001 0.000 0.303 98 G C 1.171 176.074 174.900 0.004 0.000 1.270 98 G CA 1.946 47.039 45.100 -0.011 0.000 0.988 98 G HN 2.233 nan 8.290 nan 0.000 0.551 99 S N -1.598 114.111 115.700 0.015 0.000 2.402 99 S HA -0.091 4.380 4.470 0.001 0.000 0.229 99 S C 2.300 176.920 174.600 0.034 0.000 1.021 99 S CA 2.577 60.794 58.200 0.028 0.000 0.974 99 S CB -0.623 62.593 63.200 0.026 0.000 0.800 99 S HN 1.546 nan 8.310 nan 0.000 0.484 100 T N 1.232 115.803 114.554 0.029 0.000 2.867 100 T HA 0.052 4.402 4.350 0.001 0.000 0.268 100 T C 1.625 176.358 174.700 0.054 0.000 1.057 100 T CA 1.190 63.315 62.100 0.041 0.000 1.136 100 T CB -0.564 68.326 68.868 0.037 0.000 0.874 100 T HN 0.327 nan 8.240 nan 0.000 0.466 101 L N 1.263 122.503 121.223 0.029 0.000 2.156 101 L HA 0.255 4.595 4.340 0.001 0.000 0.208 101 L C 2.424 179.313 176.870 0.032 0.000 1.095 101 L CA 1.707 56.555 54.840 0.014 0.000 0.770 101 L CB -0.783 41.248 42.059 -0.045 0.000 0.914 101 L HN 0.117 nan 8.230 nan 0.000 0.439 102 R N -0.298 120.227 120.500 0.042 0.000 2.081 102 R HA -0.197 4.143 4.340 0.001 0.000 0.235 102 R C 2.318 178.675 176.300 0.095 0.000 1.131 102 R CA 1.896 58.042 56.100 0.076 0.000 0.960 102 R CB -0.689 29.657 30.300 0.077 0.000 0.856 102 R HN 0.503 nan 8.270 nan 0.000 0.436 103 Q N -0.217 119.634 119.800 0.085 0.000 2.123 103 Q HA 0.106 4.446 4.340 0.001 0.000 0.199 103 Q C 1.827 177.902 176.000 0.124 0.000 0.966 103 Q CA 1.960 57.819 55.803 0.093 0.000 0.845 103 Q CB -0.399 28.383 28.738 0.074 0.000 0.907 103 Q HN 0.397 nan 8.270 nan 0.000 0.439 104 A N 0.380 123.284 122.820 0.140 0.000 1.933 104 A HA -0.167 4.153 4.320 0.001 0.000 0.218 104 A C 2.135 179.854 177.584 0.225 0.000 1.175 104 A CA 1.607 53.771 52.037 0.212 0.000 0.628 104 A CB -0.683 18.474 19.000 0.262 0.000 0.814 104 A HN 0.593 nan 8.150 nan 0.000 0.444 105 M N -0.435 119.262 119.600 0.162 0.000 2.086 105 M HA -0.112 4.369 4.480 0.001 0.000 0.261 105 M C 1.929 178.354 176.300 0.208 0.000 1.067 105 M CA 1.857 57.264 55.300 0.178 0.000 1.116 105 M CB -0.314 32.383 32.600 0.161 0.000 1.348 105 M HN 0.427 nan 8.290 nan 0.000 0.407 106 I N 0.471 121.140 120.570 0.165 0.000 2.226 106 I HA -0.322 3.848 4.170 0.001 0.000 0.245 106 I C 1.825 178.027 176.117 0.143 0.000 1.100 106 I CA 1.283 62.662 61.300 0.131 0.000 1.374 106 I CB -0.741 37.320 38.000 0.101 0.000 1.057 106 I HN 0.314 nan 8.210 nan 0.000 0.413 107 D N -0.311 120.199 120.400 0.184 0.000 2.144 107 D HA -0.235 4.406 4.640 0.001 0.000 0.199 107 D C 1.977 178.477 176.300 0.333 0.000 0.984 107 D CA 1.488 55.621 54.000 0.221 0.000 0.834 107 D CB -0.365 40.567 40.800 0.221 0.000 0.955 107 D HN 0.442 nan 8.370 nan 0.000 0.465 108 H N 0.770 120.016 119.070 0.294 0.000 2.321 108 H HA -0.005 4.551 4.556 0.001 0.000 0.300 108 H C 2.217 177.666 175.328 0.202 0.000 1.087 108 H CA 1.268 57.547 56.048 0.385 0.000 1.319 108 H CB -0.334 29.606 29.762 0.296 0.000 1.379 108 H HN 0.036 nan 8.280 nan 0.000 0.501 109 I N 0.335 120.962 120.570 0.095 0.000 2.163 109 I HA -0.339 3.832 4.170 0.001 0.000 0.243 109 I C 1.999 178.007 176.117 -0.181 0.000 1.085 109 I CA 1.414 62.657 61.300 -0.095 0.000 1.347 109 I CB -0.353 37.617 38.000 -0.049 0.000 1.044 109 I HN 0.398 nan 8.210 nan 0.000 0.408 110 N N 1.068 119.716 118.700 -0.087 0.000 2.166 110 N HA -0.115 4.625 4.740 0.001 0.000 0.186 110 N C 1.885 177.272 175.510 -0.205 0.000 1.019 110 N CA 1.622 54.605 53.050 -0.112 0.000 0.856 110 N CB -0.664 37.802 38.487 -0.035 0.000 0.993 110 N HN 0.444 nan 8.380 nan 0.000 0.426 111 G N 0.989 109.620 108.800 -0.281 0.000 2.404 111 G HA2 -0.155 3.806 3.960 0.001 0.000 0.215 111 G HA3 -0.155 3.806 3.960 0.001 0.000 0.215 111 G C 1.753 176.276 174.900 -0.627 0.000 1.174 111 G CA 0.798 45.452 45.100 -0.744 0.000 0.780 111 G HN 0.180 nan 8.290 nan 0.000 0.537 112 V N 1.069 120.715 119.914 -0.447 0.000 2.270 112 V HA -0.165 3.956 4.120 0.001 0.000 0.245 112 V C 2.909 178.925 176.094 -0.130 0.000 1.043 112 V CA 2.039 64.264 62.300 -0.126 0.000 1.014 112 V CB -0.474 31.276 31.823 -0.122 0.000 0.645 112 V HN 0.335 nan 8.190 nan 0.000 0.447 113 M N 0.346 119.757 119.600 -0.315 0.000 2.159 113 M HA -0.084 4.397 4.480 0.001 0.000 0.263 113 M C 2.267 178.494 176.300 -0.122 0.000 1.063 113 M CA 1.971 57.118 55.300 -0.255 0.000 1.110 113 M CB -0.853 31.503 32.600 -0.406 0.000 1.374 113 M HN 0.513 nan 8.290 nan 0.000 0.411 114 G N -1.054 107.633 108.800 -0.189 0.000 2.422 114 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 114 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 114 G C 1.177 175.934 174.900 -0.239 0.000 1.146 114 G CA 1.265 46.258 45.100 -0.177 0.000 0.769 114 G HN 0.468 nan 8.290 nan 0.000 0.547 115 H N -0.573 118.199 119.070 -0.498 0.000 2.387 115 H HA -0.022 4.534 4.556 0.001 0.000 0.299 115 H C 1.132 175.992 175.328 -0.779 0.000 1.090 115 H CA 1.216 56.771 56.048 -0.821 0.000 1.332 115 H CB -0.058 28.702 29.762 -1.670 0.000 1.386 115 H HN 0.429 nan 8.280 nan 0.000 0.516 116 Y N 0.321 120.435 120.300 -0.308 0.000 2.607 116 Y HA 0.216 4.766 4.550 0.001 0.000 0.266 116 Y C 0.594 176.421 175.900 -0.123 0.000 1.178 116 Y CA -0.509 57.428 58.100 -0.271 0.000 1.226 116 Y CB -0.070 38.363 38.460 -0.046 0.000 1.144 116 Y HN -0.027 nan 8.280 nan 0.000 0.528 117 K N 0.830 121.216 120.400 -0.024 0.000 2.504 117 K HA 0.085 4.406 4.320 0.001 0.000 0.278 117 K C 1.307 177.916 176.600 0.015 0.000 1.025 117 K CA 1.356 57.649 56.287 0.010 0.000 1.093 117 K CB -0.200 32.272 32.500 -0.047 0.000 0.873 117 K HN 0.642 nan 8.250 nan 0.000 0.483 118 G N 3.700 112.537 108.800 0.062 0.000 2.189 118 G HA2 -0.315 3.645 3.960 0.001 0.000 0.267 118 G HA3 -0.315 3.645 3.960 0.001 0.000 0.267 118 G C 0.472 175.406 174.900 0.057 0.000 0.975 118 G CA 0.844 45.975 45.100 0.052 0.000 0.644 118 G HN 0.739 nan 8.290 nan 0.000 0.537 119 K N -0.674 119.766 120.400 0.066 0.000 2.374 119 K HA 0.367 4.687 4.320 0.001 0.000 0.202 119 K C 0.370 177.031 176.600 0.102 0.000 1.040 119 K CA -0.180 56.165 56.287 0.096 0.000 1.085 119 K CB 0.946 33.479 32.500 0.056 0.000 0.873 119 K HN 0.306 nan 8.250 nan 0.000 0.539 120 I N 1.075 121.668 120.570 0.039 0.000 2.354 120 I HA 0.200 4.371 4.170 0.001 0.000 0.292 120 I C 1.179 177.252 176.117 -0.074 0.000 0.989 120 I CA -0.334 60.903 61.300 -0.105 0.000 1.188 120 I CB 1.057 38.846 38.000 -0.351 0.000 1.342 120 I HN -0.010 nan 8.210 nan 0.000 0.457 121 A N 6.341 129.098 122.820 -0.106 0.000 1.873 121 A HA -0.057 4.263 4.320 0.001 0.000 0.215 121 A C 0.795 178.358 177.584 -0.034 0.000 1.186 121 A CA 1.192 53.195 52.037 -0.056 0.000 0.616 121 A CB 0.025 18.974 19.000 -0.085 0.000 0.823 121 A HN 0.776 nan 8.150 nan 0.000 0.442 122 Q N -3.191 116.540 119.800 -0.114 0.000 2.359 122 Q HA 0.478 4.819 4.340 0.001 0.000 0.274 122 Q C -2.033 173.890 176.000 -0.128 0.000 1.074 122 Q CA -0.313 55.470 55.803 -0.034 0.000 0.810 122 Q CB 2.110 30.846 28.738 -0.003 0.000 1.342 122 Q HN 0.545 nan 8.270 nan 0.000 0.427 123 W N 1.539 122.859 121.300 0.033 0.000 2.600 123 W HA 0.311 4.972 4.660 0.001 0.000 0.325 123 W C -0.740 175.787 176.519 0.014 0.000 1.034 123 W CA -0.463 56.890 57.345 0.014 0.000 1.226 123 W CB 1.642 31.104 29.460 0.003 0.000 1.379 123 W HN 0.444 nan 8.180 nan 0.000 0.466 124 D N 3.610 124.195 120.400 0.307 0.000 2.402 124 D HA 0.057 4.698 4.640 0.001 0.000 0.235 124 D C 1.132 177.510 176.300 0.131 0.000 1.226 124 D CA 0.229 54.323 54.000 0.156 0.000 0.918 124 D CB 1.409 42.246 40.800 0.062 0.000 1.043 124 D HN 0.127 nan 8.370 nan 0.000 0.506 125 V N 2.060 121.979 119.914 0.009 0.000 2.307 125 V HA -0.109 4.011 4.120 0.001 0.000 0.245 125 V C 1.091 177.099 176.094 -0.144 0.000 1.045 125 V CA 1.033 63.198 62.300 -0.225 0.000 1.024 125 V CB 0.053 31.401 31.823 -0.791 0.000 0.651 125 V HN 0.272 nan 8.190 nan 0.000 0.449 126 V N -0.961 118.922 119.914 -0.052 0.000 2.876 126 V HA 0.696 4.816 4.120 0.001 0.000 0.312 126 V C -0.559 175.589 176.094 0.089 0.000 1.085 126 V CA -0.228 62.173 62.300 0.168 0.000 0.945 126 V CB 1.932 33.939 31.823 0.306 0.000 1.017 126 V HN 0.277 nan 8.190 nan 0.000 0.428 127 S N 1.118 116.932 115.700 0.191 0.000 2.556 127 S HA 0.620 5.091 4.470 0.001 0.000 0.271 127 S C -0.653 174.308 174.600 0.603 0.000 1.135 127 S CA -0.451 57.812 58.200 0.103 0.000 0.858 127 S CB 0.709 63.825 63.200 -0.139 0.000 1.114 127 S HN 0.996 nan 8.310 nan 0.000 0.468 128 H N 0.407 119.648 119.070 0.285 0.000 2.626 128 H HA -0.185 4.371 4.556 0.001 0.000 0.317 128 H C 0.884 176.574 175.328 0.604 0.000 1.140 128 H CA 0.879 57.258 56.048 0.551 0.000 1.134 128 H CB -1.608 28.630 29.762 0.792 0.000 1.486 128 H HN 0.676 nan 8.280 nan 0.000 0.417 129 A N -0.933 122.347 122.820 0.767 0.000 2.238 129 A HA 0.313 4.634 4.320 0.001 0.000 0.210 129 A C 0.352 178.141 177.584 0.342 0.000 1.179 129 A CA 0.115 52.548 52.037 0.660 0.000 0.827 129 A CB 0.356 19.775 19.000 0.698 0.000 0.856 129 A HN 0.187 nan 8.150 nan 0.000 0.488 130 F N -0.811 119.295 119.950 0.260 0.000 2.470 130 F HA 0.550 5.078 4.527 0.001 0.000 0.329 130 F C 0.945 176.790 175.800 0.074 0.000 1.072 130 F CA -0.800 57.278 58.000 0.130 0.000 0.989 130 F CB 1.549 40.598 39.000 0.082 0.000 1.193 130 F HN -0.054 nan 8.300 nan 0.000 0.481 131 S N 0.001 115.809 115.700 0.180 0.000 2.645 131 S HA 0.197 4.667 4.470 0.001 0.000 0.266 131 S C 0.208 174.872 174.600 0.107 0.000 1.258 131 S CA -0.511 57.755 58.200 0.109 0.000 0.990 131 S CB 0.446 63.682 63.200 0.060 0.000 0.967 131 S HN 0.636 nan 8.310 nan 0.000 0.556 132 D N 0.637 121.089 120.400 0.087 0.000 2.431 132 D HA 0.079 4.720 4.640 0.001 0.000 0.213 132 D C 0.438 176.770 176.300 0.054 0.000 1.130 132 D CA 0.161 54.212 54.000 0.084 0.000 0.834 132 D CB 0.171 41.048 40.800 0.127 0.000 0.985 132 D HN 0.720 nan 8.370 nan 0.000 0.504 133 D N 0.175 120.599 120.400 0.040 0.000 2.350 133 D HA -0.015 4.626 4.640 0.001 0.000 0.216 133 D C 1.620 177.910 176.300 -0.017 0.000 0.968 133 D CA 0.944 54.951 54.000 0.012 0.000 0.894 133 D CB -0.153 40.655 40.800 0.013 0.000 0.909 133 D HN 0.164 nan 8.370 nan 0.000 0.520 134 G N -0.486 108.305 108.800 -0.015 0.000 2.157 134 G HA2 -0.310 3.651 3.960 0.001 0.000 0.239 134 G HA3 -0.310 3.651 3.960 0.001 0.000 0.239 134 G C 1.050 175.933 174.900 -0.027 0.000 0.982 134 G CA 0.636 45.704 45.100 -0.054 0.000 0.650 134 G HN 0.703 nan 8.290 nan 0.000 0.527 135 S N -0.557 115.147 115.700 0.007 0.000 2.517 135 S HA 0.432 4.902 4.470 0.001 0.000 0.214 135 S C 2.155 176.783 174.600 0.046 0.000 0.991 135 S CA 1.322 59.532 58.200 0.015 0.000 0.906 135 S CB 0.402 63.611 63.200 0.015 0.000 0.789 135 S HN 2.286 nan 8.310 nan 0.000 0.513 136 G N 0.674 109.525 108.800 0.086 0.000 2.153 136 G HA2 -0.100 3.860 3.960 0.001 0.000 0.252 136 G HA3 -0.100 3.860 3.960 0.001 0.000 0.252 136 G C 0.393 175.444 174.900 0.251 0.000 0.994 136 G CA 0.056 45.250 45.100 0.156 0.000 0.698 136 G HN 1.075 nan 8.290 nan 0.000 0.521 137 G N -1.172 107.719 108.800 0.153 0.000 2.531 137 G HA2 0.644 4.605 3.960 0.001 0.000 0.313 137 G HA3 0.644 4.605 3.960 0.001 0.000 0.313 137 G C 0.249 175.085 174.900 -0.107 0.000 1.238 137 G CA -0.904 44.225 45.100 0.048 0.000 0.994 137 G HN 0.315 nan 8.290 nan 0.000 0.493 138 R N -0.175 120.153 120.500 -0.287 0.000 2.694 138 R HA 0.144 4.484 4.340 0.001 0.000 0.268 138 R C 0.626 176.845 176.300 -0.134 0.000 1.061 138 R CA -0.399 55.467 56.100 -0.390 0.000 1.133 138 R CB 0.554 30.705 30.300 -0.248 0.000 1.020 138 R HN 0.621 nan 8.270 nan 0.000 0.475 139 R N 1.402 121.859 120.500 -0.073 0.000 2.438 139 R HA -0.026 4.315 4.340 0.001 0.000 0.287 139 R C -0.648 175.623 176.300 -0.049 0.000 1.077 139 R CA -0.277 55.803 56.100 -0.034 0.000 1.034 139 R CB 0.460 30.738 30.300 -0.038 0.000 0.993 139 R HN 0.452 nan 8.270 nan 0.000 0.459 140 D N 2.667 123.033 120.400 -0.058 0.000 2.342 140 D HA 0.062 4.702 4.640 0.001 0.000 0.260 140 D C -1.024 175.219 176.300 -0.094 0.000 1.278 140 D CA 0.293 54.255 54.000 -0.063 0.000 0.910 140 D CB 0.566 41.338 40.800 -0.047 0.000 1.079 140 D HN 0.542 nan 8.370 nan 0.000 0.496 141 S N 2.604 118.232 115.700 -0.121 0.000 2.651 141 S HA 0.299 4.769 4.470 0.001 0.000 0.279 141 S C 1.107 175.587 174.600 -0.201 0.000 1.148 141 S CA -0.863 57.245 58.200 -0.152 0.000 0.837 141 S CB 1.142 64.247 63.200 -0.158 0.000 1.138 141 S HN 0.404 nan 8.310 nan 0.000 0.478 142 N N 1.172 119.751 118.700 -0.202 0.000 2.223 142 N HA -0.123 4.617 4.740 0.001 0.000 0.185 142 N C 1.498 176.824 175.510 -0.307 0.000 1.016 142 N CA 1.374 54.298 53.050 -0.209 0.000 0.863 142 N CB -0.922 37.454 38.487 -0.186 0.000 0.983 142 N HN 0.675 nan 8.380 nan 0.000 0.429 143 L N -0.167 120.764 121.223 -0.485 0.000 2.056 143 L HA -0.094 4.246 4.340 0.001 0.000 0.207 143 L C 2.796 179.035 176.870 -1.053 0.000 1.078 143 L CA 1.168 55.503 54.840 -0.841 0.000 0.749 143 L CB -0.437 40.800 42.059 -1.370 0.000 0.901 143 L HN 0.208 nan 8.230 nan 0.000 0.433 144 Q N 0.591 119.903 119.800 -0.814 0.000 2.167 144 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 144 Q C 2.110 178.019 176.000 -0.152 0.000 0.970 144 Q CA 1.454 57.033 55.803 -0.373 0.000 0.855 144 Q CB -0.021 28.671 28.738 -0.077 0.000 0.911 144 Q HN 0.297 nan 8.270 nan 0.000 0.438 145 R N -0.527 119.870 120.500 -0.172 0.000 2.280 145 R HA -0.021 4.320 4.340 0.001 0.000 0.207 145 R C 1.787 178.050 176.300 -0.062 0.000 1.043 145 R CA 1.361 57.407 56.100 -0.089 0.000 1.006 145 R CB -0.229 30.017 30.300 -0.090 0.000 0.885 145 R HN 0.430 nan 8.270 nan 0.000 0.467 146 T N -2.493 112.009 114.554 -0.087 0.000 3.113 146 T HA 0.209 4.559 4.350 0.001 0.000 0.256 146 T C 0.754 175.482 174.700 0.047 0.000 1.131 146 T CA 0.407 62.492 62.100 -0.025 0.000 1.074 146 T CB 0.640 69.488 68.868 -0.034 0.000 0.944 146 T HN 0.317 nan 8.240 nan 0.000 0.516 147 G N 0.891 109.738 108.800 0.079 0.000 2.397 147 G HA2 0.004 3.965 3.960 0.001 0.000 0.453 147 G HA3 0.004 3.965 3.960 0.001 0.000 0.453 147 G C -0.138 174.919 174.900 0.263 0.000 1.579 147 G CA -0.337 44.846 45.100 0.138 0.000 0.906 147 G HN 0.111 nan 8.290 nan 0.000 0.675 148 N N 0.531 119.354 118.700 0.205 0.000 2.430 148 N HA -0.115 4.625 4.740 0.001 0.000 0.186 148 N C 1.735 177.371 175.510 0.210 0.000 1.032 148 N CA 1.907 55.093 53.050 0.227 0.000 0.893 148 N CB 0.206 38.763 38.487 0.116 0.000 0.957 148 N HN 0.640 nan 8.380 nan 0.000 0.442 149 D N -0.543 119.973 120.400 0.194 0.000 2.328 149 D HA -0.104 4.537 4.640 0.001 0.000 0.226 149 D C 1.648 178.046 176.300 0.165 0.000 1.066 149 D CA -0.183 53.897 54.000 0.134 0.000 0.861 149 D CB -0.861 39.997 40.800 0.098 0.000 0.912 149 D HN 0.550 nan 8.370 nan 0.000 0.521 150 W N 1.399 122.756 121.300 0.096 0.000 2.363 150 W HA -0.099 4.562 4.660 0.001 0.000 0.296 150 W C 1.503 178.118 176.519 0.159 0.000 1.212 150 W CA 0.163 57.571 57.345 0.106 0.000 1.260 150 W CB -1.068 28.447 29.460 0.093 0.000 1.131 150 W HN -0.090 nan 8.180 nan 0.000 0.530 151 I N 1.331 121.519 120.570 -0.637 0.000 2.179 151 I HA -0.289 3.881 4.170 0.001 0.000 0.242 151 I C 2.797 178.955 176.117 0.069 0.000 1.088 151 I CA 2.217 63.241 61.300 -0.460 0.000 1.357 151 I CB -0.808 36.930 38.000 -0.437 0.000 1.051 151 I HN 0.021 nan 8.210 nan 0.000 0.409 152 E N 1.064 121.262 120.200 -0.002 0.000 2.085 152 E HA -0.205 4.145 4.350 0.001 0.000 0.194 152 E C 2.302 178.872 176.600 -0.049 0.000 0.994 152 E CA 1.609 57.878 56.400 -0.217 0.000 0.801 152 E CB 0.141 29.664 29.700 -0.295 0.000 0.743 152 E HN 0.280 nan 8.360 nan 0.000 0.453 153 V N 1.136 121.064 119.914 0.023 0.000 2.407 153 V HA -0.252 3.868 4.120 0.001 0.000 0.248 153 V C 2.445 178.581 176.094 0.070 0.000 1.055 153 V CA 1.671 64.005 62.300 0.057 0.000 1.049 153 V CB -0.757 31.128 31.823 0.103 0.000 0.662 153 V HN 0.422 nan 8.190 nan 0.000 0.455 154 A N -0.341 122.531 122.820 0.086 0.000 1.883 154 A HA -0.202 4.119 4.320 0.001 0.000 0.217 154 A C 2.046 179.580 177.584 -0.082 0.000 1.186 154 A CA 1.916 53.963 52.037 0.017 0.000 0.624 154 A CB -0.726 18.272 19.000 -0.004 0.000 0.822 154 A HN 0.465 nan 8.150 nan 0.000 0.444 155 F N -0.232 119.713 119.950 -0.009 0.000 2.146 155 F HA -0.090 4.437 4.527 0.001 0.000 0.298 155 F C 2.603 178.383 175.800 -0.034 0.000 1.096 155 F CA 1.667 59.659 58.000 -0.013 0.000 1.275 155 F CB -0.240 38.736 39.000 -0.039 0.000 1.008 155 F HN 0.097 nan 8.300 nan 0.000 0.480 156 R N -0.579 119.986 120.500 0.108 0.000 2.096 156 R HA -0.119 4.222 4.340 0.001 0.000 0.235 156 R C 2.077 178.393 176.300 0.028 0.000 1.127 156 R CA 1.866 57.992 56.100 0.045 0.000 0.968 156 R CB -0.964 29.341 30.300 0.008 0.000 0.861 156 R HN 0.218 nan 8.270 nan 0.000 0.440 157 T N 0.923 115.487 114.554 0.017 0.000 2.708 157 T HA -0.128 4.222 4.350 0.001 0.000 0.266 157 T C 1.977 176.659 174.700 -0.031 0.000 1.037 157 T CA 1.401 63.499 62.100 -0.002 0.000 1.146 157 T CB -0.255 68.615 68.868 0.003 0.000 0.865 157 T HN 0.374 nan 8.240 nan 0.000 0.435 158 A N 1.959 124.744 122.820 -0.058 0.000 1.883 158 A HA -0.153 4.168 4.320 0.001 0.000 0.217 158 A C 2.252 179.819 177.584 -0.028 0.000 1.186 158 A CA 2.158 54.137 52.037 -0.097 0.000 0.624 158 A CB -0.623 18.285 19.000 -0.153 0.000 0.822 158 A HN 0.355 nan 8.150 nan 0.000 0.444 159 R N 0.219 120.737 120.500 0.031 0.000 2.096 159 R HA -0.115 4.226 4.340 0.001 0.000 0.240 159 R C 2.113 178.428 176.300 0.025 0.000 1.139 159 R CA 2.212 58.344 56.100 0.052 0.000 0.952 159 R CB -0.880 29.462 30.300 0.069 0.000 0.854 159 R HN 0.410 nan 8.270 nan 0.000 0.436 160 A N 0.036 122.863 122.820 0.011 0.000 1.930 160 A HA 0.020 4.341 4.320 0.001 0.000 0.217 160 A C 2.385 179.963 177.584 -0.011 0.000 1.175 160 A CA 1.655 53.694 52.037 0.002 0.000 0.627 160 A CB -1.013 17.988 19.000 0.001 0.000 0.815 160 A HN 0.515 nan 8.150 nan 0.000 0.443 161 A N -1.254 121.548 122.820 -0.031 0.000 1.902 161 A HA 0.001 4.322 4.320 0.001 0.000 0.217 161 A C 0.956 178.517 177.584 -0.039 0.000 1.181 161 A CA 1.781 53.786 52.037 -0.055 0.000 0.623 161 A CB -0.095 18.842 19.000 -0.105 0.000 0.818 161 A HN 0.414 nan 8.150 nan 0.000 0.443 162 D N -2.813 117.578 120.400 -0.015 0.000 2.337 162 D HA 0.336 4.977 4.640 0.001 0.000 0.238 162 D C -2.590 173.744 176.300 0.057 0.000 1.331 162 D CA -1.438 52.578 54.000 0.027 0.000 0.967 162 D CB 1.152 41.989 40.800 0.063 0.000 1.382 162 D HN -0.095 nan 8.370 nan 0.000 0.549 163 P HA 0.052 nan 4.420 nan 0.000 0.230 163 P C 0.863 178.206 177.300 0.070 0.000 1.158 163 P CA 0.598 63.731 63.100 0.056 0.000 0.769 163 P CB 0.429 32.153 31.700 0.039 0.000 0.807 164 A N -0.892 121.973 122.820 0.075 0.000 2.178 164 A HA 0.408 4.729 4.320 0.001 0.000 0.211 164 A C 1.251 178.896 177.584 0.103 0.000 1.157 164 A CA 0.346 52.430 52.037 0.078 0.000 0.780 164 A CB -0.595 18.444 19.000 0.065 0.000 0.828 164 A HN 0.218 nan 8.150 nan 0.000 0.476 165 A N 0.357 123.263 122.820 0.144 0.000 2.310 165 A HA 0.542 4.862 4.320 0.001 0.000 0.299 165 A C -0.008 177.686 177.584 0.183 0.000 1.147 165 A CA -0.551 51.598 52.037 0.187 0.000 0.818 165 A CB 0.278 19.490 19.000 0.353 0.000 1.096 165 A HN 0.339 nan 8.150 nan 0.000 0.495 166 K N 1.718 122.216 120.400 0.163 0.000 2.339 166 K HA 0.343 4.664 4.320 0.001 0.000 0.286 166 K C -0.969 175.770 176.600 0.233 0.000 1.050 166 K CA 0.177 56.567 56.287 0.172 0.000 0.956 166 K CB 0.558 33.143 32.500 0.141 0.000 0.990 166 K HN 0.586 nan 8.250 nan 0.000 0.475 167 L N 4.282 125.671 121.223 0.277 0.000 2.257 167 L HA 0.318 4.659 4.340 0.001 0.000 0.290 167 L C -0.373 176.789 176.870 0.486 0.000 1.044 167 L CA -0.886 54.187 54.840 0.389 0.000 0.810 167 L CB 0.807 43.154 42.059 0.480 0.000 1.193 167 L HN 0.653 nan 8.230 nan 0.000 0.425 168 c N 1.999 120.860 118.600 0.434 0.000 2.454 168 c HA 0.483 5.053 4.570 0.001 0.000 0.336 168 c C -0.260 174.133 174.090 0.506 0.000 1.189 168 c CA -0.959 55.600 56.329 0.382 0.000 1.877 168 c CB 1.434 44.058 42.510 0.191 0.000 2.348 168 c HN 0.630 nan 8.230 nan 0.000 0.508 169 Y N 2.478 122.973 120.300 0.324 0.000 2.328 169 Y HA 0.535 5.085 4.550 0.001 0.000 0.337 169 Y C -0.265 175.654 175.900 0.032 0.000 0.966 169 Y CA -0.313 57.961 58.100 0.291 0.000 1.136 169 Y CB 0.532 39.101 38.460 0.182 0.000 1.170 169 Y HN 0.807 nan 8.280 nan 0.000 0.470 170 N N 4.148 122.380 118.700 -0.780 0.000 2.314 170 N HA 0.465 5.206 4.740 0.001 0.000 0.304 170 N C -1.935 173.151 175.510 -0.707 0.000 1.073 170 N CA -0.287 52.405 53.050 -0.597 0.000 0.822 170 N CB 1.380 39.684 38.487 -0.306 0.000 1.280 170 N HN 0.776 nan 8.380 nan 0.000 0.489 171 D N -0.131 119.962 120.400 -0.512 0.000 2.692 171 D HA 0.228 4.869 4.640 0.001 0.000 0.290 171 D C -1.516 174.611 176.300 -0.288 0.000 1.281 171 D CA -0.255 53.501 54.000 -0.408 0.000 0.804 171 D CB 0.874 41.546 40.800 -0.212 0.000 1.331 171 D HN 0.420 nan 8.370 nan 0.000 0.432 172 Y N -0.432 119.626 120.300 -0.404 0.000 2.630 172 Y HA 0.563 5.114 4.550 0.001 0.000 0.337 172 Y C 0.561 176.394 175.900 -0.112 0.000 1.051 172 Y CA -0.997 56.959 58.100 -0.239 0.000 1.121 172 Y CB 0.450 38.798 38.460 -0.186 0.000 1.299 172 Y HN 0.322 nan 8.280 nan 0.000 0.498 173 N N 0.491 119.094 118.700 -0.161 0.000 2.725 173 N HA -0.206 4.534 4.740 0.001 0.000 0.249 173 N C -0.183 175.197 175.510 -0.216 0.000 1.103 173 N CA 1.478 54.373 53.050 -0.259 0.000 0.707 173 N CB -1.294 37.079 38.487 -0.190 0.000 1.043 173 N HN 0.889 nan 8.380 nan 0.000 0.553 174 I N -3.835 116.662 120.570 -0.120 0.000 3.833 174 I HA 0.300 4.471 4.170 0.001 0.000 0.328 174 I C 0.883 177.147 176.117 0.244 0.000 1.554 174 I CA -0.450 60.867 61.300 0.028 0.000 1.116 174 I CB 0.533 38.519 38.000 -0.024 0.000 1.182 174 I HN -0.254 nan 8.210 nan 0.000 0.459 175 E N 1.166 121.414 120.200 0.080 0.000 2.140 175 E HA 0.070 4.421 4.350 0.001 0.000 0.191 175 E C 0.759 177.439 176.600 0.133 0.000 0.973 175 E CA 0.395 56.890 56.400 0.158 0.000 0.829 175 E CB 0.036 29.601 29.700 -0.226 0.000 0.781 175 E HN 0.356 nan 8.360 nan 0.000 0.466 176 N N 0.846 119.440 118.700 -0.175 0.000 2.411 176 N HA -0.077 4.663 4.740 0.001 0.000 0.259 176 N C 0.102 175.655 175.510 0.072 0.000 1.103 176 N CA -0.041 52.907 53.050 -0.170 0.000 0.954 176 N CB 0.310 38.426 38.487 -0.617 0.000 1.085 176 N HN 0.297 nan 8.380 nan 0.000 0.485 177 W N 3.696 125.013 121.300 0.028 0.000 2.364 177 W HA -0.187 4.474 4.660 0.001 0.000 0.281 177 W C 1.168 177.746 176.519 0.098 0.000 1.219 177 W CA 1.833 59.213 57.345 0.059 0.000 1.220 177 W CB 0.104 29.567 29.460 0.004 0.000 1.127 177 W HN 0.608 nan 8.180 nan 0.000 0.556 178 T N -2.962 111.669 114.554 0.129 0.000 3.118 178 T HA -0.107 4.244 4.350 0.001 0.000 0.260 178 T C 0.222 175.014 174.700 0.154 0.000 1.139 178 T CA 0.007 62.159 62.100 0.087 0.000 1.085 178 T CB -0.612 68.369 68.868 0.188 0.000 0.934 178 T HN -0.063 nan 8.240 nan 0.000 0.518 179 W N 1.192 122.414 121.300 -0.131 0.000 2.218 179 W HA 0.718 5.379 4.660 0.001 0.000 0.326 179 W C 1.535 177.964 176.519 -0.150 0.000 1.276 179 W CA -1.211 56.072 57.345 -0.103 0.000 1.210 179 W CB 0.515 29.944 29.460 -0.051 0.000 1.143 179 W HN 0.144 nan 8.180 nan 0.000 0.563 180 A N 2.721 125.572 122.820 0.051 0.000 1.933 180 A HA -0.215 4.106 4.320 0.001 0.000 0.218 180 A C 2.025 179.628 177.584 0.032 0.000 1.175 180 A CA 1.780 53.814 52.037 -0.005 0.000 0.628 180 A CB -0.492 18.495 19.000 -0.022 0.000 0.814 180 A HN 0.724 nan 8.150 nan 0.000 0.444 181 K N -0.758 119.705 120.400 0.105 0.000 2.057 181 K HA -0.139 4.182 4.320 0.001 0.000 0.207 181 K C 2.003 178.587 176.600 -0.026 0.000 1.049 181 K CA 1.857 58.192 56.287 0.078 0.000 0.931 181 K CB -0.324 32.246 32.500 0.117 0.000 0.714 181 K HN 0.464 nan 8.250 nan 0.000 0.440 182 T N 1.442 116.014 114.554 0.031 0.000 2.720 182 T HA -0.141 4.209 4.350 0.001 0.000 0.268 182 T C 1.775 176.452 174.700 -0.039 0.000 1.037 182 T CA 1.147 63.271 62.100 0.040 0.000 1.144 182 T CB -0.142 68.763 68.868 0.062 0.000 0.864 182 T HN 0.274 nan 8.240 nan 0.000 0.444 183 Q N 0.518 120.210 119.800 -0.180 0.000 2.119 183 Q HA 0.020 4.361 4.340 0.001 0.000 0.201 183 Q C 2.744 178.698 176.000 -0.076 0.000 0.972 183 Q CA 1.538 57.217 55.803 -0.207 0.000 0.847 183 Q CB -1.025 27.566 28.738 -0.245 0.000 0.903 183 Q HN 0.626 nan 8.270 nan 0.000 0.433 184 G N 0.307 109.052 108.800 -0.092 0.000 2.418 184 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 184 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 184 G C 1.609 176.276 174.900 -0.390 0.000 1.158 184 G CA 0.971 46.031 45.100 -0.067 0.000 0.771 184 G HN 0.274 nan 8.290 nan 0.000 0.545 185 V N -0.222 119.293 119.914 -0.666 0.000 2.379 185 V HA -0.144 3.977 4.120 0.001 0.000 0.245 185 V C 2.248 178.262 176.094 -0.134 0.000 1.044 185 V CA 1.571 63.469 62.300 -0.669 0.000 1.036 185 V CB -0.724 30.845 31.823 -0.422 0.000 0.664 185 V HN 0.454 nan 8.190 nan 0.000 0.453 186 Y N 2.224 122.481 120.300 -0.071 0.000 2.128 186 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 186 Y C 2.540 178.291 175.900 -0.248 0.000 1.154 186 Y CA 2.100 60.021 58.100 -0.298 0.000 1.149 186 Y CB -0.446 37.801 38.460 -0.356 0.000 0.976 186 Y HN 0.292 nan 8.280 nan 0.000 0.505 187 N N 0.126 118.713 118.700 -0.188 0.000 2.166 187 N HA -0.232 4.509 4.740 0.001 0.000 0.186 187 N C 2.066 177.409 175.510 -0.279 0.000 1.019 187 N CA 1.752 54.667 53.050 -0.225 0.000 0.856 187 N CB -0.578 37.869 38.487 -0.066 0.000 0.993 187 N HN 0.547 nan 8.380 nan 0.000 0.426 188 M N 0.725 120.141 119.600 -0.306 0.000 2.099 188 M HA -0.110 4.371 4.480 0.001 0.000 0.262 188 M C 1.655 177.493 176.300 -0.769 0.000 1.067 188 M CA 1.348 56.348 55.300 -0.499 0.000 1.124 188 M CB 0.048 32.345 32.600 -0.505 0.000 1.353 188 M HN -0.139 nan 8.290 nan 0.000 0.410 189 V N 0.603 120.164 119.914 -0.589 0.000 2.343 189 V HA -0.257 3.864 4.120 0.001 0.000 0.247 189 V C 2.492 178.412 176.094 -0.290 0.000 1.051 189 V CA 2.235 64.281 62.300 -0.423 0.000 1.036 189 V CB -1.065 30.686 31.823 -0.121 0.000 0.654 189 V HN 0.562 nan 8.190 nan 0.000 0.451 190 R N 0.440 120.698 120.500 -0.404 0.000 2.073 190 R HA -0.239 4.101 4.340 0.001 0.000 0.234 190 R C 2.161 178.362 176.300 -0.165 0.000 1.134 190 R CA 2.315 58.208 56.100 -0.345 0.000 0.952 190 R CB -0.502 29.486 30.300 -0.519 0.000 0.850 190 R HN 0.601 nan 8.270 nan 0.000 0.433 191 D N -0.453 119.859 120.400 -0.146 0.000 2.123 191 D HA -0.196 4.444 4.640 0.001 0.000 0.196 191 D C 1.641 178.026 176.300 0.141 0.000 0.992 191 D CA 1.321 55.316 54.000 -0.009 0.000 0.833 191 D CB -0.113 40.690 40.800 0.004 0.000 0.954 191 D HN 0.176 nan 8.370 nan 0.000 0.455 192 F N 1.068 120.941 119.950 -0.129 0.000 2.095 192 F HA -0.103 4.425 4.527 0.001 0.000 0.298 192 F C 2.343 178.080 175.800 -0.105 0.000 1.104 192 F CA 0.984 58.905 58.000 -0.131 0.000 1.232 192 F CB -0.755 38.125 39.000 -0.200 0.000 0.987 192 F HN 0.004 nan 8.300 nan 0.000 0.475 193 K N 0.395 120.856 120.400 0.101 0.000 2.097 193 K HA -0.150 4.171 4.320 0.001 0.000 0.206 193 K C 1.950 178.558 176.600 0.014 0.000 1.049 193 K CA 1.068 57.374 56.287 0.032 0.000 0.933 193 K CB -0.787 31.714 32.500 0.002 0.000 0.717 193 K HN 0.453 nan 8.250 nan 0.000 0.442 194 Q N 0.209 120.014 119.800 0.008 0.000 2.119 194 Q HA -0.044 4.296 4.340 0.001 0.000 0.201 194 Q C 1.844 177.848 176.000 0.006 0.000 0.972 194 Q CA 1.084 56.888 55.803 0.001 0.000 0.847 194 Q CB -0.043 28.691 28.738 -0.007 0.000 0.903 194 Q HN 0.249 nan 8.270 nan 0.000 0.433 195 R N -0.622 119.887 120.500 0.015 0.000 2.310 195 R HA 0.089 4.429 4.340 0.001 0.000 0.202 195 R C 0.776 177.063 176.300 -0.021 0.000 0.933 195 R CA 0.547 56.647 56.100 -0.000 0.000 1.054 195 R CB 0.549 30.851 30.300 0.004 0.000 0.985 195 R HN 0.373 nan 8.270 nan 0.000 0.489 196 G N 1.096 109.885 108.800 -0.018 0.000 2.136 196 G HA2 -0.243 3.718 3.960 0.001 0.000 0.242 196 G HA3 -0.243 3.718 3.960 0.001 0.000 0.242 196 G C 0.171 175.033 174.900 -0.062 0.000 0.989 196 G CA -0.042 45.041 45.100 -0.027 0.000 0.682 196 G HN 0.133 nan 8.290 nan 0.000 0.522 197 V N 2.594 122.437 119.914 -0.119 0.000 2.529 197 V HA 0.299 4.419 4.120 0.001 0.000 0.292 197 V C -0.910 175.092 176.094 -0.153 0.000 1.028 197 V CA -0.605 61.545 62.300 -0.250 0.000 1.074 197 V CB 1.011 32.428 31.823 -0.676 0.000 0.958 197 V HN 0.314 nan 8.190 nan 0.000 0.481 198 P HA 0.259 nan 4.420 nan 0.000 0.267 198 P C -0.622 176.704 177.300 0.043 0.000 1.328 198 P CA 0.415 63.524 63.100 0.016 0.000 0.990 198 P CB 0.583 32.325 31.700 0.069 0.000 1.168 199 I N 2.859 123.422 120.570 -0.011 0.000 2.607 199 I HA 0.267 4.437 4.170 0.001 0.000 0.290 199 I C -0.080 176.079 176.117 0.069 0.000 1.129 199 I CA -0.646 60.624 61.300 -0.049 0.000 1.042 199 I CB 2.525 40.354 38.000 -0.285 0.000 1.242 199 I HN 0.030 nan 8.210 nan 0.000 0.421 200 D N 5.834 126.321 120.400 0.146 0.000 2.454 200 D HA 0.185 4.825 4.640 0.001 0.000 0.214 200 D C -0.179 176.208 176.300 0.144 0.000 1.088 200 D CA 0.435 54.517 54.000 0.137 0.000 0.855 200 D CB 0.718 41.608 40.800 0.148 0.000 1.025 200 D HN 0.573 nan 8.370 nan 0.000 0.502 201 c N -0.755 117.945 118.600 0.168 0.000 3.285 201 c HA 0.768 5.338 4.570 0.001 0.000 0.325 201 c C -0.639 173.541 174.090 0.150 0.000 1.304 201 c CA -1.002 55.424 56.329 0.162 0.000 1.319 201 c CB 1.565 44.172 42.510 0.161 0.000 1.640 201 c HN -0.112 nan 8.230 nan 0.000 0.477 202 V N 1.437 121.415 119.914 0.106 0.000 2.487 202 V HA 0.798 4.919 4.120 0.001 0.000 0.298 202 V C 0.654 176.662 176.094 -0.143 0.000 1.028 202 V CA 0.229 62.490 62.300 -0.065 0.000 0.860 202 V CB 1.733 33.411 31.823 -0.241 0.000 0.991 202 V HN 1.357 nan 8.190 nan 0.000 0.427 203 G N 3.250 111.890 108.800 -0.267 0.000 2.356 203 G HA2 0.658 4.619 3.960 0.001 0.000 0.322 203 G HA3 0.658 4.619 3.960 0.001 0.000 0.322 203 G C -1.223 173.417 174.900 -0.434 0.000 1.125 203 G CA -0.266 44.723 45.100 -0.185 0.000 0.885 203 G HN 0.418 nan 8.290 nan 0.000 0.467 204 F N 1.068 120.985 119.950 -0.055 0.000 2.375 204 F HA 0.294 4.821 4.527 0.001 0.000 0.361 204 F C 1.453 177.196 175.800 -0.095 0.000 1.117 204 F CA -0.831 57.147 58.000 -0.038 0.000 1.037 204 F CB 2.234 41.337 39.000 0.172 0.000 1.192 204 F HN 0.650 nan 8.300 nan 0.000 0.452 205 Q N 2.272 122.027 119.800 -0.075 0.000 2.096 205 Q HA -0.230 4.110 4.340 0.001 0.000 0.208 205 Q C 0.715 176.597 176.000 -0.197 0.000 0.993 205 Q CA 2.498 58.200 55.803 -0.168 0.000 0.862 205 Q CB -0.035 28.611 28.738 -0.153 0.000 0.915 205 Q HN 0.715 nan 8.270 nan 0.000 0.416 206 S N -0.191 115.309 115.700 -0.335 0.000 3.711 206 S HA -0.222 4.249 4.470 0.001 0.000 0.374 206 S C -0.792 173.246 174.600 -0.937 0.000 0.969 206 S CA 0.746 58.429 58.200 -0.863 0.000 1.198 206 S CB -2.057 60.928 63.200 -0.358 0.000 0.903 206 S HN 0.749 nan 8.310 nan 0.000 0.493 207 H N 0.980 119.598 119.070 -0.754 0.000 2.787 207 H HA 0.574 5.131 4.556 0.001 0.000 0.275 207 H C -0.591 174.493 175.328 -0.407 0.000 1.183 207 H CA -0.668 55.167 56.048 -0.354 0.000 1.290 207 H CB -0.302 29.434 29.762 -0.044 0.000 1.438 207 H HN 0.209 nan 8.280 nan 0.000 0.487 208 F N 4.575 124.416 119.950 -0.180 0.000 2.420 208 F HA 0.356 4.884 4.527 0.001 0.000 0.342 208 F C 0.476 176.133 175.800 -0.239 0.000 1.113 208 F CA -0.640 57.239 58.000 -0.203 0.000 1.059 208 F CB 0.935 39.858 39.000 -0.127 0.000 1.128 208 F HN 0.683 nan 8.300 nan 0.000 0.475 209 N N -1.146 117.552 118.700 -0.002 0.000 3.106 209 N HA 0.170 4.911 4.740 0.001 0.000 0.253 209 N C 0.033 175.557 175.510 0.023 0.000 1.506 209 N CA -0.574 52.457 53.050 -0.033 0.000 0.876 209 N CB 1.364 39.773 38.487 -0.130 0.000 1.452 209 N HN 0.363 nan 8.380 nan 0.000 0.542 210 S N -1.288 114.426 115.700 0.023 0.000 2.500 210 S HA -0.039 4.432 4.470 0.001 0.000 0.239 210 S C 1.607 176.246 174.600 0.065 0.000 0.989 210 S CA 1.244 59.469 58.200 0.043 0.000 0.951 210 S CB -0.861 62.360 63.200 0.035 0.000 0.759 210 S HN 0.725 nan 8.310 nan 0.000 0.523 211 G N -0.074 108.766 108.800 0.066 0.000 2.551 211 G HA2 0.208 4.168 3.960 0.001 0.000 0.216 211 G HA3 0.208 4.168 3.960 0.001 0.000 0.216 211 G C 0.526 175.531 174.900 0.175 0.000 1.137 211 G CA 0.450 45.614 45.100 0.107 0.000 0.798 211 G HN 0.621 nan 8.290 nan 0.000 0.536 212 S N 0.897 116.682 115.700 0.141 0.000 2.386 212 S HA 0.510 4.980 4.470 0.001 0.000 0.152 212 S C -2.974 171.700 174.600 0.123 0.000 1.511 212 S CA -1.010 57.281 58.200 0.151 0.000 1.246 212 S CB 1.155 64.422 63.200 0.112 0.000 1.338 212 S HN -0.067 nan 8.310 nan 0.000 0.409 213 P HA 0.124 nan 4.420 nan 0.000 0.271 213 P C -0.715 176.554 177.300 -0.051 0.000 1.218 213 P CA -0.228 62.907 63.100 0.057 0.000 0.780 213 P CB 0.170 31.892 31.700 0.037 0.000 0.901 214 Y N 2.981 123.043 120.300 -0.397 0.000 2.480 214 Y HA 0.190 4.741 4.550 0.001 0.000 0.338 214 Y C 0.062 175.721 175.900 -0.400 0.000 1.220 214 Y CA 0.374 57.934 58.100 -0.901 0.000 1.430 214 Y CB 0.315 38.053 38.460 -1.204 0.000 1.311 214 Y HN 0.317 nan 8.280 nan 0.000 0.575 215 N N 2.267 120.223 118.700 -1.241 0.000 2.235 215 N HA 0.083 4.824 4.740 0.001 0.000 0.293 215 N C 0.233 175.116 175.510 -1.046 0.000 1.083 215 N CA 0.215 52.777 53.050 -0.814 0.000 0.801 215 N CB 2.116 40.390 38.487 -0.355 0.000 1.559 215 N HN 0.814 nan 8.380 nan 0.000 0.472 216 S N 2.270 117.621 115.700 -0.580 0.000 2.440 216 S HA -0.232 4.238 4.470 0.001 0.000 0.238 216 S C 1.195 175.697 174.600 -0.162 0.000 1.010 216 S CA 1.498 59.532 58.200 -0.276 0.000 0.972 216 S CB -0.577 62.578 63.200 -0.075 0.000 0.774 216 S HN 0.785 nan 8.310 nan 0.000 0.501 217 N N 1.006 119.618 118.700 -0.146 0.000 2.609 217 N HA -0.054 4.686 4.740 0.001 0.000 0.190 217 N C 1.020 176.543 175.510 0.021 0.000 1.157 217 N CA 0.463 53.486 53.050 -0.045 0.000 0.918 217 N CB -0.950 37.556 38.487 0.031 0.000 0.978 217 N HN 0.430 nan 8.380 nan 0.000 0.448 218 F N 1.855 121.681 119.950 -0.207 0.000 2.161 218 F HA 0.004 4.532 4.527 0.001 0.000 0.300 218 F C 2.315 178.046 175.800 -0.115 0.000 1.089 218 F CA 0.990 58.912 58.000 -0.130 0.000 1.282 218 F CB -0.379 38.571 39.000 -0.083 0.000 1.010 218 F HN 0.098 nan 8.300 nan 0.000 0.485 219 R N -0.400 120.002 120.500 -0.163 0.000 2.096 219 R HA -0.139 4.201 4.340 0.001 0.000 0.235 219 R C 1.969 178.110 176.300 -0.266 0.000 1.127 219 R CA 2.024 57.956 56.100 -0.279 0.000 0.968 219 R CB -0.538 29.680 30.300 -0.138 0.000 0.861 219 R HN 0.293 nan 8.270 nan 0.000 0.440 220 T N -0.132 114.296 114.554 -0.210 0.000 2.821 220 T HA -0.093 4.258 4.350 0.001 0.000 0.267 220 T C 1.710 176.197 174.700 -0.354 0.000 1.046 220 T CA 1.781 63.707 62.100 -0.290 0.000 1.139 220 T CB -0.304 68.376 68.868 -0.312 0.000 0.871 220 T HN 0.349 nan 8.240 nan 0.000 0.454 221 T N 2.615 117.065 114.554 -0.174 0.000 2.708 221 T HA 0.029 4.379 4.350 0.001 0.000 0.266 221 T C 2.000 176.720 174.700 0.033 0.000 1.037 221 T CA 0.915 63.063 62.100 0.080 0.000 1.146 221 T CB -0.512 68.573 68.868 0.362 0.000 0.865 221 T HN 0.251 nan 8.240 nan 0.000 0.435 222 L N 0.695 121.724 121.223 -0.323 0.000 2.042 222 L HA -0.184 4.156 4.340 0.001 0.000 0.210 222 L C 2.893 179.695 176.870 -0.113 0.000 1.076 222 L CA 1.526 56.141 54.840 -0.375 0.000 0.749 222 L CB -0.627 41.052 42.059 -0.633 0.000 0.893 222 L HN 0.341 nan 8.230 nan 0.000 0.432 223 Q N -0.423 119.277 119.800 -0.167 0.000 2.119 223 Q HA -0.157 4.184 4.340 0.001 0.000 0.201 223 Q C 2.029 177.973 176.000 -0.094 0.000 0.972 223 Q CA 1.234 56.962 55.803 -0.125 0.000 0.847 223 Q CB -0.101 28.536 28.738 -0.169 0.000 0.903 223 Q HN 0.488 nan 8.270 nan 0.000 0.433 224 N N 0.168 118.762 118.700 -0.177 0.000 2.142 224 N HA -0.113 4.627 4.740 0.001 0.000 0.186 224 N C 1.416 176.970 175.510 0.073 0.000 1.023 224 N CA 1.129 54.047 53.050 -0.219 0.000 0.852 224 N CB -0.280 37.759 38.487 -0.746 0.000 0.998 224 N HN 0.172 nan 8.380 nan 0.000 0.424 225 F N 1.355 121.404 119.950 0.164 0.000 2.186 225 F HA -0.012 4.516 4.527 0.001 0.000 0.299 225 F C 2.357 178.247 175.800 0.150 0.000 1.090 225 F CA 0.924 59.091 58.000 0.278 0.000 1.307 225 F CB -0.435 38.789 39.000 0.372 0.000 1.019 225 F HN 0.009 nan 8.300 nan 0.000 0.489 226 A N -0.057 122.914 122.820 0.252 0.000 1.933 226 A HA -0.097 4.223 4.320 0.001 0.000 0.218 226 A C 2.323 179.962 177.584 0.091 0.000 1.175 226 A CA 1.581 53.700 52.037 0.138 0.000 0.628 226 A CB -1.236 17.800 19.000 0.060 0.000 0.814 226 A HN 0.294 nan 8.150 nan 0.000 0.444 227 A N -0.599 122.261 122.820 0.068 0.000 2.121 227 A HA 0.109 4.429 4.320 0.001 0.000 0.218 227 A C 1.888 179.499 177.584 0.044 0.000 1.154 227 A CA 1.050 53.109 52.037 0.038 0.000 0.679 227 A CB -0.486 18.520 19.000 0.010 0.000 0.795 227 A HN 0.482 nan 8.150 nan 0.000 0.458 228 L N -1.495 119.766 121.223 0.063 0.000 2.554 228 L HA 0.148 4.488 4.340 0.001 0.000 0.226 228 L C 1.547 178.435 176.870 0.030 0.000 1.137 228 L CA 0.638 55.488 54.840 0.017 0.000 0.863 228 L CB -0.153 41.884 42.059 -0.036 0.000 0.985 228 L HN 0.578 nan 8.230 nan 0.000 0.451 229 G N 0.753 109.587 108.800 0.055 0.000 2.141 229 G HA2 -0.179 3.782 3.960 0.001 0.000 0.195 229 G HA3 -0.179 3.782 3.960 0.001 0.000 0.195 229 G C -0.067 174.877 174.900 0.073 0.000 1.012 229 G CA 0.002 45.133 45.100 0.052 0.000 0.696 229 G HN 0.218 nan 8.290 nan 0.000 0.508 230 V N -3.385 116.592 119.914 0.106 0.000 3.040 230 V HA 0.892 5.012 4.120 0.001 0.000 0.312 230 V C -0.302 175.875 176.094 0.138 0.000 1.115 230 V CA -1.447 60.929 62.300 0.126 0.000 0.998 230 V CB 2.151 34.070 31.823 0.159 0.000 1.042 230 V HN 0.026 nan 8.190 nan 0.000 0.433 231 D N 1.265 121.743 120.400 0.130 0.000 2.354 231 D HA 0.628 5.269 4.640 0.001 0.000 0.247 231 D C -0.026 176.366 176.300 0.153 0.000 1.138 231 D CA 0.119 54.191 54.000 0.120 0.000 0.958 231 D CB 2.011 42.877 40.800 0.110 0.000 1.144 231 D HN 0.988 nan 8.370 nan 0.000 0.458 232 V N -3.089 116.906 119.914 0.135 0.000 2.962 232 V HA 0.950 5.071 4.120 0.001 0.000 0.313 232 V C -0.938 175.241 176.094 0.143 0.000 1.099 232 V CA -0.995 61.419 62.300 0.189 0.000 0.971 232 V CB 1.562 33.485 31.823 0.165 0.000 1.028 232 V HN 0.689 nan 8.190 nan 0.000 0.430 233 A N 3.329 126.277 122.820 0.212 0.000 2.520 233 A HA 0.852 5.173 4.320 0.001 0.000 0.298 233 A C -0.993 176.725 177.584 0.223 0.000 1.051 233 A CA -0.646 51.487 52.037 0.161 0.000 0.690 233 A CB 1.540 20.650 19.000 0.184 0.000 1.281 233 A HN 0.960 nan 8.150 nan 0.000 0.402 234 I N 2.868 123.530 120.570 0.153 0.000 2.291 234 I HA 0.197 4.368 4.170 0.001 0.000 0.292 234 I C 1.539 177.726 176.117 0.116 0.000 1.064 234 I CA 0.038 61.454 61.300 0.193 0.000 1.269 234 I CB 1.530 39.636 38.000 0.176 0.000 1.418 234 I HN 0.912 nan 8.210 nan 0.000 0.485 235 T N 0.989 115.587 114.554 0.073 0.000 3.031 235 T HA 0.136 4.486 4.350 0.001 0.000 0.254 235 T C 0.814 175.482 174.700 -0.052 0.000 1.060 235 T CA 0.377 62.472 62.100 -0.008 0.000 1.135 235 T CB 0.059 68.863 68.868 -0.106 0.000 0.896 235 T HN 0.590 nan 8.240 nan 0.000 0.472 236 E N 0.968 121.100 120.200 -0.115 0.000 3.843 236 E HA 0.336 4.687 4.350 0.001 0.000 0.189 236 E C -0.986 175.632 176.600 0.030 0.000 1.013 236 E CA -0.521 55.786 56.400 -0.155 0.000 1.395 236 E CB 0.604 29.814 29.700 -0.817 0.000 1.136 236 E HN 0.216 nan 8.360 nan 0.000 0.444 237 L N 3.065 124.352 121.223 0.107 0.000 2.559 237 L HA 0.075 4.415 4.340 0.001 0.000 0.274 237 L C -0.607 176.427 176.870 0.273 0.000 1.205 237 L CA 0.820 55.744 54.840 0.141 0.000 0.907 237 L CB 0.024 42.196 42.059 0.188 0.000 1.153 237 L HN 0.197 nan 8.230 nan 0.000 0.490 238 D N 4.034 124.568 120.400 0.224 0.000 2.803 238 D HA 0.487 5.128 4.640 0.001 0.000 0.218 238 D C -1.034 175.357 176.300 0.152 0.000 1.245 238 D CA -0.362 53.826 54.000 0.313 0.000 0.821 238 D CB 0.519 41.605 40.800 0.476 0.000 1.626 238 D HN 0.393 nan 8.370 nan 0.000 0.487 239 I N 0.916 121.537 120.570 0.085 0.000 2.478 239 I HA 0.235 4.405 4.170 0.001 0.000 0.287 239 I C -0.125 176.041 176.117 0.083 0.000 1.042 239 I CA -0.950 60.354 61.300 0.007 0.000 1.067 239 I CB 2.112 39.944 38.000 -0.281 0.000 1.233 239 I HN 0.411 nan 8.210 nan 0.000 0.431 240 Q N 4.931 124.763 119.800 0.054 0.000 2.262 240 Q HA 0.098 4.438 4.340 0.001 0.000 0.298 240 Q C 1.216 177.253 176.000 0.061 0.000 1.083 240 Q CA 1.522 57.356 55.803 0.052 0.000 0.962 240 Q CB 0.344 29.090 28.738 0.014 0.000 1.104 240 Q HN 1.012 nan 8.270 nan 0.000 0.376 241 G N 3.193 112.040 108.800 0.078 0.000 2.205 241 G HA2 -0.349 3.612 3.960 0.001 0.000 0.261 241 G HA3 -0.349 3.612 3.960 0.001 0.000 0.261 241 G C 0.529 175.489 174.900 0.101 0.000 0.980 241 G CA 0.248 45.389 45.100 0.068 0.000 0.632 241 G HN 1.914 nan 8.290 nan 0.000 0.533 242 A N -1.124 121.798 122.820 0.170 0.000 2.687 242 A HA 0.091 4.411 4.320 0.001 0.000 0.299 242 A C 1.304 179.037 177.584 0.248 0.000 1.497 242 A CA 1.798 54.027 52.037 0.320 0.000 0.751 242 A CB -1.972 17.204 19.000 0.295 0.000 1.048 242 A HN 2.475 nan 8.150 nan 0.000 0.464 243 S N -0.014 115.765 115.700 0.131 0.000 2.575 243 S HA 0.288 4.758 4.470 0.001 0.000 0.295 243 S C 1.567 176.243 174.600 0.126 0.000 1.267 243 S CA 0.476 58.719 58.200 0.072 0.000 1.074 243 S CB 0.478 63.684 63.200 0.010 0.000 0.829 243 S HN 1.079 nan 8.310 nan 0.000 0.497 244 S N 4.248 119.997 115.700 0.082 0.000 2.368 244 S HA -0.093 4.377 4.470 0.001 0.000 0.225 244 S C 2.201 176.855 174.600 0.090 0.000 1.030 244 S CA 1.611 59.874 58.200 0.104 0.000 0.999 244 S CB -0.449 62.797 63.200 0.077 0.000 0.844 244 S HN 0.809 nan 8.310 nan 0.000 0.459 245 S N 1.172 116.897 115.700 0.041 0.000 2.368 245 S HA -0.090 4.380 4.470 0.001 0.000 0.225 245 S C 2.117 176.689 174.600 -0.047 0.000 1.030 245 S CA 1.515 59.724 58.200 0.016 0.000 0.999 245 S CB -0.616 62.592 63.200 0.012 0.000 0.844 245 S HN 0.597 nan 8.310 nan 0.000 0.459 246 T N 0.727 115.226 114.554 -0.093 0.000 2.777 246 T HA -0.046 4.304 4.350 0.001 0.000 0.266 246 T C 1.511 176.029 174.700 -0.304 0.000 1.040 246 T CA 1.065 62.988 62.100 -0.296 0.000 1.141 246 T CB -0.413 68.279 68.868 -0.293 0.000 0.868 246 T HN 0.336 nan 8.240 nan 0.000 0.444 247 Y N 1.609 121.842 120.300 -0.112 0.000 2.181 247 Y HA 0.005 4.556 4.550 0.001 0.000 0.288 247 Y C 2.684 178.558 175.900 -0.044 0.000 1.146 247 Y CA 0.631 58.708 58.100 -0.038 0.000 1.164 247 Y CB -0.735 37.736 38.460 0.019 0.000 0.982 247 Y HN 0.205 nan 8.280 nan 0.000 0.515 248 A N -0.465 122.420 122.820 0.108 0.000 1.930 248 A HA -0.069 4.251 4.320 0.001 0.000 0.217 248 A C 2.429 180.014 177.584 0.002 0.000 1.175 248 A CA 1.566 53.635 52.037 0.053 0.000 0.627 248 A CB -1.193 17.829 19.000 0.038 0.000 0.815 248 A HN 0.403 nan 8.150 nan 0.000 0.443 249 A N -0.428 122.341 122.820 -0.085 0.000 1.877 249 A HA -0.031 4.289 4.320 0.001 0.000 0.216 249 A C 2.211 179.730 177.584 -0.109 0.000 1.186 249 A CA 1.864 53.829 52.037 -0.120 0.000 0.620 249 A CB -0.973 17.876 19.000 -0.253 0.000 0.822 249 A HN 0.402 nan 8.150 nan 0.000 0.443 250 V N -0.205 119.577 119.914 -0.219 0.000 2.407 250 V HA -0.216 3.905 4.120 0.001 0.000 0.248 250 V C 2.720 178.880 176.094 0.111 0.000 1.055 250 V CA 2.403 64.705 62.300 0.002 0.000 1.049 250 V CB -1.272 30.562 31.823 0.018 0.000 0.662 250 V HN 0.615 nan 8.190 nan 0.000 0.455 251 T N 0.326 114.949 114.554 0.116 0.000 2.708 251 T HA -0.166 4.185 4.350 0.001 0.000 0.266 251 T C 1.824 176.567 174.700 0.072 0.000 1.037 251 T CA 1.602 63.788 62.100 0.143 0.000 1.146 251 T CB -0.369 68.592 68.868 0.156 0.000 0.865 251 T HN 0.418 nan 8.240 nan 0.000 0.435 252 N N 1.237 119.963 118.700 0.043 0.000 2.309 252 N HA -0.073 4.667 4.740 0.001 0.000 0.182 252 N C 1.422 176.933 175.510 0.002 0.000 1.018 252 N CA 0.778 53.840 53.050 0.019 0.000 0.876 252 N CB -0.294 38.203 38.487 0.016 0.000 0.972 252 N HN 0.384 nan 8.380 nan 0.000 0.434 253 D N 0.191 120.598 120.400 0.011 0.000 2.117 253 D HA -0.094 4.546 4.640 0.001 0.000 0.198 253 D C 1.990 178.224 176.300 -0.109 0.000 0.982 253 D CA 0.530 54.502 54.000 -0.048 0.000 0.828 253 D CB -0.465 40.315 40.800 -0.033 0.000 0.967 253 D HN 0.193 nan 8.370 nan 0.000 0.464 254 c N 0.462 119.020 118.600 -0.071 0.000 2.446 254 c HA 0.003 4.573 4.570 0.001 0.000 0.277 254 c C 2.752 176.801 174.090 -0.068 0.000 1.275 254 c CA 0.198 56.472 56.329 -0.091 0.000 1.727 254 c CB -1.227 41.249 42.510 -0.056 0.000 2.010 254 c HN 0.276 nan 8.230 nan 0.000 0.486 255 L N 1.010 122.212 121.223 -0.035 0.000 2.265 255 L HA -0.060 4.280 4.340 0.001 0.000 0.215 255 L C 2.706 179.553 176.870 -0.038 0.000 1.117 255 L CA 1.363 56.187 54.840 -0.027 0.000 0.782 255 L CB -0.504 41.550 42.059 -0.008 0.000 0.914 255 L HN 0.451 nan 8.230 nan 0.000 0.441 256 A N -0.903 121.886 122.820 -0.051 0.000 2.218 256 A HA 0.193 4.513 4.320 0.001 0.000 0.209 256 A C 0.744 178.286 177.584 -0.070 0.000 1.168 256 A CA 0.177 52.181 52.037 -0.056 0.000 0.804 256 A CB 0.068 19.032 19.000 -0.060 0.000 0.834 256 A HN 0.118 nan 8.150 nan 0.000 0.482 257 V N 1.385 121.250 119.914 -0.081 0.000 2.350 257 V HA 0.148 4.269 4.120 0.001 0.000 0.285 257 V C 1.416 177.477 176.094 -0.056 0.000 1.014 257 V CA 0.198 62.449 62.300 -0.082 0.000 0.831 257 V CB 0.993 32.742 31.823 -0.123 0.000 1.000 257 V HN 0.576 nan 8.190 nan 0.000 0.433 258 S N 4.538 120.215 115.700 -0.038 0.000 2.402 258 S HA -0.171 4.299 4.470 0.001 0.000 0.233 258 S C 1.531 176.123 174.600 -0.014 0.000 1.030 258 S CA 1.019 59.206 58.200 -0.022 0.000 1.003 258 S CB -0.224 62.968 63.200 -0.013 0.000 0.813 258 S HN 0.689 nan 8.310 nan 0.000 0.477 259 R N 0.081 120.576 120.500 -0.009 0.000 2.310 259 R HA 0.202 4.543 4.340 0.001 0.000 0.202 259 R C 0.238 176.541 176.300 0.004 0.000 0.933 259 R CA 0.031 56.138 56.100 0.012 0.000 1.054 259 R CB -0.675 29.646 30.300 0.035 0.000 0.985 259 R HN 0.475 nan 8.270 nan 0.000 0.489 260 c N 1.867 120.446 118.600 -0.034 0.000 2.416 260 c HA 0.197 4.767 4.570 0.001 0.000 0.355 260 c C 2.007 176.045 174.090 -0.087 0.000 1.211 260 c CA -0.612 55.681 56.329 -0.061 0.000 1.699 260 c CB -1.052 41.395 42.510 -0.105 0.000 2.310 260 c HN 0.465 nan 8.230 nan 0.000 0.539 261 L N 5.398 126.577 121.223 -0.073 0.000 2.141 261 L HA 0.221 4.561 4.340 0.001 0.000 0.209 261 L C 1.552 178.113 176.870 -0.514 0.000 1.094 261 L CA 1.219 55.995 54.840 -0.107 0.000 0.763 261 L CB -0.711 41.413 42.059 0.108 0.000 0.908 261 L HN 0.944 nan 8.230 nan 0.000 0.437 262 G N -0.759 107.602 108.800 -0.731 0.000 2.315 262 G HA2 0.382 4.342 3.960 0.001 0.000 0.294 262 G HA3 0.382 4.342 3.960 0.001 0.000 0.294 262 G C -1.794 172.688 174.900 -0.697 0.000 1.300 262 G CA -0.786 43.595 45.100 -1.200 0.000 0.843 262 G HN -0.102 nan 8.290 nan 0.000 0.527 263 I N 0.437 120.688 120.570 -0.533 0.000 2.498 263 I HA 0.528 4.699 4.170 0.001 0.000 0.290 263 I C -0.394 175.512 176.117 -0.351 0.000 1.032 263 I CA -0.665 60.437 61.300 -0.330 0.000 1.073 263 I CB 2.656 40.431 38.000 -0.376 0.000 1.251 263 I HN 0.370 nan 8.210 nan 0.000 0.426 264 T N 5.346 119.836 114.554 -0.107 0.000 2.792 264 T HA 0.443 4.793 4.350 0.001 0.000 0.280 264 T C -0.303 174.400 174.700 0.004 0.000 0.990 264 T CA -0.532 61.532 62.100 -0.060 0.000 0.960 264 T CB 1.599 70.509 68.868 0.070 0.000 0.939 264 T HN 0.373 nan 8.240 nan 0.000 0.439 265 V N 1.276 121.202 119.914 0.021 0.000 2.567 265 V HA 0.466 4.587 4.120 0.001 0.000 0.289 265 V C 0.246 176.455 176.094 0.190 0.000 1.049 265 V CA -1.123 61.308 62.300 0.218 0.000 0.969 265 V CB 1.236 33.294 31.823 0.391 0.000 0.995 265 V HN 0.998 nan 8.190 nan 0.000 0.471 266 W N 5.226 126.542 121.300 0.027 0.000 1.438 266 W HA 0.544 5.204 4.660 0.001 0.000 0.455 266 W C 0.570 177.099 176.519 0.015 0.000 0.656 266 W CA 0.725 58.038 57.345 -0.054 0.000 2.049 266 W CB 0.023 29.412 29.460 -0.118 0.000 1.683 266 W HN 1.224 nan 8.180 nan 0.000 0.228 267 G N 0.087 108.751 108.800 -0.227 0.000 2.334 267 G HA2 -0.075 3.886 3.960 0.001 0.000 0.566 267 G HA3 -0.075 3.886 3.960 0.001 0.000 0.566 267 G C -0.601 174.275 174.900 -0.040 0.000 1.413 267 G CA -0.667 44.341 45.100 -0.154 0.000 0.993 267 G HN 0.033 nan 8.290 nan 0.000 0.642 268 V N 0.448 120.363 119.914 0.002 0.000 2.398 268 V HA 0.296 4.416 4.120 0.001 0.000 0.236 268 V C 1.540 177.757 176.094 0.204 0.000 1.054 268 V CA 1.536 63.862 62.300 0.043 0.000 1.060 268 V CB -0.414 31.269 31.823 -0.233 0.000 0.707 268 V HN 0.689 nan 8.190 nan 0.000 0.480 269 R N 0.441 121.052 120.500 0.185 0.000 2.720 269 R HA 0.305 4.646 4.340 0.001 0.000 0.272 269 R C 0.614 177.037 176.300 0.204 0.000 0.991 269 R CA -0.671 55.563 56.100 0.225 0.000 1.010 269 R CB 0.861 31.265 30.300 0.175 0.000 1.141 269 R HN 0.149 nan 8.270 nan 0.000 0.494 270 D N 0.679 121.196 120.400 0.194 0.000 2.158 270 D HA -0.162 4.478 4.640 0.001 0.000 0.197 270 D C 1.625 178.010 176.300 0.141 0.000 0.995 270 D CA 2.122 56.224 54.000 0.170 0.000 0.846 270 D CB -0.152 40.731 40.800 0.138 0.000 0.941 270 D HN 0.686 nan 8.370 nan 0.000 0.456 271 T N -1.658 112.968 114.554 0.120 0.000 3.051 271 T HA -0.088 4.262 4.350 0.001 0.000 0.269 271 T C 1.074 175.827 174.700 0.088 0.000 1.127 271 T CA 0.737 62.892 62.100 0.092 0.000 1.107 271 T CB 0.055 68.966 68.868 0.072 0.000 0.898 271 T HN 0.002 nan 8.240 nan 0.000 0.517 272 D N 1.132 121.600 120.400 0.114 0.000 2.360 272 D HA 0.155 4.795 4.640 0.001 0.000 0.210 272 D C 0.794 177.166 176.300 0.120 0.000 1.047 272 D CA 0.099 54.155 54.000 0.094 0.000 0.854 272 D CB 0.229 41.116 40.800 0.145 0.000 0.936 272 D HN 0.413 nan 8.370 nan 0.000 0.514 273 S N 1.095 116.901 115.700 0.177 0.000 2.576 273 S HA 0.045 4.516 4.470 0.001 0.000 0.276 273 S C 1.166 175.970 174.600 0.339 0.000 1.339 273 S CA -0.784 57.589 58.200 0.289 0.000 1.039 273 S CB 0.603 63.984 63.200 0.302 0.000 0.902 273 S HN 0.347 nan 8.310 nan 0.000 0.516 274 W N 4.966 126.348 121.300 0.137 0.000 2.937 274 W HA 0.276 4.937 4.660 0.001 0.000 0.245 274 W C 0.074 176.659 176.519 0.110 0.000 1.306 274 W CA -0.150 57.270 57.345 0.125 0.000 1.470 274 W CB -0.619 28.950 29.460 0.181 0.000 1.132 274 W HN 0.504 nan 8.180 nan 0.000 0.675 275 R N 1.376 121.825 120.500 -0.086 0.000 2.718 275 R HA 0.052 4.392 4.340 0.001 0.000 0.307 275 R C 1.564 177.869 176.300 0.008 0.000 1.244 275 R CA 0.673 56.646 56.100 -0.212 0.000 1.348 275 R CB -0.139 29.919 30.300 -0.404 0.000 1.304 275 R HN 0.196 nan 8.270 nan 0.000 0.663 276 S N -1.015 114.722 115.700 0.061 0.000 2.402 276 S HA -0.143 4.328 4.470 0.001 0.000 0.233 276 S C 1.923 176.559 174.600 0.060 0.000 1.030 276 S CA 1.512 59.762 58.200 0.084 0.000 1.003 276 S CB -0.192 63.056 63.200 0.081 0.000 0.813 276 S HN 0.476 nan 8.310 nan 0.000 0.477 277 G N 1.251 110.069 108.800 0.031 0.000 2.470 277 G HA2 -0.105 3.856 3.960 0.001 0.000 0.220 277 G HA3 -0.105 3.856 3.960 0.001 0.000 0.220 277 G C 0.900 175.819 174.900 0.033 0.000 1.121 277 G CA 0.840 45.956 45.100 0.027 0.000 0.766 277 G HN 0.544 nan 8.290 nan 0.000 0.553 278 D N 0.623 121.046 120.400 0.038 0.000 2.340 278 D HA 0.047 4.687 4.640 0.001 0.000 0.217 278 D C 1.363 177.713 176.300 0.084 0.000 1.081 278 D CA 0.900 54.930 54.000 0.050 0.000 0.842 278 D CB -0.207 40.618 40.800 0.041 0.000 0.934 278 D HN 0.346 nan 8.370 nan 0.000 0.511 279 T N 0.049 114.659 114.554 0.093 0.000 3.107 279 T HA -0.157 4.193 4.350 0.001 0.000 0.431 279 T C -1.677 173.117 174.700 0.156 0.000 0.773 279 T CA 0.070 62.239 62.100 0.114 0.000 2.334 279 T CB -0.970 67.946 68.868 0.079 0.000 1.592 279 T HN 0.163 nan 8.240 nan 0.000 0.542 280 P HA 0.332 nan 4.420 nan 0.000 0.255 280 P C 0.612 178.155 177.300 0.404 0.000 1.248 280 P CA -0.245 63.021 63.100 0.277 0.000 0.807 280 P CB 0.391 32.251 31.700 0.267 0.000 1.150 281 L N -1.005 120.423 121.223 0.342 0.000 2.491 281 L HA 0.386 4.727 4.340 0.001 0.000 0.264 281 L C 1.905 178.895 176.870 0.200 0.000 1.053 281 L CA -1.071 53.981 54.840 0.354 0.000 0.858 281 L CB 0.488 42.744 42.059 0.328 0.000 1.519 281 L HN -0.294 nan 8.230 nan 0.000 0.508 282 L N -0.635 120.682 121.223 0.157 0.000 2.567 282 L HA 0.223 4.564 4.340 0.001 0.000 0.225 282 L C -0.574 176.169 176.870 -0.211 0.000 1.119 282 L CA 0.308 55.105 54.840 -0.071 0.000 0.871 282 L CB 0.110 42.116 42.059 -0.087 0.000 1.036 282 L HN 0.223 nan 8.230 nan 0.000 0.459 283 F N -0.695 119.310 119.950 0.091 0.000 2.551 283 F HA 0.377 4.904 4.527 0.001 0.000 0.316 283 F C 0.475 176.301 175.800 0.042 0.000 1.089 283 F CA -1.038 56.987 58.000 0.041 0.000 0.915 283 F CB 1.111 40.134 39.000 0.039 0.000 1.186 283 F HN -0.168 nan 8.300 nan 0.000 0.456 284 N N 0.562 119.366 118.700 0.173 0.000 2.381 284 N HA 0.138 4.879 4.740 0.001 0.000 0.254 284 N C 1.169 176.756 175.510 0.128 0.000 1.264 284 N CA 0.469 53.584 53.050 0.109 0.000 0.942 284 N CB 1.005 39.517 38.487 0.042 0.000 1.190 284 N HN 0.886 nan 8.380 nan 0.000 0.495 285 G N 0.149 109.004 108.800 0.092 0.000 2.450 285 G HA2 -0.254 3.706 3.960 0.001 0.000 0.220 285 G HA3 -0.254 3.706 3.960 0.001 0.000 0.220 285 G C 0.709 175.649 174.900 0.067 0.000 1.130 285 G CA 0.943 46.092 45.100 0.082 0.000 0.760 285 G HN 0.717 nan 8.290 nan 0.000 0.557 286 D N -0.655 119.777 120.400 0.054 0.000 2.336 286 D HA 0.231 4.872 4.640 0.001 0.000 0.229 286 D C 1.718 178.045 176.300 0.045 0.000 1.061 286 D CA 0.642 54.664 54.000 0.038 0.000 0.875 286 D CB -0.549 40.263 40.800 0.019 0.000 0.904 286 D HN 0.485 nan 8.370 nan 0.000 0.525 287 G N 0.113 108.962 108.800 0.081 0.000 2.176 287 G HA2 -0.301 3.660 3.960 0.001 0.000 0.253 287 G HA3 -0.301 3.660 3.960 0.001 0.000 0.253 287 G C 0.412 175.422 174.900 0.182 0.000 0.979 287 G CA 0.385 45.548 45.100 0.104 0.000 0.641 287 G HN 0.830 nan 8.290 nan 0.000 0.530 288 S N 0.069 115.830 115.700 0.102 0.000 2.564 288 S HA 0.563 5.034 4.470 0.001 0.000 0.278 288 S C 0.266 174.846 174.600 -0.032 0.000 1.333 288 S CA -0.158 58.058 58.200 0.028 0.000 1.048 288 S CB 1.547 64.725 63.200 -0.037 0.000 0.900 288 S HN 0.467 nan 8.310 nan 0.000 0.505 289 K N 2.110 122.381 120.400 -0.216 0.000 2.368 289 K HA 0.173 4.494 4.320 0.001 0.000 0.282 289 K C 0.204 176.615 176.600 -0.315 0.000 1.035 289 K CA -0.069 55.882 56.287 -0.562 0.000 0.973 289 K CB 0.521 32.577 32.500 -0.740 0.000 0.957 289 K HN 0.561 nan 8.250 nan 0.000 0.474 290 K N 0.963 121.185 120.400 -0.296 0.000 2.102 290 K HA 0.169 4.490 4.320 0.001 0.000 0.244 290 K C 1.191 177.745 176.600 -0.077 0.000 1.021 290 K CA -0.275 55.924 56.287 -0.147 0.000 0.913 290 K CB 0.819 33.251 32.500 -0.112 0.000 1.062 290 K HN 0.633 nan 8.250 nan 0.000 0.485 291 A N 1.216 124.018 122.820 -0.030 0.000 1.948 291 A HA -0.229 4.092 4.320 0.001 0.000 0.220 291 A C 2.148 179.756 177.584 0.041 0.000 1.177 291 A CA 2.303 54.371 52.037 0.052 0.000 0.636 291 A CB -0.944 18.096 19.000 0.066 0.000 0.815 291 A HN 0.793 nan 8.150 nan 0.000 0.449 292 A N -1.722 121.088 122.820 -0.018 0.000 2.015 292 A HA -0.064 4.257 4.320 0.001 0.000 0.219 292 A C 2.039 179.507 177.584 -0.193 0.000 1.163 292 A CA 1.534 53.530 52.037 -0.070 0.000 0.646 292 A CB -0.718 18.225 19.000 -0.096 0.000 0.806 292 A HN 0.763 nan 8.150 nan 0.000 0.448 293 Y N 1.214 121.325 120.300 -0.315 0.000 2.128 293 Y HA -0.213 4.337 4.550 0.001 0.000 0.284 293 Y C 2.566 178.311 175.900 -0.258 0.000 1.154 293 Y CA 2.466 60.335 58.100 -0.384 0.000 1.149 293 Y CB -0.711 37.427 38.460 -0.537 0.000 0.976 293 Y HN 0.288 nan 8.280 nan 0.000 0.505 294 T N 0.776 115.337 114.554 0.012 0.000 2.788 294 T HA -0.153 4.197 4.350 0.001 0.000 0.268 294 T C 2.086 176.728 174.700 -0.096 0.000 1.044 294 T CA 1.236 63.330 62.100 -0.009 0.000 1.139 294 T CB -0.708 68.204 68.868 0.073 0.000 0.867 294 T HN 0.511 nan 8.240 nan 0.000 0.454 295 A N 0.927 123.710 122.820 -0.061 0.000 1.902 295 A HA -0.039 4.282 4.320 0.001 0.000 0.217 295 A C 2.563 180.094 177.584 -0.088 0.000 1.181 295 A CA 1.301 53.322 52.037 -0.028 0.000 0.623 295 A CB -0.917 18.107 19.000 0.040 0.000 0.818 295 A HN 0.362 nan 8.150 nan 0.000 0.443 296 V N -0.420 119.382 119.914 -0.187 0.000 2.307 296 V HA -0.198 3.922 4.120 0.001 0.000 0.245 296 V C 2.472 178.383 176.094 -0.305 0.000 1.045 296 V CA 1.823 63.991 62.300 -0.220 0.000 1.024 296 V CB -0.767 30.851 31.823 -0.342 0.000 0.651 296 V HN 0.571 nan 8.190 nan 0.000 0.449 297 L N 1.158 122.104 121.223 -0.463 0.000 2.042 297 L HA -0.215 4.125 4.340 0.001 0.000 0.210 297 L C 2.341 179.094 176.870 -0.196 0.000 1.076 297 L CA 2.306 56.911 54.840 -0.392 0.000 0.749 297 L CB -1.041 40.764 42.059 -0.424 0.000 0.893 297 L HN 0.466 nan 8.230 nan 0.000 0.432 298 N N -0.366 118.248 118.700 -0.142 0.000 2.104 298 N HA -0.224 4.516 4.740 0.001 0.000 0.190 298 N C 1.761 177.235 175.510 -0.060 0.000 1.024 298 N CA 1.565 54.569 53.050 -0.078 0.000 0.853 298 N CB 0.007 38.464 38.487 -0.051 0.000 1.008 298 N HN 0.494 nan 8.380 nan 0.000 0.424 299 A N 1.666 124.450 122.820 -0.060 0.000 1.877 299 A HA -0.044 4.277 4.320 0.001 0.000 0.216 299 A C 2.477 180.043 177.584 -0.030 0.000 1.186 299 A CA 0.855 52.874 52.037 -0.030 0.000 0.620 299 A CB -0.776 18.218 19.000 -0.009 0.000 0.822 299 A HN 0.344 nan 8.150 nan 0.000 0.443 300 L N -0.137 121.054 121.223 -0.053 0.000 2.131 300 L HA -0.160 4.180 4.340 0.001 0.000 0.210 300 L C 1.437 178.285 176.870 -0.036 0.000 1.092 300 L CA 0.912 55.729 54.840 -0.038 0.000 0.759 300 L CB -0.490 41.524 42.059 -0.076 0.000 0.903 300 L HN 0.350 nan 8.230 nan 0.000 0.435 301 N N 0.324 118.994 118.700 -0.049 0.000 2.449 301 N HA 0.035 4.775 4.740 0.001 0.000 0.191 301 N C 1.155 176.650 175.510 -0.025 0.000 1.161 301 N CA 0.913 53.942 53.050 -0.036 0.000 0.863 301 N CB 0.511 38.973 38.487 -0.042 0.000 0.980 301 N HN 0.375 nan 8.380 nan 0.000 0.458 302 G N -0.043 108.744 108.800 -0.022 0.000 2.198 302 G HA2 -0.213 3.748 3.960 0.001 0.000 0.257 302 G HA3 -0.213 3.748 3.960 0.001 0.000 0.257 302 G C 0.524 175.415 174.900 -0.015 0.000 1.042 302 G CA 0.200 45.291 45.100 -0.015 0.000 0.791 302 G HN 0.560 nan 8.290 nan 0.000 0.502 314 Q N -0.799 119.056 119.800 0.091 0.000 2.306 314 Q HA 0.593 4.933 4.340 0.001 0.000 0.241 314 Q C -0.411 175.663 176.000 0.124 0.000 0.948 314 Q CA -0.122 55.764 55.803 0.140 0.000 0.886 314 Q CB 2.090 30.885 28.738 0.095 0.000 1.227 314 Q HN 0.401 nan 8.270 nan 0.000 0.457 315 I N 1.969 122.612 120.570 0.122 0.000 2.420 315 I HA 0.273 4.443 4.170 0.001 0.000 0.282 315 I C -0.468 175.743 176.117 0.157 0.000 1.019 315 I CA -0.465 60.854 61.300 0.032 0.000 1.130 315 I CB 1.240 39.083 38.000 -0.261 0.000 1.262 315 I HN 0.371 nan 8.210 nan 0.000 0.454 316 K N 4.860 125.382 120.400 0.203 0.000 2.185 316 K HA 0.564 4.884 4.320 0.001 0.000 0.269 316 K C 0.183 176.918 176.600 0.225 0.000 0.987 316 K CA -0.480 55.934 56.287 0.212 0.000 0.865 316 K CB 1.576 34.139 32.500 0.106 0.000 1.090 316 K HN 0.709 nan 8.250 nan 0.000 0.450 317 G N 2.197 111.073 108.800 0.126 0.000 2.380 317 G HA2 0.127 4.088 3.960 0.001 0.000 0.262 317 G HA3 0.127 4.088 3.960 0.001 0.000 0.262 317 G C 0.902 175.636 174.900 -0.276 0.000 1.243 317 G CA -0.678 44.196 45.100 -0.376 0.000 0.865 317 G HN 0.505 nan 8.290 nan 0.000 0.513 318 V N 3.496 123.198 119.914 -0.352 0.000 2.307 318 V HA -0.107 4.014 4.120 0.001 0.000 0.245 318 V C 2.970 178.948 176.094 -0.193 0.000 1.045 318 V CA 2.462 64.632 62.300 -0.218 0.000 1.024 318 V CB -0.884 30.814 31.823 -0.209 0.000 0.651 318 V HN 0.795 nan 8.190 nan 0.000 0.449 319 G N -0.165 108.487 108.800 -0.246 0.000 2.422 319 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 319 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 319 G C 1.799 176.613 174.900 -0.142 0.000 1.140 319 G CA 1.345 46.336 45.100 -0.182 0.000 0.775 319 G HN 0.646 nan 8.290 nan 0.000 0.545 320 S N -1.299 114.309 115.700 -0.154 0.000 2.475 320 S HA 0.365 4.836 4.470 0.001 0.000 0.224 320 S C 1.954 176.513 174.600 -0.069 0.000 1.042 320 S CA 1.125 59.267 58.200 -0.098 0.000 0.935 320 S CB 0.062 63.213 63.200 -0.082 0.000 0.801 320 S HN 1.496 nan 8.310 nan 0.000 0.509 321 G N 1.532 110.290 108.800 -0.069 0.000 2.148 321 G HA2 -0.248 3.712 3.960 0.001 0.000 0.254 321 G HA3 -0.248 3.712 3.960 0.001 0.000 0.254 321 G C 0.089 174.989 174.900 -0.001 0.000 0.981 321 G CA 0.232 45.311 45.100 -0.034 0.000 0.670 321 G HN 0.611 nan 8.290 nan 0.000 0.528 322 R N -1.146 119.363 120.500 0.014 0.000 2.720 322 R HA 0.650 4.991 4.340 0.001 0.000 0.272 322 R C -0.061 176.324 176.300 0.141 0.000 0.991 322 R CA -0.420 55.718 56.100 0.063 0.000 1.010 322 R CB 1.323 31.649 30.300 0.044 0.000 1.141 322 R HN 0.200 nan 8.270 nan 0.000 0.494 323 c N 1.761 120.469 118.600 0.181 0.000 2.370 323 c HA 0.284 4.855 4.570 0.001 0.000 0.354 323 c C 0.035 174.268 174.090 0.238 0.000 1.218 323 c CA -0.729 55.729 56.329 0.215 0.000 2.154 323 c CB 0.542 43.168 42.510 0.193 0.000 2.391 323 c HN 0.598 nan 8.230 nan 0.000 0.540 324 L N 4.127 125.456 121.223 0.177 0.000 2.534 324 L HA 0.249 4.589 4.340 0.001 0.000 0.271 324 L C 0.030 177.085 176.870 0.308 0.000 1.178 324 L CA 1.289 56.166 54.840 0.062 0.000 0.907 324 L CB -0.232 41.575 42.059 -0.421 0.000 1.164 324 L HN 0.692 nan 8.230 nan 0.000 0.482 325 D N 3.881 124.446 120.400 0.274 0.000 2.819 325 D HA 0.248 4.888 4.640 0.001 0.000 0.232 325 D C -1.416 175.014 176.300 0.217 0.000 1.160 325 D CA -0.443 53.713 54.000 0.259 0.000 0.858 325 D CB 2.366 43.308 40.800 0.237 0.000 1.610 325 D HN 0.254 nan 8.370 nan 0.000 0.481 326 V N 4.519 124.526 119.914 0.156 0.000 2.353 326 V HA 0.260 4.380 4.120 0.001 0.000 0.264 326 V C -2.040 174.108 176.094 0.091 0.000 1.049 326 V CA -1.508 60.879 62.300 0.145 0.000 0.896 326 V CB 0.885 32.786 31.823 0.130 0.000 1.025 326 V HN 0.470 nan 8.190 nan 0.000 0.475 327 P HA -0.063 nan 4.420 nan 0.000 0.257 327 P C 0.508 177.811 177.300 0.006 0.000 1.153 327 P CA 0.724 63.834 63.100 0.017 0.000 0.762 327 P CB 0.023 31.749 31.700 0.044 0.000 0.743 328 N N 2.734 121.405 118.700 -0.048 0.000 2.693 328 N HA -0.288 4.453 4.740 0.001 0.000 0.249 328 N C 0.393 175.903 175.510 0.000 0.000 1.119 328 N CA 1.277 54.307 53.050 -0.034 0.000 0.717 328 N CB -1.717 36.757 38.487 -0.021 0.000 1.071 328 N HN 0.718 nan 8.380 nan 0.000 0.555 329 A N -1.352 121.491 122.820 0.038 0.000 2.799 329 A HA -0.269 4.051 4.320 0.001 0.000 0.287 329 A C 0.797 178.402 177.584 0.034 0.000 1.484 329 A CA 1.511 53.607 52.037 0.097 0.000 0.813 329 A CB -1.851 17.183 19.000 0.056 0.000 1.009 329 A HN 0.947 nan 8.150 nan 0.000 0.545 330 S N -0.566 115.163 115.700 0.048 0.000 2.572 330 S HA 0.473 4.944 4.470 0.001 0.000 0.279 330 S C 1.383 175.963 174.600 -0.033 0.000 1.341 330 S CA 0.838 59.034 58.200 -0.007 0.000 1.043 330 S CB 0.638 63.858 63.200 0.033 0.000 0.887 330 S HN 1.578 nan 8.310 nan 0.000 0.516 331 T N 0.335 114.802 114.554 -0.144 0.000 3.132 331 T HA 0.252 4.602 4.350 0.001 0.000 0.274 331 T C 0.204 174.881 174.700 -0.040 0.000 1.011 331 T CA -0.390 61.599 62.100 -0.184 0.000 0.899 331 T CB -0.273 68.356 68.868 -0.398 0.000 1.089 331 T HN 0.497 nan 8.240 nan 0.000 0.543 332 T N 3.634 118.186 114.554 -0.003 0.000 2.814 332 T HA 0.248 4.599 4.350 0.001 0.000 0.297 332 T C -0.241 174.497 174.700 0.064 0.000 0.956 332 T CA -0.312 61.797 62.100 0.016 0.000 1.123 332 T CB 0.506 69.386 68.868 0.020 0.000 0.902 332 T HN 0.245 nan 8.240 nan 0.000 0.528 333 D N 2.010 122.433 120.400 0.040 0.000 2.488 333 D HA 0.357 4.997 4.640 0.001 0.000 0.238 333 D C 1.404 177.823 176.300 0.198 0.000 1.138 333 D CA 1.391 55.449 54.000 0.096 0.000 0.873 333 D CB 0.442 41.187 40.800 -0.092 0.000 1.183 333 D HN 0.854 nan 8.370 nan 0.000 0.458 334 G N 1.734 110.711 108.800 0.295 0.000 2.175 334 G HA2 -0.260 3.701 3.960 0.001 0.000 0.244 334 G HA3 -0.260 3.701 3.960 0.001 0.000 0.244 334 G C 0.483 175.478 174.900 0.159 0.000 0.982 334 G CA 0.160 45.394 45.100 0.224 0.000 0.641 334 G HN 0.568 nan 8.290 nan 0.000 0.527 335 T N 1.585 116.233 114.554 0.158 0.000 2.752 335 T HA 0.425 4.775 4.350 0.001 0.000 0.295 335 T C 0.451 175.235 174.700 0.140 0.000 0.923 335 T CA 0.253 62.432 62.100 0.131 0.000 1.112 335 T CB 1.396 70.340 68.868 0.126 0.000 0.884 335 T HN 0.533 nan 8.240 nan 0.000 0.525 336 Q N 3.357 123.227 119.800 0.116 0.000 2.337 336 Q HA 0.310 4.650 4.340 0.001 0.000 0.270 336 Q C 0.214 176.281 176.000 0.111 0.000 1.002 336 Q CA -0.666 55.202 55.803 0.109 0.000 0.888 336 Q CB 0.581 29.373 28.738 0.091 0.000 1.222 336 Q HN 0.641 nan 8.270 nan 0.000 0.400 337 V N 1.564 121.540 119.914 0.103 0.000 3.083 337 V HA 0.432 4.553 4.120 0.001 0.000 0.306 337 V C -0.350 175.798 176.094 0.091 0.000 1.077 337 V CA -0.367 61.996 62.300 0.106 0.000 1.073 337 V CB 1.193 33.058 31.823 0.069 0.000 1.081 337 V HN 1.005 nan 8.190 nan 0.000 0.474 338 Q N 2.022 121.892 119.800 0.117 0.000 2.687 338 Q HA 0.689 5.029 4.340 0.001 0.000 0.305 338 Q C -1.576 174.531 176.000 0.177 0.000 1.006 338 Q CA -1.148 54.738 55.803 0.138 0.000 0.763 338 Q CB 2.243 31.074 28.738 0.155 0.000 1.506 338 Q HN 0.690 nan 8.270 nan 0.000 0.459 339 L N 1.091 122.432 121.223 0.196 0.000 2.325 339 L HA 0.652 4.993 4.340 0.001 0.000 0.279 339 L C -1.231 175.805 176.870 0.277 0.000 1.054 339 L CA -0.804 54.165 54.840 0.216 0.000 0.804 339 L CB 1.075 43.227 42.059 0.155 0.000 1.200 339 L HN 0.662 nan 8.230 nan 0.000 0.436 340 Y N 0.713 121.086 120.300 0.121 0.000 2.604 340 Y HA 0.188 4.739 4.550 0.001 0.000 0.331 340 Y C -0.761 175.216 175.900 0.129 0.000 1.158 340 Y CA -1.160 57.010 58.100 0.117 0.000 1.056 340 Y CB 1.580 40.125 38.460 0.141 0.000 1.330 340 Y HN 0.550 nan 8.280 nan 0.000 0.457 341 D N 2.678 122.885 120.400 -0.322 0.000 2.583 341 D HA -0.004 4.637 4.640 0.001 0.000 0.232 341 D C -0.236 176.225 176.300 0.270 0.000 1.128 341 D CA 0.791 54.748 54.000 -0.072 0.000 0.859 341 D CB 0.428 41.100 40.800 -0.214 0.000 1.169 341 D HN 0.472 nan 8.370 nan 0.000 0.481 342 c N 4.649 123.371 118.600 0.202 0.000 2.632 342 c HA 0.291 4.861 4.570 0.001 0.000 0.415 342 c C 0.591 174.858 174.090 0.294 0.000 1.332 342 c CA -0.267 56.200 56.329 0.230 0.000 1.874 342 c CB -0.838 41.750 42.510 0.130 0.000 2.596 342 c HN 0.704 nan 8.230 nan 0.000 0.590 343 H N -0.900 118.233 119.070 0.105 0.000 3.037 343 H HA 0.302 4.859 4.556 0.001 0.000 0.336 343 H C -1.194 174.171 175.328 0.061 0.000 1.323 343 H CA -0.701 55.395 56.048 0.081 0.000 1.159 343 H CB 0.481 30.302 29.762 0.097 0.000 1.882 343 H HN 0.405 nan 8.280 nan 0.000 0.535 344 S N 0.613 116.326 115.700 0.021 0.000 2.465 344 S HA 0.542 5.013 4.470 0.001 0.000 0.307 344 S C -0.029 174.507 174.600 -0.108 0.000 1.187 344 S CA 0.289 58.459 58.200 -0.050 0.000 1.141 344 S CB -0.872 62.339 63.200 0.018 0.000 1.108 344 S HN 0.788 nan 8.310 nan 0.000 0.525 345 A N 2.499 125.177 122.820 -0.236 0.000 2.566 345 A HA 0.613 4.934 4.320 0.001 0.000 0.297 345 A C 0.981 178.463 177.584 -0.171 0.000 1.059 345 A CA -0.566 51.356 52.037 -0.192 0.000 0.691 345 A CB 0.528 19.341 19.000 -0.312 0.000 1.282 345 A HN 0.582 nan 8.150 nan 0.000 0.401 346 T N -0.605 113.894 114.554 -0.091 0.000 2.929 346 T HA -0.143 4.207 4.350 0.001 0.000 0.271 346 T C 1.015 175.564 174.700 -0.252 0.000 1.085 346 T CA 1.616 63.649 62.100 -0.111 0.000 1.125 346 T CB -0.539 68.346 68.868 0.029 0.000 0.874 346 T HN 0.794 nan 8.240 nan 0.000 0.494 347 N N 1.087 119.690 118.700 -0.161 0.000 2.515 347 N HA -0.036 4.705 4.740 0.001 0.000 0.191 347 N C 1.084 176.386 175.510 -0.345 0.000 1.182 347 N CA 0.167 53.052 53.050 -0.274 0.000 0.879 347 N CB -0.139 38.358 38.487 0.016 0.000 0.984 347 N HN 0.591 nan 8.380 nan 0.000 0.453 348 Q N -0.657 118.943 119.800 -0.334 0.000 2.140 348 Q HA 0.185 4.526 4.340 0.001 0.000 0.227 348 Q C -0.516 175.345 176.000 -0.231 0.000 0.798 348 Q CA -0.200 55.505 55.803 -0.164 0.000 0.987 348 Q CB 0.891 29.580 28.738 -0.082 0.000 1.161 348 Q HN 0.248 nan 8.270 nan 0.000 0.480 349 Q N 0.281 119.800 119.800 -0.469 0.000 2.390 349 Q HA 0.170 4.511 4.340 0.001 0.000 0.249 349 Q C -1.240 174.438 176.000 -0.538 0.000 0.996 349 Q CA 0.241 55.840 55.803 -0.341 0.000 0.899 349 Q CB 0.412 29.002 28.738 -0.247 0.000 1.216 349 Q HN 0.124 nan 8.270 nan 0.000 0.465 350 W N 1.266 122.494 121.300 -0.119 0.000 2.551 350 W HA 0.405 5.066 4.660 0.001 0.000 0.330 350 W C 0.094 176.582 176.519 -0.051 0.000 1.063 350 W CA -0.532 56.746 57.345 -0.112 0.000 1.222 350 W CB 1.520 30.895 29.460 -0.141 0.000 1.349 350 W HN 0.170 nan 8.180 nan 0.000 0.536 351 T N 2.724 117.388 114.554 0.183 0.000 2.786 351 T HA 0.178 4.528 4.350 0.001 0.000 0.283 351 T C -1.508 173.317 174.700 0.209 0.000 0.992 351 T CA -0.499 61.689 62.100 0.147 0.000 0.954 351 T CB 0.464 69.371 68.868 0.066 0.000 0.934 351 T HN 0.168 nan 8.240 nan 0.000 0.440 352 Y N 4.227 124.566 120.300 0.065 0.000 2.365 352 Y HA 0.416 4.966 4.550 0.001 0.000 0.340 352 Y C 0.944 176.876 175.900 0.054 0.000 1.016 352 Y CA -0.813 57.323 58.100 0.059 0.000 1.196 352 Y CB 0.291 38.775 38.460 0.039 0.000 1.167 352 Y HN 0.729 nan 8.280 nan 0.000 0.509 353 T N 0.878 115.246 114.554 -0.309 0.000 2.912 353 T HA 0.184 4.535 4.350 0.001 0.000 0.280 353 T C 0.850 175.327 174.700 -0.371 0.000 0.989 353 T CA -0.682 61.272 62.100 -0.242 0.000 0.995 353 T CB 1.038 69.826 68.868 -0.132 0.000 1.077 353 T HN 0.595 nan 8.240 nan 0.000 0.531 354 D N 0.681 120.973 120.400 -0.181 0.000 2.221 354 D HA -0.049 4.592 4.640 0.001 0.000 0.204 354 D C 1.992 178.207 176.300 -0.142 0.000 0.982 354 D CA 1.334 55.255 54.000 -0.132 0.000 0.857 354 D CB -0.307 40.462 40.800 -0.053 0.000 0.934 354 D HN 0.760 nan 8.370 nan 0.000 0.475 355 A N -0.373 122.354 122.820 -0.155 0.000 2.238 355 A HA 0.368 4.689 4.320 0.001 0.000 0.208 355 A C 1.709 179.192 177.584 -0.169 0.000 1.177 355 A CA 1.071 53.034 52.037 -0.124 0.000 0.804 355 A CB -0.007 18.936 19.000 -0.095 0.000 0.823 355 A HN 0.239 nan 8.150 nan 0.000 0.482 356 G N -0.523 108.080 108.800 -0.330 0.000 2.141 356 G HA2 -0.210 3.750 3.960 0.001 0.000 0.242 356 G HA3 -0.210 3.750 3.960 0.001 0.000 0.242 356 G C -0.176 174.660 174.900 -0.106 0.000 0.982 356 G CA 0.277 45.177 45.100 -0.333 0.000 0.662 356 G HN 0.631 nan 8.290 nan 0.000 0.527 357 E N -0.715 119.413 120.200 -0.120 0.000 2.314 357 E HA 0.681 5.032 4.350 0.001 0.000 0.262 357 E C 0.182 176.913 176.600 0.217 0.000 1.093 357 E CA -0.606 55.873 56.400 0.131 0.000 0.908 357 E CB 1.288 31.030 29.700 0.070 0.000 1.091 357 E HN 0.202 nan 8.360 nan 0.000 0.425 358 L N 2.472 123.884 121.223 0.316 0.000 2.337 358 L HA 0.368 4.709 4.340 0.001 0.000 0.269 358 L C -0.163 176.926 176.870 0.364 0.000 1.018 358 L CA -0.343 54.661 54.840 0.273 0.000 0.876 358 L CB 0.624 42.657 42.059 -0.044 0.000 1.236 358 L HN 0.299 nan 8.230 nan 0.000 0.436 359 R N 1.702 122.362 120.500 0.267 0.000 2.500 359 R HA 0.681 5.022 4.340 0.001 0.000 0.277 359 R C -0.872 175.411 176.300 -0.027 0.000 1.026 359 R CA -0.572 55.621 56.100 0.154 0.000 1.058 359 R CB 2.624 32.969 30.300 0.075 0.000 1.078 359 R HN 0.257 nan 8.270 nan 0.000 0.509 360 V N 3.345 123.111 119.914 -0.246 0.000 2.888 360 V HA 0.224 4.345 4.120 0.001 0.000 0.309 360 V C -1.079 174.756 176.094 -0.433 0.000 1.114 360 V CA -0.394 61.475 62.300 -0.719 0.000 0.940 360 V CB 1.296 32.217 31.823 -1.504 0.000 1.021 360 V HN 0.921 nan 8.190 nan 0.000 0.426 361 Y N 4.045 124.210 120.300 -0.224 0.000 4.916 361 Y HA -0.228 4.323 4.550 0.001 0.000 0.247 361 Y C 1.696 177.545 175.900 -0.085 0.000 0.962 361 Y CA 1.621 59.637 58.100 -0.140 0.000 1.933 361 Y CB -1.930 36.458 38.460 -0.121 0.000 1.451 361 Y HN 1.752 nan 8.280 nan 0.000 0.539 362 G N -0.699 108.119 108.800 0.030 0.000 2.358 362 G HA2 -0.355 3.605 3.960 0.001 0.000 0.224 362 G HA3 -0.355 3.605 3.960 0.001 0.000 0.224 362 G C 0.484 175.410 174.900 0.044 0.000 1.073 362 G CA 0.641 45.758 45.100 0.030 0.000 0.635 362 G HN 0.500 nan 8.290 nan 0.000 0.509 363 D N 0.304 120.747 120.400 0.070 0.000 2.620 363 D HA 0.291 4.931 4.640 0.001 0.000 0.260 363 D C 0.223 176.582 176.300 0.097 0.000 1.367 363 D CA -0.032 54.011 54.000 0.072 0.000 0.805 363 D CB 0.154 40.986 40.800 0.053 0.000 1.096 363 D HN 0.220 nan 8.370 nan 0.000 0.488 364 K N 0.010 120.482 120.400 0.120 0.000 2.203 364 K HA 0.533 4.854 4.320 0.001 0.000 0.251 364 K C -0.784 175.920 176.600 0.174 0.000 0.944 364 K CA -0.559 55.823 56.287 0.158 0.000 0.829 364 K CB 1.863 34.495 32.500 0.220 0.000 1.125 364 K HN -0.019 nan 8.250 nan 0.000 0.430 365 c N 2.017 120.765 118.600 0.246 0.000 2.507 365 c HA 0.369 4.939 4.570 0.001 0.000 0.319 365 c C -0.180 174.131 174.090 0.369 0.000 1.208 365 c CA -0.969 55.538 56.329 0.296 0.000 1.619 365 c CB 1.059 43.730 42.510 0.267 0.000 2.230 365 c HN 0.751 nan 8.230 nan 0.000 0.492 366 L N 4.133 125.587 121.223 0.385 0.000 2.513 366 L HA 0.294 4.635 4.340 0.001 0.000 0.272 366 L C 0.014 177.170 176.870 0.478 0.000 1.187 366 L CA 1.391 56.388 54.840 0.260 0.000 0.895 366 L CB 0.008 41.926 42.059 -0.236 0.000 1.147 366 L HN 0.676 nan 8.230 nan 0.000 0.483 367 D N 4.343 124.986 120.400 0.404 0.000 2.787 367 D HA 0.498 5.139 4.640 0.001 0.000 0.246 367 D C -1.389 175.095 176.300 0.307 0.000 1.150 367 D CA -0.481 53.741 54.000 0.371 0.000 0.864 367 D CB 2.149 43.134 40.800 0.309 0.000 1.481 367 D HN 0.698 nan 8.370 nan 0.000 0.509 368 A N 2.382 125.342 122.820 0.233 0.000 2.260 368 A HA 0.582 4.903 4.320 0.001 0.000 0.308 368 A C 0.862 178.480 177.584 0.057 0.000 1.254 368 A CA -0.002 52.129 52.037 0.157 0.000 0.874 368 A CB 1.065 20.111 19.000 0.075 0.000 1.153 368 A HN 0.601 nan 8.150 nan 0.000 0.527 369 A N 2.351 125.201 122.820 0.050 0.000 2.209 369 A HA 0.455 4.775 4.320 0.001 0.000 0.212 369 A C 1.161 178.744 177.584 -0.002 0.000 1.158 369 A CA 1.512 53.550 52.037 0.002 0.000 0.742 369 A CB -0.367 18.642 19.000 0.016 0.000 0.790 369 A HN 1.796 nan 8.150 nan 0.000 0.472 370 G N -2.627 106.178 108.800 0.009 0.000 2.578 370 G HA2 0.384 4.344 3.960 0.001 0.000 0.302 370 G HA3 0.384 4.344 3.960 0.001 0.000 0.302 370 G C 0.260 175.156 174.900 -0.008 0.000 1.243 370 G CA 0.717 45.816 45.100 -0.001 0.000 0.843 370 G HN 0.490 nan 8.290 nan 0.000 0.486 371 T N -2.669 111.877 114.554 -0.014 0.000 2.975 371 T HA 0.486 4.836 4.350 0.001 0.000 0.261 371 T C 1.060 175.741 174.700 -0.031 0.000 0.984 371 T CA 1.090 63.173 62.100 -0.027 0.000 0.911 371 T CB 0.652 69.500 68.868 -0.033 0.000 1.127 371 T HN 1.157 nan 8.240 nan 0.000 0.514 372 G N 1.208 109.991 108.800 -0.028 0.000 2.531 372 G HA2 0.513 4.473 3.960 0.001 0.000 0.313 372 G HA3 0.513 4.473 3.960 0.001 0.000 0.313 372 G C -0.568 174.294 174.900 -0.064 0.000 1.238 372 G CA -0.873 44.196 45.100 -0.052 0.000 0.994 372 G HN 0.202 nan 8.290 nan 0.000 0.493 373 N N -0.252 118.362 118.700 -0.142 0.000 2.412 373 N HA 0.263 5.004 4.740 0.001 0.000 0.254 373 N C 1.282 176.780 175.510 -0.021 0.000 1.232 373 N CA 1.485 54.403 53.050 -0.220 0.000 0.880 373 N CB 1.144 39.319 38.487 -0.520 0.000 1.076 373 N HN 1.137 nan 8.380 nan 0.000 0.458 374 G N 0.914 109.779 108.800 0.108 0.000 2.195 374 G HA2 -0.287 3.673 3.960 0.001 0.000 0.246 374 G HA3 -0.287 3.673 3.960 0.001 0.000 0.246 374 G C 0.264 175.222 174.900 0.096 0.000 0.984 374 G CA 0.331 45.513 45.100 0.136 0.000 0.633 374 G HN 0.623 nan 8.290 nan 0.000 0.525 375 T N 1.629 116.228 114.554 0.076 0.000 2.934 375 T HA 0.314 4.664 4.350 0.001 0.000 0.306 375 T C 0.687 175.441 174.700 0.090 0.000 1.042 375 T CA 0.810 62.951 62.100 0.069 0.000 1.145 375 T CB 1.029 69.931 68.868 0.057 0.000 0.982 375 T HN 0.546 nan 8.240 nan 0.000 0.544 376 K N 3.162 123.609 120.400 0.079 0.000 2.368 376 K HA 0.242 4.563 4.320 0.001 0.000 0.282 376 K C -0.863 175.798 176.600 0.101 0.000 1.035 376 K CA -0.424 55.914 56.287 0.085 0.000 0.973 376 K CB 0.394 32.938 32.500 0.074 0.000 0.957 376 K HN 0.297 nan 8.250 nan 0.000 0.474 377 V N 5.983 125.957 119.914 0.100 0.000 2.398 377 V HA 0.216 4.337 4.120 0.001 0.000 0.286 377 V C 0.041 176.191 176.094 0.093 0.000 1.026 377 V CA -0.380 61.984 62.300 0.106 0.000 0.868 377 V CB 1.048 32.895 31.823 0.039 0.000 0.982 377 V HN 0.983 nan 8.190 nan 0.000 0.443 378 Q N 5.527 125.409 119.800 0.137 0.000 2.943 378 Q HA 0.697 5.037 4.340 0.001 0.000 0.328 378 Q C -1.050 175.089 176.000 0.232 0.000 0.934 378 Q CA -0.989 54.914 55.803 0.166 0.000 0.782 378 Q CB 2.616 31.456 28.738 0.170 0.000 1.470 378 Q HN 0.654 nan 8.270 nan 0.000 0.503 379 I N -1.797 118.934 120.570 0.268 0.000 2.525 379 I HA 0.761 4.931 4.170 0.001 0.000 0.301 379 I C -1.383 174.958 176.117 0.373 0.000 0.992 379 I CA -0.977 60.512 61.300 0.315 0.000 1.162 379 I CB 1.514 39.685 38.000 0.285 0.000 1.332 379 I HN 0.690 nan 8.210 nan 0.000 0.458 380 Y N 2.331 122.753 120.300 0.203 0.000 2.592 380 Y HA 0.383 4.933 4.550 0.001 0.000 0.334 380 Y C -0.411 175.611 175.900 0.203 0.000 1.136 380 Y CA -0.713 57.501 58.100 0.189 0.000 1.042 380 Y CB 2.183 40.770 38.460 0.211 0.000 1.325 380 Y HN 0.768 nan 8.280 nan 0.000 0.457 381 S N 2.334 117.918 115.700 -0.194 0.000 2.563 381 S HA 0.047 4.518 4.470 0.001 0.000 0.294 381 S C -0.402 174.348 174.600 0.249 0.000 1.279 381 S CA -0.132 58.054 58.200 -0.024 0.000 1.069 381 S CB -0.351 62.748 63.200 -0.169 0.000 0.828 381 S HN 0.615 nan 8.310 nan 0.000 0.497 382 c N 5.441 124.173 118.600 0.220 0.000 2.632 382 c HA 0.218 4.789 4.570 0.001 0.000 0.415 382 c C 1.463 175.739 174.090 0.309 0.000 1.332 382 c CA -0.485 55.986 56.329 0.237 0.000 1.874 382 c CB -1.012 41.580 42.510 0.136 0.000 2.596 382 c HN 1.089 nan 8.230 nan 0.000 0.590 383 W N 1.193 122.556 121.300 0.105 0.000 1.807 383 W HA 0.377 5.037 4.660 0.001 0.000 0.251 383 W C 0.670 177.226 176.519 0.061 0.000 0.848 383 W CA 0.190 57.584 57.345 0.081 0.000 1.157 383 W CB -0.738 28.785 29.460 0.103 0.000 0.992 383 W HN 0.922 nan 8.180 nan 0.000 0.506 384 G N 1.370 109.868 108.800 -0.503 0.000 2.176 384 G HA2 -0.152 3.808 3.960 0.001 0.000 0.232 384 G HA3 -0.152 3.808 3.960 0.001 0.000 0.232 384 G C 0.614 174.968 174.900 -0.909 0.000 0.986 384 G CA -0.165 44.615 45.100 -0.533 0.000 0.643 384 G HN 0.657 nan 8.290 nan 0.000 0.522 385 G N -0.237 107.492 108.800 -1.785 0.000 2.544 385 G HA2 0.416 4.376 3.960 0.001 0.000 0.242 385 G HA3 0.416 4.376 3.960 0.001 0.000 0.242 385 G C 0.562 175.099 174.900 -0.605 0.000 1.247 385 G CA 0.443 44.711 45.100 -1.387 0.000 0.840 385 G HN 0.059 nan 8.290 nan 0.000 0.578 386 D N 0.070 120.245 120.400 -0.374 0.000 2.350 386 D HA -0.117 4.523 4.640 0.001 0.000 0.216 386 D C 2.055 178.146 176.300 -0.348 0.000 0.968 386 D CA 0.702 54.523 54.000 -0.299 0.000 0.894 386 D CB 0.175 40.855 40.800 -0.200 0.000 0.909 386 D HN 0.585 nan 8.370 nan 0.000 0.520 387 N N 0.165 118.695 118.700 -0.284 0.000 2.461 387 N HA -0.094 4.647 4.740 0.001 0.000 0.188 387 N C 0.690 176.006 175.510 -0.324 0.000 1.134 387 N CA 0.240 53.120 53.050 -0.284 0.000 0.878 387 N CB 0.077 38.506 38.487 -0.097 0.000 0.972 387 N HN 0.257 nan 8.380 nan 0.000 0.456 388 Q N -0.202 119.395 119.800 -0.340 0.000 2.139 388 Q HA 0.254 4.594 4.340 0.001 0.000 0.219 388 Q C -0.514 175.320 176.000 -0.277 0.000 0.805 388 Q CA -0.066 55.645 55.803 -0.154 0.000 1.024 388 Q CB 0.983 29.674 28.738 -0.079 0.000 1.163 388 Q HN 0.268 nan 8.270 nan 0.000 0.485 389 K N 0.355 120.386 120.400 -0.613 0.000 2.207 389 K HA 0.494 4.814 4.320 0.001 0.000 0.255 389 K C -1.360 174.780 176.600 -0.767 0.000 0.941 389 K CA -0.375 55.640 56.287 -0.454 0.000 0.825 389 K CB 1.358 33.685 32.500 -0.289 0.000 1.119 389 K HN -0.097 nan 8.250 nan 0.000 0.430 390 W N 0.997 122.329 121.300 0.054 0.000 3.033 390 W HA 0.452 5.113 4.660 0.001 0.000 0.336 390 W C -0.399 176.197 176.519 0.128 0.000 1.173 390 W CA -0.849 56.534 57.345 0.063 0.000 1.185 390 W CB 1.212 30.693 29.460 0.034 0.000 1.425 390 W HN 0.183 nan 8.180 nan 0.000 0.536 391 R N 2.226 122.881 120.500 0.258 0.000 2.387 391 R HA 0.523 4.864 4.340 0.001 0.000 0.314 391 R C -0.866 175.470 176.300 0.060 0.000 0.958 391 R CA -0.972 55.218 56.100 0.150 0.000 0.846 391 R CB 1.301 31.649 30.300 0.081 0.000 1.147 391 R HN 0.421 nan 8.270 nan 0.000 0.447 392 L N 4.073 125.257 121.223 -0.064 0.000 2.328 392 L HA 0.246 4.587 4.340 0.001 0.000 0.280 392 L C 0.008 176.841 176.870 -0.062 0.000 1.111 392 L CA -0.673 54.080 54.840 -0.145 0.000 0.909 392 L CB -0.044 41.797 42.059 -0.363 0.000 1.277 392 L HN 0.412 nan 8.230 nan 0.000 0.433 393 N N 0.842 119.536 118.700 -0.011 0.000 2.482 393 N HA -0.003 4.738 4.740 0.001 0.000 0.260 393 N C 1.281 176.787 175.510 -0.006 0.000 1.236 393 N CA 0.099 53.151 53.050 0.004 0.000 0.938 393 N CB 1.431 39.934 38.487 0.026 0.000 1.128 393 N HN 0.546 nan 8.380 nan 0.000 0.448 394 S N -0.121 115.574 115.700 -0.008 0.000 2.442 394 S HA -0.183 4.287 4.470 0.001 0.000 0.236 394 S C 0.893 175.489 174.600 -0.007 0.000 1.007 394 S CA 1.092 59.285 58.200 -0.012 0.000 0.965 394 S CB -0.187 63.004 63.200 -0.015 0.000 0.773 394 S HN 0.707 nan 8.310 nan 0.000 0.504 395 D N 0.430 120.830 120.400 0.000 0.000 2.336 395 D HA 0.249 4.889 4.640 0.001 0.000 0.229 395 D C 1.404 177.705 176.300 0.002 0.000 1.061 395 D CA 0.614 54.613 54.000 -0.002 0.000 0.875 395 D CB -0.575 40.225 40.800 -0.000 0.000 0.904 395 D HN 0.581 nan 8.370 nan 0.000 0.525 396 G N 0.060 108.869 108.800 0.016 0.000 2.213 396 G HA2 -0.275 3.686 3.960 0.001 0.000 0.236 396 G HA3 -0.275 3.686 3.960 0.001 0.000 0.236 396 G C 0.410 175.381 174.900 0.119 0.000 0.991 396 G CA 0.306 45.431 45.100 0.042 0.000 0.629 396 G HN 0.808 nan 8.290 nan 0.000 0.517 397 S N -0.072 115.688 115.700 0.101 0.000 2.601 397 S HA 0.739 5.210 4.470 0.001 0.000 0.271 397 S C 0.046 174.734 174.600 0.147 0.000 1.305 397 S CA -0.469 57.832 58.200 0.168 0.000 1.022 397 S CB 1.852 65.118 63.200 0.109 0.000 0.940 397 S HN 0.634 nan 8.310 nan 0.000 0.525 398 I N 2.079 122.746 120.570 0.162 0.000 2.411 398 I HA 0.327 4.497 4.170 0.001 0.000 0.284 398 I C -1.062 175.161 176.117 0.176 0.000 1.012 398 I CA -0.874 60.459 61.300 0.056 0.000 1.119 398 I CB 1.795 39.665 38.000 -0.217 0.000 1.261 398 I HN 0.409 nan 8.210 nan 0.000 0.448 399 V N 4.808 124.846 119.914 0.207 0.000 2.472 399 V HA 0.508 4.629 4.120 0.001 0.000 0.290 399 V C 0.809 177.042 176.094 0.232 0.000 1.037 399 V CA -0.662 61.764 62.300 0.210 0.000 0.908 399 V CB 1.645 33.525 31.823 0.095 0.000 0.985 399 V HN 0.844 nan 8.190 nan 0.000 0.454 400 G N 2.589 111.460 108.800 0.118 0.000 2.380 400 G HA2 0.371 4.332 3.960 0.001 0.000 0.262 400 G HA3 0.371 4.332 3.960 0.001 0.000 0.262 400 G C 0.903 175.632 174.900 -0.286 0.000 1.243 400 G CA -0.283 44.593 45.100 -0.374 0.000 0.865 400 G HN 0.548 nan 8.290 nan 0.000 0.513 401 V N 2.059 121.752 119.914 -0.368 0.000 2.295 401 V HA -0.257 3.864 4.120 0.001 0.000 0.246 401 V C 2.869 178.842 176.094 -0.202 0.000 1.049 401 V CA 2.418 64.576 62.300 -0.237 0.000 1.024 401 V CB -0.619 31.063 31.823 -0.235 0.000 0.648 401 V HN 0.873 nan 8.190 nan 0.000 0.447 402 Q N 0.153 119.806 119.800 -0.244 0.000 2.079 402 Q HA -0.193 4.148 4.340 0.001 0.000 0.200 402 Q C 2.387 178.312 176.000 -0.125 0.000 0.974 402 Q CA 2.228 57.932 55.803 -0.166 0.000 0.840 402 Q CB -0.089 28.547 28.738 -0.169 0.000 0.898 402 Q HN 0.774 nan 8.270 nan 0.000 0.430 403 S N -1.801 113.814 115.700 -0.142 0.000 2.439 403 S HA 0.135 4.605 4.470 0.001 0.000 0.224 403 S C 1.499 176.059 174.600 -0.067 0.000 1.029 403 S CA 0.745 58.892 58.200 -0.089 0.000 0.946 403 S CB 0.227 63.382 63.200 -0.075 0.000 0.797 403 S HN 0.670 nan 8.310 nan 0.000 0.504 404 G N 1.032 109.788 108.800 -0.072 0.000 2.148 404 G HA2 -0.217 3.744 3.960 0.001 0.000 0.254 404 G HA3 -0.217 3.744 3.960 0.001 0.000 0.254 404 G C -0.060 174.834 174.900 -0.010 0.000 0.981 404 G CA 0.605 45.678 45.100 -0.044 0.000 0.670 404 G HN 0.557 nan 8.290 nan 0.000 0.528 405 L N -0.523 120.705 121.223 0.008 0.000 2.352 405 L HA 0.603 4.943 4.340 0.001 0.000 0.269 405 L C 0.847 177.795 176.870 0.130 0.000 1.034 405 L CA -1.174 53.697 54.840 0.052 0.000 0.806 405 L CB 1.595 43.675 42.059 0.035 0.000 1.244 405 L HN 0.163 nan 8.230 nan 0.000 0.447 406 c N 1.659 120.354 118.600 0.159 0.000 2.405 406 c HA 0.376 4.946 4.570 0.001 0.000 0.365 406 c C 0.564 174.795 174.090 0.235 0.000 1.233 406 c CA -0.764 55.687 56.329 0.203 0.000 2.230 406 c CB 0.696 43.317 42.510 0.184 0.000 2.443 406 c HN 0.516 nan 8.230 nan 0.000 0.556 407 L N 3.634 124.987 121.223 0.217 0.000 2.499 407 L HA 0.185 4.526 4.340 0.001 0.000 0.273 407 L C 0.231 177.296 176.870 0.325 0.000 1.195 407 L CA 1.016 55.938 54.840 0.136 0.000 0.882 407 L CB 0.106 42.039 42.059 -0.209 0.000 1.133 407 L HN 0.694 nan 8.230 nan 0.000 0.483 408 D N 3.226 123.789 120.400 0.271 0.000 2.936 408 D HA 0.346 4.986 4.640 0.001 0.000 0.238 408 D C -0.924 175.490 176.300 0.190 0.000 1.248 408 D CA -0.497 53.642 54.000 0.232 0.000 0.903 408 D CB 2.200 43.111 40.800 0.186 0.000 1.544 408 D HN 0.503 nan 8.370 nan 0.000 0.543 409 A N 3.724 126.631 122.820 0.144 0.000 2.395 409 A HA 0.366 4.687 4.320 0.001 0.000 0.286 409 A C 0.543 178.143 177.584 0.027 0.000 1.193 409 A CA -0.433 51.663 52.037 0.099 0.000 0.852 409 A CB 0.168 19.187 19.000 0.032 0.000 1.118 409 A HN 0.452 nan 8.150 nan 0.000 0.524 410 V N 3.151 123.090 119.914 0.042 0.000 2.644 410 V HA 0.147 4.267 4.120 0.001 0.000 0.303 410 V C 1.762 177.841 176.094 -0.024 0.000 1.058 410 V CA 1.907 64.214 62.300 0.012 0.000 1.228 410 V CB -0.467 31.379 31.823 0.039 0.000 0.861 410 V HN 1.898 nan 8.190 nan 0.000 0.484 411 G N 3.918 112.678 108.800 -0.067 0.000 2.180 411 G HA2 -0.072 3.888 3.960 0.001 0.000 0.263 411 G HA3 -0.072 3.888 3.960 0.001 0.000 0.263 411 G C 1.170 176.023 174.900 -0.078 0.000 0.989 411 G CA 0.718 45.773 45.100 -0.075 0.000 0.692 411 G HN 2.480 nan 8.290 nan 0.000 0.526 412 G N -1.598 107.151 108.800 -0.086 0.000 2.148 412 G HA2 0.181 4.142 3.960 0.001 0.000 0.254 412 G HA3 0.181 4.142 3.960 0.001 0.000 0.254 412 G C 1.362 176.222 174.900 -0.066 0.000 0.981 412 G CA 0.901 45.949 45.100 -0.087 0.000 0.670 412 G HN 2.142 nan 8.290 nan 0.000 0.528 413 G N -0.680 108.095 108.800 -0.043 0.000 2.484 413 G HA2 0.506 4.467 3.960 0.001 0.000 0.235 413 G HA3 0.506 4.467 3.960 0.001 0.000 0.235 413 G C 1.058 175.938 174.900 -0.033 0.000 1.282 413 G CA 1.131 46.214 45.100 -0.028 0.000 0.857 413 G HN 1.369 nan 8.290 nan 0.000 0.571 414 T N -1.925 112.609 114.554 -0.033 0.000 2.986 414 T HA 0.561 4.911 4.350 0.001 0.000 0.264 414 T C 1.028 175.710 174.700 -0.030 0.000 0.964 414 T CA 0.648 62.724 62.100 -0.041 0.000 0.895 414 T CB 0.244 69.078 68.868 -0.056 0.000 1.163 414 T HN 0.913 nan 8.240 nan 0.000 0.517 415 A N 2.171 124.978 122.820 -0.022 0.000 2.313 415 A HA 0.558 4.878 4.320 0.001 0.000 0.261 415 A C 0.276 177.852 177.584 -0.013 0.000 1.090 415 A CA -0.668 51.352 52.037 -0.028 0.000 0.807 415 A CB 0.017 19.006 19.000 -0.020 0.000 1.055 415 A HN 0.398 nan 8.150 nan 0.000 0.492 416 N N -0.070 118.597 118.700 -0.056 0.000 2.412 416 N HA 0.266 5.007 4.740 0.001 0.000 0.254 416 N C 1.170 176.745 175.510 0.107 0.000 1.232 416 N CA 1.766 54.799 53.050 -0.028 0.000 0.880 416 N CB 0.799 39.154 38.487 -0.221 0.000 1.076 416 N HN 1.283 nan 8.380 nan 0.000 0.458 417 G N 0.839 109.761 108.800 0.204 0.000 2.213 417 G HA2 -0.278 3.683 3.960 0.001 0.000 0.236 417 G HA3 -0.278 3.683 3.960 0.001 0.000 0.236 417 G C 0.180 175.148 174.900 0.114 0.000 0.991 417 G CA 0.236 45.433 45.100 0.163 0.000 0.629 417 G HN 0.612 nan 8.290 nan 0.000 0.517 418 T N 2.679 117.292 114.554 0.099 0.000 2.829 418 T HA 0.443 4.793 4.350 0.001 0.000 0.293 418 T C 1.058 175.816 174.700 0.096 0.000 0.970 418 T CA 0.187 62.334 62.100 0.078 0.000 1.168 418 T CB 0.703 69.606 68.868 0.060 0.000 0.911 418 T HN 0.372 nan 8.240 nan 0.000 0.535 419 L N 3.724 124.997 121.223 0.083 0.000 2.453 419 L HA 0.406 4.747 4.340 0.001 0.000 0.261 419 L C 0.333 177.258 176.870 0.091 0.000 1.179 419 L CA -0.909 53.983 54.840 0.086 0.000 0.813 419 L CB 0.349 42.454 42.059 0.076 0.000 1.110 419 L HN 0.389 nan 8.230 nan 0.000 0.466 420 I N 1.459 122.078 120.570 0.082 0.000 2.412 420 I HA 0.351 4.522 4.170 0.001 0.000 0.296 420 I C -0.015 176.148 176.117 0.077 0.000 0.987 420 I CA -0.256 61.090 61.300 0.077 0.000 1.180 420 I CB 1.436 39.438 38.000 0.003 0.000 1.340 420 I HN 0.737 nan 8.210 nan 0.000 0.455 421 Q N 5.656 125.520 119.800 0.105 0.000 2.683 421 Q HA 0.726 5.067 4.340 0.001 0.000 0.302 421 Q C -1.801 174.297 176.000 0.164 0.000 1.042 421 Q CA -0.991 54.889 55.803 0.129 0.000 0.773 421 Q CB 2.479 31.304 28.738 0.146 0.000 1.508 421 Q HN 0.456 nan 8.270 nan 0.000 0.459 422 L N 1.016 122.346 121.223 0.177 0.000 2.343 422 L HA 0.651 4.992 4.340 0.001 0.000 0.275 422 L C -1.295 175.710 176.870 0.226 0.000 1.056 422 L CA -0.868 54.086 54.840 0.190 0.000 0.804 422 L CB 1.173 43.316 42.059 0.140 0.000 1.203 422 L HN 0.677 nan 8.230 nan 0.000 0.440 423 Y N 0.086 120.435 120.300 0.082 0.000 2.565 423 Y HA 0.164 4.714 4.550 0.001 0.000 0.330 423 Y C -0.108 175.824 175.900 0.053 0.000 1.150 423 Y CA -0.807 57.328 58.100 0.059 0.000 1.055 423 Y CB 1.828 40.320 38.460 0.054 0.000 1.337 423 Y HN 0.535 nan 8.280 nan 0.000 0.457 424 S N 2.630 118.265 115.700 -0.109 0.000 2.702 424 S HA -0.023 4.447 4.470 0.001 0.000 0.314 424 S C -0.226 174.488 174.600 0.190 0.000 1.244 424 S CA 0.031 58.246 58.200 0.026 0.000 1.058 424 S CB -0.478 62.697 63.200 -0.041 0.000 0.783 424 S HN 0.621 nan 8.310 nan 0.000 0.503 425 c N 3.807 122.477 118.600 0.116 0.000 2.611 425 c HA 0.241 4.812 4.570 0.001 0.000 0.416 425 c C 1.839 175.986 174.090 0.095 0.000 1.366 425 c CA -0.017 56.378 56.329 0.110 0.000 1.761 425 c CB -0.493 42.062 42.510 0.075 0.000 2.619 425 c HN 1.035 nan 8.230 nan 0.000 0.606 426 S N 0.716 116.464 115.700 0.079 0.000 2.787 426 S HA 0.102 4.572 4.470 0.001 0.000 0.255 426 S C 0.488 175.097 174.600 0.015 0.000 1.051 426 S CA -0.022 58.208 58.200 0.049 0.000 1.124 426 S CB -0.181 63.049 63.200 0.049 0.000 1.104 426 S HN 0.836 nan 8.310 nan 0.000 0.623 427 N N 1.141 119.847 118.700 0.010 0.000 2.828 427 N HA -0.111 4.630 4.740 0.001 0.000 0.248 427 N C 0.483 175.969 175.510 -0.040 0.000 1.044 427 N CA 1.007 54.049 53.050 -0.012 0.000 0.851 427 N CB -1.709 36.772 38.487 -0.010 0.000 1.136 427 N HN 0.742 nan 8.380 nan 0.000 0.572 428 G N 0.256 109.028 108.800 -0.046 0.000 2.569 428 G HA2 0.301 4.262 3.960 0.001 0.000 0.249 428 G HA3 0.301 4.262 3.960 0.001 0.000 0.249 428 G C 1.064 175.887 174.900 -0.127 0.000 1.216 428 G CA 0.402 45.455 45.100 -0.079 0.000 0.845 428 G HN 0.277 nan 8.290 nan 0.000 0.568 429 S N 0.312 115.925 115.700 -0.144 0.000 2.442 429 S HA -0.164 4.306 4.470 0.001 0.000 0.236 429 S C 1.665 176.085 174.600 -0.300 0.000 1.007 429 S CA 1.164 59.245 58.200 -0.199 0.000 0.965 429 S CB -0.226 62.878 63.200 -0.160 0.000 0.773 429 S HN 0.739 nan 8.310 nan 0.000 0.504 430 N N 0.877 119.423 118.700 -0.257 0.000 2.383 430 N HA 0.032 4.773 4.740 0.001 0.000 0.192 430 N C 0.830 176.144 175.510 -0.327 0.000 1.141 430 N CA 0.073 52.941 53.050 -0.304 0.000 0.851 430 N CB -0.212 38.169 38.487 -0.177 0.000 0.976 430 N HN 0.608 nan 8.380 nan 0.000 0.465 431 Q N -0.455 119.157 119.800 -0.314 0.000 2.140 431 Q HA 0.274 4.615 4.340 0.001 0.000 0.227 431 Q C -0.371 175.460 176.000 -0.280 0.000 0.798 431 Q CA -0.239 55.482 55.803 -0.137 0.000 0.987 431 Q CB 1.263 30.011 28.738 0.016 0.000 1.161 431 Q HN 0.181 nan 8.270 nan 0.000 0.480 432 R N 0.027 120.170 120.500 -0.595 0.000 2.460 432 R HA 0.427 4.767 4.340 0.001 0.000 0.303 432 R C -1.594 174.229 176.300 -0.795 0.000 0.968 432 R CA -0.105 55.719 56.100 -0.460 0.000 0.889 432 R CB 0.988 31.133 30.300 -0.258 0.000 1.123 432 R HN -0.063 nan 8.270 nan 0.000 0.455 433 W N 0.674 121.926 121.300 -0.079 0.000 3.032 433 W HA 0.409 5.070 4.660 0.001 0.000 0.335 433 W C -0.480 175.990 176.519 -0.080 0.000 1.154 433 W CA -0.730 56.560 57.345 -0.090 0.000 1.204 433 W CB 1.799 31.179 29.460 -0.133 0.000 1.416 433 W HN 0.450 nan 8.180 nan 0.000 0.521 434 T N -0.726 113.916 114.554 0.146 0.000 2.841 434 T HA 0.710 5.061 4.350 0.001 0.000 0.283 434 T C -0.617 174.123 174.700 0.067 0.000 1.000 434 T CA -1.215 60.926 62.100 0.069 0.000 0.977 434 T CB 1.532 70.418 68.868 0.029 0.000 0.979 434 T HN 0.455 nan 8.240 nan 0.000 0.446 435 R N 2.194 122.714 120.500 0.033 0.000 2.275 435 R HA 0.681 5.021 4.340 0.001 0.000 0.326 435 R C -0.552 175.762 176.300 0.022 0.000 0.973 435 R CA -0.560 55.553 56.100 0.023 0.000 0.854 435 R CB 1.577 31.872 30.300 -0.007 0.000 1.156 435 R HN 0.819 nan 8.270 nan 0.000 0.487 436 T N 0.000 114.572 114.554 0.031 0.000 3.816 436 T HA 0.000 4.351 4.350 0.001 0.000 0.228 436 T CA 0.000 62.115 62.100 0.025 0.000 1.349 436 T CB 0.000 68.880 68.868 0.020 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658