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 2wni_1_C DATA FIRST_RESID 12 DATA SEQUENCE RDWQLEKVVE LSRAGIRPPT AGNREAIEAA TGRPWTEWTT HDGELTGHGY DATA SEQUENCE AAVVNKGREE GQHYRQLGLL QAGcPTAESI YVRASPLQRT RATAQALVDG DATA SEQUENCE AFPGcGVAIH YANGDADPLF QTDKFAATQT DPARQLAAVK EKAGDLAQRR DATA SEQUENCE QALAPTIQLL KQAVcQADKP cPIFDTPWRV EQSKSGKTTI SGLSVMANMV DATA SEQUENCE ETLRLGWSEN LPLSQLAWGK IAQASQITAL LPLLTENYDL SNDVLYTAQK DATA SEQUENCE RGSVLLNAML DGVKPEASPN VRWLLLVAHD TNIAMVRTLM NFSWQLPGYS DATA SEQUENCE RGNIPPGSSL VLERWRDAKS GERYLRVYFQ AQGLDDLRRL QTPDAQHPML DATA SEQUENCE RQEWRQPGcR QTDVGTLcPF QAAITALGQR IDRPSAPAVA MVLPK 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 12 R HA 0.000 nan 4.340 nan 0.000 0.208 12 R C 0.000 176.098 176.300 -0.337 0.000 0.893 12 R CA 0.000 55.946 56.100 -0.256 0.000 0.921 12 R CB 0.000 30.179 30.300 -0.201 0.000 0.687 13 D N -0.126 119.859 120.400 -0.692 0.000 2.891 13 D HA 0.536 5.175 4.640 -0.000 0.000 0.224 13 D C -1.531 174.366 176.300 -0.671 0.000 1.321 13 D CA -0.265 53.433 54.000 -0.503 0.000 0.929 13 D CB 0.930 41.596 40.800 -0.222 0.000 1.551 13 D HN 0.257 nan 8.370 nan 0.000 0.574 14 W N 2.141 123.492 121.300 0.085 0.000 2.689 14 W HA 0.601 5.261 4.660 -0.001 0.000 0.340 14 W C -0.448 176.277 176.519 0.343 0.000 1.060 14 W CA -0.902 56.562 57.345 0.199 0.000 1.218 14 W CB 1.706 31.222 29.460 0.093 0.000 1.410 14 W HN 0.169 nan 8.180 nan 0.000 0.528 15 Q N 2.433 122.631 119.800 0.662 0.000 2.310 15 Q HA 0.468 4.808 4.340 -0.000 0.000 0.270 15 Q C -1.623 174.508 176.000 0.217 0.000 1.025 15 Q CA -0.920 55.109 55.803 0.376 0.000 0.772 15 Q CB 1.751 30.601 28.738 0.186 0.000 1.253 15 Q HN 0.560 nan 8.270 nan 0.000 0.450 16 L N 3.720 124.791 121.223 -0.253 0.000 2.319 16 L HA 0.324 4.664 4.340 -0.000 0.000 0.280 16 L C 0.390 177.023 176.870 -0.394 0.000 1.099 16 L CA 0.936 55.268 54.840 -0.847 0.000 0.828 16 L CB 0.714 41.953 42.059 -1.367 0.000 1.150 16 L HN 0.875 nan 8.230 nan 0.000 0.442 17 E N 2.660 122.668 120.200 -0.319 0.000 2.206 17 E HA 0.084 4.434 4.350 -0.000 0.000 0.195 17 E C -0.265 176.228 176.600 -0.178 0.000 0.935 17 E CA 0.191 56.487 56.400 -0.173 0.000 0.875 17 E CB 0.518 30.163 29.700 -0.091 0.000 0.841 17 E HN 0.398 nan 8.360 nan 0.000 0.477 18 K N 0.495 120.771 120.400 -0.206 0.000 2.543 18 K HA 0.290 4.610 4.320 -0.000 0.000 0.255 18 K C -1.844 174.647 176.600 -0.181 0.000 0.934 18 K CA -0.452 55.749 56.287 -0.143 0.000 0.810 18 K CB 2.059 34.527 32.500 -0.053 0.000 1.315 18 K HN -0.160 nan 8.250 nan 0.000 0.433 19 V N 3.927 123.725 119.914 -0.193 0.000 2.459 19 V HA 0.624 4.744 4.120 -0.000 0.000 0.295 19 V C -0.809 175.314 176.094 0.048 0.000 1.029 19 V CA -0.837 61.346 62.300 -0.194 0.000 0.874 19 V CB 1.804 33.267 31.823 -0.599 0.000 0.985 19 V HN 0.568 nan 8.190 nan 0.000 0.438 20 V N 4.451 124.403 119.914 0.064 0.000 2.540 20 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 20 V C -0.387 175.786 176.094 0.131 0.000 1.035 20 V CA -0.515 61.867 62.300 0.137 0.000 0.873 20 V CB 1.833 33.709 31.823 0.088 0.000 0.992 20 V HN 0.993 nan 8.190 nan 0.000 0.428 21 E N 4.103 124.430 120.200 0.211 0.000 2.292 21 E HA 0.657 5.007 4.350 -0.000 0.000 0.272 21 E C -2.019 174.683 176.600 0.170 0.000 0.881 21 E CA -0.815 55.701 56.400 0.193 0.000 0.754 21 E CB 2.303 32.205 29.700 0.337 0.000 1.201 21 E HN 0.551 nan 8.360 nan 0.000 0.425 22 L N 3.612 124.916 121.223 0.135 0.000 2.343 22 L HA 0.544 4.883 4.340 -0.000 0.000 0.278 22 L C -1.280 175.653 176.870 0.105 0.000 0.996 22 L CA -0.157 54.761 54.840 0.130 0.000 0.831 22 L CB 1.715 43.867 42.059 0.156 0.000 1.232 22 L HN 0.457 nan 8.230 nan 0.000 0.413 23 S N 4.940 120.672 115.700 0.054 0.000 2.509 23 S HA 0.625 5.095 4.470 -0.000 0.000 0.297 23 S C -0.250 174.339 174.600 -0.019 0.000 1.118 23 S CA -0.767 57.447 58.200 0.024 0.000 1.074 23 S CB 1.024 64.227 63.200 0.006 0.000 1.038 23 S HN 0.821 nan 8.310 nan 0.000 0.498 24 R N 2.312 122.819 120.500 0.013 0.000 2.531 24 R HA 0.611 4.951 4.340 -0.000 0.000 0.273 24 R C 0.392 176.664 176.300 -0.046 0.000 1.070 24 R CA -0.258 55.838 56.100 -0.005 0.000 1.112 24 R CB 0.491 30.833 30.300 0.070 0.000 1.049 24 R HN 0.797 nan 8.270 nan 0.000 0.508 25 A N 1.835 124.612 122.820 -0.072 0.000 2.536 25 A HA 0.256 4.576 4.320 -0.000 0.000 0.234 25 A C 0.556 178.137 177.584 -0.005 0.000 1.076 25 A CA 0.452 52.455 52.037 -0.057 0.000 0.769 25 A CB -0.115 18.870 19.000 -0.026 0.000 1.020 25 A HN 0.888 nan 8.150 nan 0.000 0.508 26 G N -0.663 108.135 108.800 -0.003 0.000 2.508 26 G HA2 0.467 4.427 3.960 -0.000 0.000 0.278 26 G HA3 0.467 4.427 3.960 -0.000 0.000 0.278 26 G C 0.043 174.989 174.900 0.078 0.000 1.389 26 G CA -0.933 44.187 45.100 0.033 0.000 1.050 26 G HN 0.762 nan 8.290 nan 0.000 0.522 27 I N 0.716 121.365 120.570 0.130 0.000 2.598 27 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 27 I C 0.934 177.132 176.117 0.134 0.000 1.140 27 I CA 0.158 61.561 61.300 0.171 0.000 1.420 27 I CB 0.483 38.638 38.000 0.259 0.000 1.387 27 I HN 0.534 nan 8.210 nan 0.000 0.553 28 R N 6.411 126.945 120.500 0.056 0.000 2.902 28 R HA 0.747 5.087 4.340 -0.000 0.000 0.258 28 R C -2.918 173.108 176.300 -0.456 0.000 1.071 28 R CA -2.025 54.020 56.100 -0.091 0.000 1.024 28 R CB 0.330 30.580 30.300 -0.084 0.000 1.184 28 R HN 0.152 nan 8.270 nan 0.000 0.492 29 P HA 0.154 nan 4.420 nan 0.000 0.275 29 P C -2.437 174.440 177.300 -0.705 0.000 1.270 29 P CA -1.300 60.805 63.100 -1.658 0.000 0.791 29 P CB -0.214 30.595 31.700 -1.486 0.000 1.089 30 P HA -0.049 nan 4.420 nan 0.000 0.267 30 P C -0.043 177.122 177.300 -0.226 0.000 1.201 30 P CA 0.498 63.449 63.100 -0.248 0.000 0.775 30 P CB -0.174 31.413 31.700 -0.189 0.000 0.854 31 T N -1.729 112.734 114.554 -0.151 0.000 2.766 31 T HA 0.283 4.632 4.350 -0.000 0.000 0.295 31 T C 1.620 176.254 174.700 -0.109 0.000 1.024 31 T CA 0.038 62.066 62.100 -0.120 0.000 1.018 31 T CB 0.149 68.959 68.868 -0.096 0.000 1.002 31 T HN 0.425 nan 8.240 nan 0.000 0.532 32 A N 0.931 123.701 122.820 -0.084 0.000 1.933 32 A HA 0.141 4.460 4.320 -0.000 0.000 0.218 32 A C 2.485 180.026 177.584 -0.072 0.000 1.175 32 A CA 1.773 53.770 52.037 -0.067 0.000 0.628 32 A CB -1.694 17.275 19.000 -0.050 0.000 0.814 32 A HN 1.078 nan 8.150 nan 0.000 0.444 33 G N -0.162 108.593 108.800 -0.076 0.000 2.421 33 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.216 33 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.216 33 G C 1.435 176.277 174.900 -0.097 0.000 1.171 33 G CA 1.049 46.102 45.100 -0.078 0.000 0.775 33 G HN 0.711 nan 8.290 nan 0.000 0.543 34 N N 0.004 118.637 118.700 -0.112 0.000 2.069 34 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 34 N C 2.275 177.674 175.510 -0.186 0.000 1.031 34 N CA 1.052 54.016 53.050 -0.144 0.000 0.852 34 N CB -0.167 38.234 38.487 -0.143 0.000 1.018 34 N HN 0.271 nan 8.380 nan 0.000 0.423 35 R N 1.415 121.819 120.500 -0.159 0.000 2.075 35 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 35 R C 2.005 178.222 176.300 -0.137 0.000 1.126 35 R CA 1.290 57.290 56.100 -0.167 0.000 0.963 35 R CB -0.050 30.197 30.300 -0.088 0.000 0.858 35 R HN 0.060 nan 8.270 nan 0.000 0.435 36 E N 0.665 120.811 120.200 -0.090 0.000 2.070 36 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 36 E C 1.689 178.242 176.600 -0.079 0.000 1.004 36 E CA 2.060 58.423 56.400 -0.062 0.000 0.805 36 E CB -0.310 29.362 29.700 -0.048 0.000 0.744 36 E HN 0.472 nan 8.360 nan 0.000 0.451 37 A N 0.807 123.562 122.820 -0.107 0.000 1.929 37 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 37 A C 2.355 179.852 177.584 -0.146 0.000 1.176 37 A CA 1.490 53.461 52.037 -0.110 0.000 0.628 37 A CB -0.868 18.064 19.000 -0.114 0.000 0.816 37 A HN 0.511 nan 8.150 nan 0.000 0.444 38 I N -2.764 117.646 120.570 -0.266 0.000 2.500 38 I HA -0.109 4.061 4.170 -0.000 0.000 0.252 38 I C 1.765 177.730 176.117 -0.253 0.000 1.142 38 I CA 1.746 62.809 61.300 -0.394 0.000 1.451 38 I CB -0.601 36.873 38.000 -0.876 0.000 1.093 38 I HN 0.295 nan 8.210 nan 0.000 0.430 39 E N 2.145 122.237 120.200 -0.180 0.000 2.072 39 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 39 E C 2.475 179.135 176.600 0.101 0.000 0.985 39 E CA 1.322 57.767 56.400 0.075 0.000 0.801 39 E CB -0.165 29.600 29.700 0.107 0.000 0.750 39 E HN 0.665 nan 8.360 nan 0.000 0.452 40 A N 1.825 124.666 122.820 0.035 0.000 1.858 40 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 40 A C 2.459 180.078 177.584 0.058 0.000 1.190 40 A CA 1.766 53.827 52.037 0.040 0.000 0.617 40 A CB -0.795 18.210 19.000 0.009 0.000 0.827 40 A HN 0.286 nan 8.150 nan 0.000 0.443 41 A N -0.749 122.094 122.820 0.038 0.000 2.024 41 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 41 A C 2.107 179.787 177.584 0.160 0.000 1.164 41 A CA 2.448 54.519 52.037 0.057 0.000 0.643 41 A CB -0.894 18.105 19.000 -0.002 0.000 0.806 41 A HN 0.884 nan 8.150 nan 0.000 0.451 42 T N -5.399 109.292 114.554 0.227 0.000 3.040 42 T HA 0.424 4.774 4.350 -0.000 0.000 0.266 42 T C 1.196 176.008 174.700 0.186 0.000 1.005 42 T CA 0.917 63.192 62.100 0.292 0.000 0.906 42 T CB 0.013 69.183 68.868 0.503 0.000 1.082 42 T HN 1.609 nan 8.240 nan 0.000 0.531 43 G N 3.182 112.077 108.800 0.158 0.000 2.390 43 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.299 43 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.299 43 G C -0.037 174.925 174.900 0.103 0.000 1.002 43 G CA 0.555 45.720 45.100 0.109 0.000 0.979 43 G HN 1.065 nan 8.290 nan 0.000 0.513 44 R N -1.293 119.316 120.500 0.181 0.000 2.668 44 R HA 0.687 5.027 4.340 -0.000 0.000 0.272 44 R C -3.212 173.309 176.300 0.368 0.000 1.019 44 R CA -2.142 54.064 56.100 0.177 0.000 0.894 44 R CB 1.849 32.142 30.300 -0.011 0.000 1.228 44 R HN 0.032 nan 8.270 nan 0.000 0.460 45 P HA 0.103 nan 4.420 nan 0.000 0.271 45 P C -1.069 176.631 177.300 0.666 0.000 1.218 45 P CA -0.192 63.161 63.100 0.421 0.000 0.780 45 P CB 0.423 32.290 31.700 0.279 0.000 0.901 46 W N 0.280 121.761 121.300 0.302 0.000 2.415 46 W HA 0.286 4.946 4.660 -0.000 0.000 0.355 46 W C 0.470 177.078 176.519 0.149 0.000 1.161 46 W CA -0.346 57.159 57.345 0.266 0.000 1.315 46 W CB -0.167 29.429 29.460 0.226 0.000 1.261 46 W HN 0.155 nan 8.180 nan 0.000 0.636 47 T N 3.248 117.926 114.554 0.207 0.000 2.905 47 T HA -0.029 4.321 4.350 -0.000 0.000 0.299 47 T C -0.057 174.851 174.700 0.347 0.000 1.024 47 T CA 0.005 62.199 62.100 0.156 0.000 1.151 47 T CB 0.090 68.946 68.868 -0.020 0.000 0.987 47 T HN 0.069 nan 8.240 nan 0.000 0.535 48 E N 2.620 122.972 120.200 0.254 0.000 2.229 48 E HA 0.130 4.479 4.350 -0.000 0.000 0.283 48 E C -0.183 176.625 176.600 0.347 0.000 1.030 48 E CA -0.297 56.265 56.400 0.269 0.000 0.836 48 E CB 0.651 30.441 29.700 0.150 0.000 1.068 48 E HN 0.520 nan 8.360 nan 0.000 0.401 49 W N 1.007 122.299 121.300 -0.013 0.000 1.916 49 W HA 0.148 4.808 4.660 -0.000 0.000 0.403 49 W C 1.897 178.375 176.519 -0.069 0.000 1.711 49 W CA -0.756 56.565 57.345 -0.039 0.000 1.879 49 W CB -0.664 28.776 29.460 -0.032 0.000 1.359 49 W HN 0.329 nan 8.180 nan 0.000 0.718 50 T N 0.169 114.847 114.554 0.205 0.000 2.962 50 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 50 T C 0.419 175.107 174.700 -0.020 0.000 1.088 50 T CA 1.172 63.307 62.100 0.059 0.000 1.127 50 T CB -0.223 68.673 68.868 0.047 0.000 0.883 50 T HN 0.188 nan 8.240 nan 0.000 0.493 51 T N 1.798 116.377 114.554 0.043 0.000 2.859 51 T HA 0.327 4.677 4.350 -0.000 0.000 0.281 51 T C -0.470 174.148 174.700 -0.135 0.000 1.005 51 T CA -0.707 61.362 62.100 -0.052 0.000 1.025 51 T CB 0.861 69.764 68.868 0.058 0.000 0.977 51 T HN 0.221 nan 8.240 nan 0.000 0.458 52 H N 2.017 121.085 119.070 -0.003 0.000 2.871 52 H HA 0.026 4.581 4.556 -0.000 0.000 0.355 52 H C 0.090 175.361 175.328 -0.096 0.000 1.092 52 H CA -0.009 56.018 56.048 -0.035 0.000 1.420 52 H CB 0.482 30.228 29.762 -0.026 0.000 1.400 52 H HN 0.559 nan 8.280 nan 0.000 0.604 53 D N 0.872 121.275 120.400 0.005 0.000 2.571 53 D HA 0.021 4.661 4.640 -0.000 0.000 0.231 53 D C 1.556 177.804 176.300 -0.086 0.000 1.133 53 D CA 1.708 55.639 54.000 -0.116 0.000 0.862 53 D CB 0.410 41.158 40.800 -0.088 0.000 1.179 53 D HN 0.849 nan 8.370 nan 0.000 0.474 54 G N 2.101 110.817 108.800 -0.139 0.000 2.253 54 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.251 54 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.251 54 G C 0.326 175.195 174.900 -0.051 0.000 0.998 54 G CA 0.269 45.316 45.100 -0.088 0.000 0.621 54 G HN 0.558 nan 8.290 nan 0.000 0.524 55 E N -0.342 119.836 120.200 -0.035 0.000 2.280 55 E HA 0.603 4.953 4.350 -0.000 0.000 0.261 55 E C -0.260 176.345 176.600 0.009 0.000 1.088 55 E CA -0.992 55.410 56.400 0.004 0.000 0.915 55 E CB 1.612 31.342 29.700 0.049 0.000 1.141 55 E HN 0.216 nan 8.360 nan 0.000 0.433 56 L N 1.534 122.783 121.223 0.044 0.000 2.319 56 L HA 0.145 4.485 4.340 -0.000 0.000 0.280 56 L C 0.057 176.996 176.870 0.116 0.000 1.099 56 L CA 0.145 55.032 54.840 0.078 0.000 0.828 56 L CB 0.831 42.950 42.059 0.100 0.000 1.150 56 L HN 0.584 nan 8.230 nan 0.000 0.442 57 T N 1.386 116.031 114.554 0.151 0.000 2.882 57 T HA 0.404 4.754 4.350 -0.000 0.000 0.287 57 T C 1.333 176.147 174.700 0.191 0.000 1.014 57 T CA -0.235 61.974 62.100 0.182 0.000 1.049 57 T CB 1.229 70.265 68.868 0.280 0.000 1.001 57 T HN 0.734 nan 8.240 nan 0.000 0.525 58 G N 0.089 108.975 108.800 0.143 0.000 2.513 58 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.219 58 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.219 58 G C 1.276 176.281 174.900 0.174 0.000 1.160 58 G CA 1.427 46.597 45.100 0.116 0.000 0.767 58 G HN 1.057 nan 8.290 nan 0.000 0.571 59 H N 0.435 119.558 119.070 0.089 0.000 2.352 59 H HA -0.012 4.543 4.556 -0.000 0.000 0.299 59 H C 2.732 178.121 175.328 0.101 0.000 1.097 59 H CA 1.986 58.078 56.048 0.072 0.000 1.311 59 H CB -0.463 29.324 29.762 0.042 0.000 1.377 59 H HN 0.271 nan 8.280 nan 0.000 0.504 60 G N -0.818 108.166 108.800 0.306 0.000 2.440 60 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 60 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 60 G C 1.543 176.524 174.900 0.134 0.000 1.154 60 G CA 0.981 46.210 45.100 0.216 0.000 0.767 60 G HN 0.518 nan 8.290 nan 0.000 0.552 61 Y N 1.830 122.150 120.300 0.033 0.000 2.114 61 Y HA 0.015 4.565 4.550 -0.000 0.000 0.284 61 Y C 3.015 178.897 175.900 -0.029 0.000 1.143 61 Y CA 1.393 59.494 58.100 0.002 0.000 1.135 61 Y CB -0.441 38.022 38.460 0.005 0.000 0.980 61 Y HN 0.249 nan 8.280 nan 0.000 0.499 62 A N 0.134 123.079 122.820 0.208 0.000 1.940 62 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 62 A C 2.397 179.953 177.584 -0.047 0.000 1.176 62 A CA 2.035 54.105 52.037 0.056 0.000 0.631 62 A CB -1.456 17.508 19.000 -0.059 0.000 0.814 62 A HN 0.571 nan 8.150 nan 0.000 0.446 63 A N -0.720 122.048 122.820 -0.087 0.000 1.898 63 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 63 A C 2.220 179.768 177.584 -0.059 0.000 1.181 63 A CA 1.730 53.721 52.037 -0.078 0.000 0.620 63 A CB -0.870 18.111 19.000 -0.031 0.000 0.819 63 A HN 0.395 nan 8.150 nan 0.000 0.442 64 V N -0.316 119.551 119.914 -0.079 0.000 2.427 64 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 64 V C 2.572 178.587 176.094 -0.132 0.000 1.051 64 V CA 1.772 64.002 62.300 -0.117 0.000 1.048 64 V CB -0.683 31.025 31.823 -0.192 0.000 0.666 64 V HN 0.364 nan 8.190 nan 0.000 0.456 65 V N 0.825 120.648 119.914 -0.151 0.000 2.255 65 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 65 V C 2.376 178.438 176.094 -0.052 0.000 1.051 65 V CA 2.336 64.583 62.300 -0.087 0.000 1.018 65 V CB -0.934 30.892 31.823 0.004 0.000 0.641 65 V HN 0.580 nan 8.190 nan 0.000 0.445 66 N N 0.194 118.865 118.700 -0.048 0.000 2.137 66 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 66 N C 1.835 177.315 175.510 -0.050 0.000 1.017 66 N CA 1.693 54.715 53.050 -0.047 0.000 0.859 66 N CB -0.386 38.070 38.487 -0.053 0.000 1.002 66 N HN 0.548 nan 8.380 nan 0.000 0.428 67 K N 0.639 121.007 120.400 -0.052 0.000 2.076 67 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 67 K C 1.988 178.564 176.600 -0.041 0.000 1.051 67 K CA 1.141 57.398 56.287 -0.051 0.000 0.949 67 K CB -0.335 32.136 32.500 -0.047 0.000 0.726 67 K HN 0.134 nan 8.250 nan 0.000 0.443 68 G N 1.696 110.480 108.800 -0.027 0.000 2.440 68 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 68 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 68 G C 1.648 176.526 174.900 -0.037 0.000 1.154 68 G CA 0.792 45.893 45.100 0.002 0.000 0.767 68 G HN 0.347 nan 8.290 nan 0.000 0.552 69 R N 0.583 121.052 120.500 -0.051 0.000 2.083 69 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 69 R C 2.477 178.735 176.300 -0.070 0.000 1.137 69 R CA 2.035 58.099 56.100 -0.060 0.000 0.951 69 R CB -0.276 30.000 30.300 -0.040 0.000 0.851 69 R HN 0.440 nan 8.270 nan 0.000 0.434 70 E N 0.642 120.799 120.200 -0.072 0.000 2.072 70 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 70 E C 1.760 178.285 176.600 -0.124 0.000 0.985 70 E CA 1.753 58.100 56.400 -0.089 0.000 0.801 70 E CB -0.200 29.442 29.700 -0.096 0.000 0.750 70 E HN 0.444 nan 8.360 nan 0.000 0.452 71 E N -0.526 119.587 120.200 -0.146 0.000 2.085 71 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 71 E C 1.974 178.427 176.600 -0.244 0.000 0.994 71 E CA 1.237 57.490 56.400 -0.245 0.000 0.801 71 E CB -0.511 29.113 29.700 -0.126 0.000 0.743 71 E HN 0.464 nan 8.360 nan 0.000 0.453 72 G N 0.208 108.925 108.800 -0.138 0.000 2.408 72 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 72 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 72 G C 1.381 176.225 174.900 -0.092 0.000 1.150 72 G CA 0.670 45.676 45.100 -0.156 0.000 0.776 72 G HN 0.267 nan 8.290 nan 0.000 0.542 73 Q N -0.854 118.898 119.800 -0.080 0.000 2.123 73 Q HA -0.060 4.280 4.340 -0.000 0.000 0.199 73 Q C 2.245 178.225 176.000 -0.034 0.000 0.966 73 Q CA 1.261 57.042 55.803 -0.037 0.000 0.845 73 Q CB -0.203 28.520 28.738 -0.025 0.000 0.907 73 Q HN 0.708 nan 8.270 nan 0.000 0.439 74 H N -0.363 118.583 119.070 -0.206 0.000 2.321 74 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 74 H C 1.125 176.334 175.328 -0.197 0.000 1.087 74 H CA 1.729 57.620 56.048 -0.261 0.000 1.319 74 H CB -0.081 29.410 29.762 -0.452 0.000 1.379 74 H HN 0.224 nan 8.280 nan 0.000 0.501 75 Y N 0.235 120.407 120.300 -0.214 0.000 2.516 75 Y HA 0.087 4.637 4.550 -0.000 0.000 0.291 75 Y C 2.510 178.320 175.900 -0.150 0.000 1.131 75 Y CA 0.551 58.481 58.100 -0.283 0.000 1.281 75 Y CB -0.143 38.129 38.460 -0.314 0.000 1.013 75 Y HN 0.188 nan 8.280 nan 0.000 0.554 76 R N -0.447 120.084 120.500 0.051 0.000 2.093 76 R HA -0.125 4.215 4.340 -0.000 0.000 0.224 76 R C 2.256 178.568 176.300 0.020 0.000 1.101 76 R CA 0.881 57.015 56.100 0.056 0.000 0.979 76 R CB -0.135 30.205 30.300 0.067 0.000 0.877 76 R HN 0.262 nan 8.270 nan 0.000 0.441 77 Q N 0.979 120.770 119.800 -0.015 0.000 2.172 77 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 77 Q C 1.691 177.683 176.000 -0.014 0.000 0.964 77 Q CA 1.167 56.964 55.803 -0.010 0.000 0.855 77 Q CB 0.201 28.933 28.738 -0.009 0.000 0.918 77 Q HN 0.369 nan 8.270 nan 0.000 0.444 78 L N -0.504 120.684 121.223 -0.059 0.000 2.599 78 L HA 0.081 4.420 4.340 -0.000 0.000 0.230 78 L C 1.281 178.155 176.870 0.008 0.000 1.141 78 L CA 0.582 55.414 54.840 -0.014 0.000 0.877 78 L CB -0.172 41.849 42.059 -0.063 0.000 1.009 78 L HN 0.441 nan 8.230 nan 0.000 0.447 79 G N 0.293 109.098 108.800 0.009 0.000 2.162 79 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 79 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 79 G C 0.824 175.719 174.900 -0.007 0.000 0.976 79 G CA 0.621 45.730 45.100 0.015 0.000 0.655 79 G HN 0.326 nan 8.290 nan 0.000 0.533 80 L N -0.307 120.893 121.223 -0.039 0.000 2.093 80 L HA 0.394 4.734 4.340 -0.000 0.000 0.208 80 L C 1.293 178.166 176.870 0.005 0.000 1.085 80 L CA 1.689 56.483 54.840 -0.076 0.000 0.755 80 L CB -0.031 41.906 42.059 -0.204 0.000 0.904 80 L HN 0.381 nan 8.230 nan 0.000 0.435 81 L N 0.179 121.447 121.223 0.075 0.000 2.334 81 L HA 0.367 4.707 4.340 -0.000 0.000 0.276 81 L C -0.012 176.933 176.870 0.126 0.000 1.014 81 L CA -0.980 53.953 54.840 0.156 0.000 0.815 81 L CB 1.385 43.622 42.059 0.297 0.000 1.268 81 L HN 0.034 nan 8.230 nan 0.000 0.428 82 Q N 1.294 121.163 119.800 0.115 0.000 2.471 82 Q HA 0.384 4.723 4.340 -0.000 0.000 0.223 82 Q C 0.110 176.181 176.000 0.119 0.000 1.045 82 Q CA -0.377 55.481 55.803 0.092 0.000 0.956 82 Q CB 0.743 29.520 28.738 0.066 0.000 1.249 82 Q HN 0.719 nan 8.270 nan 0.000 0.549 83 A N 0.008 122.883 122.820 0.092 0.000 2.429 83 A HA 0.452 4.771 4.320 -0.000 0.000 0.242 83 A C 0.925 178.577 177.584 0.114 0.000 1.088 83 A CA 0.722 52.818 52.037 0.097 0.000 0.784 83 A CB -0.734 18.307 19.000 0.068 0.000 1.038 83 A HN 0.892 nan 8.150 nan 0.000 0.501 84 G N -1.009 107.867 108.800 0.126 0.000 2.575 84 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.267 84 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.267 84 G C 0.357 175.352 174.900 0.158 0.000 1.264 84 G CA -0.107 45.069 45.100 0.126 0.000 0.935 84 G HN 1.657 nan 8.290 nan 0.000 0.568 85 c N 3.289 121.942 118.600 0.089 0.000 2.637 85 c HA 0.524 5.093 4.570 -0.000 0.000 0.418 85 c C -0.876 173.170 174.090 -0.073 0.000 1.319 85 c CA -0.279 56.063 56.329 0.022 0.000 1.949 85 c CB 0.275 42.784 42.510 -0.002 0.000 2.639 85 c HN 0.734 nan 8.230 nan 0.000 0.594 86 P HA 0.302 nan 4.420 nan 0.000 0.274 86 P C 0.044 177.234 177.300 -0.184 0.000 1.231 86 P CA 0.100 63.000 63.100 -0.332 0.000 0.790 86 P CB 0.523 31.735 31.700 -0.813 0.000 0.951 87 T N -2.699 111.791 114.554 -0.107 0.000 2.876 87 T HA 0.565 4.915 4.350 -0.000 0.000 0.277 87 T C 1.216 175.885 174.700 -0.051 0.000 0.997 87 T CA -0.133 61.931 62.100 -0.061 0.000 0.966 87 T CB 0.430 69.281 68.868 -0.028 0.000 1.312 87 T HN 0.254 nan 8.240 nan 0.000 0.598 88 A N -0.447 122.362 122.820 -0.018 0.000 2.167 88 A HA 0.068 4.388 4.320 -0.000 0.000 0.214 88 A C 2.044 179.635 177.584 0.011 0.000 1.151 88 A CA 1.020 53.063 52.037 0.010 0.000 0.735 88 A CB -0.827 18.186 19.000 0.021 0.000 0.802 88 A HN 0.872 nan 8.150 nan 0.000 0.467 89 E N 0.459 120.657 120.200 -0.002 0.000 2.478 89 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 89 E C 1.289 177.902 176.600 0.022 0.000 1.045 89 E CA 0.916 57.319 56.400 0.004 0.000 0.868 89 E CB -0.011 29.686 29.700 -0.005 0.000 0.885 89 E HN 0.536 nan 8.360 nan 0.000 0.505 90 S N 0.401 116.109 115.700 0.014 0.000 2.348 90 S HA 0.114 4.583 4.470 -0.000 0.000 0.219 90 S C 1.294 175.955 174.600 0.103 0.000 1.033 90 S CA 0.610 58.841 58.200 0.051 0.000 0.974 90 S CB 0.447 63.653 63.200 0.009 0.000 0.868 90 S HN 0.355 nan 8.310 nan 0.000 0.459 91 I N -0.387 120.195 120.570 0.020 0.000 2.802 91 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 91 I C -2.159 173.970 176.117 0.020 0.000 1.176 91 I CA -1.199 60.095 61.300 -0.010 0.000 1.025 91 I CB 2.278 40.173 38.000 -0.174 0.000 1.243 91 I HN 0.188 nan 8.210 nan 0.000 0.424 92 Y N 6.471 126.704 120.300 -0.113 0.000 2.373 92 Y HA 0.660 5.210 4.550 -0.000 0.000 0.336 92 Y C -1.590 174.263 175.900 -0.077 0.000 0.979 92 Y CA -0.645 57.418 58.100 -0.061 0.000 1.080 92 Y CB 1.670 40.095 38.460 -0.058 0.000 1.190 92 Y HN 0.238 nan 8.280 nan 0.000 0.446 93 V N 7.183 126.800 119.914 -0.495 0.000 2.398 93 V HA 0.557 4.676 4.120 -0.000 0.000 0.286 93 V C -0.519 175.349 176.094 -0.376 0.000 1.026 93 V CA -0.834 61.254 62.300 -0.353 0.000 0.868 93 V CB 1.410 33.061 31.823 -0.286 0.000 0.982 93 V HN 0.735 nan 8.190 nan 0.000 0.443 94 R N 3.583 124.012 120.500 -0.118 0.000 2.439 94 R HA 0.777 5.117 4.340 -0.000 0.000 0.310 94 R C -0.655 175.734 176.300 0.148 0.000 0.955 94 R CA -0.270 55.868 56.100 0.062 0.000 0.853 94 R CB 1.540 31.977 30.300 0.229 0.000 1.171 94 R HN 0.850 nan 8.270 nan 0.000 0.449 95 A N 3.143 126.045 122.820 0.137 0.000 2.330 95 A HA 0.403 4.723 4.320 -0.000 0.000 0.327 95 A C -0.296 177.345 177.584 0.094 0.000 1.155 95 A CA -0.580 51.468 52.037 0.019 0.000 0.803 95 A CB 1.648 20.623 19.000 -0.042 0.000 1.208 95 A HN 0.775 nan 8.150 nan 0.000 0.477 96 S N 2.484 118.059 115.700 -0.209 0.000 2.571 96 S HA 0.060 4.529 4.470 -0.000 0.000 0.298 96 S C -0.987 173.666 174.600 0.088 0.000 1.280 96 S CA 0.003 58.183 58.200 -0.033 0.000 1.052 96 S CB 0.402 63.412 63.200 -0.317 0.000 0.799 96 S HN 0.563 nan 8.310 nan 0.000 0.501 97 P HA 0.051 nan 4.420 nan 0.000 0.242 97 P C 0.088 177.383 177.300 -0.009 0.000 1.197 97 P CA 0.042 63.217 63.100 0.126 0.000 0.765 97 P CB 0.012 31.864 31.700 0.254 0.000 0.936 98 L N 0.769 122.017 121.223 0.042 0.000 2.482 98 L HA 0.013 4.353 4.340 -0.000 0.000 0.273 98 L C 2.392 179.226 176.870 -0.060 0.000 1.228 98 L CA 0.710 55.557 54.840 0.013 0.000 0.827 98 L CB -0.401 41.712 42.059 0.090 0.000 1.099 98 L HN -0.091 nan 8.230 nan 0.000 0.494 99 Q N 2.312 122.077 119.800 -0.059 0.000 2.061 99 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 99 Q C 2.006 177.974 176.000 -0.053 0.000 0.984 99 Q CA 2.263 58.020 55.803 -0.077 0.000 0.846 99 Q CB -0.042 28.669 28.738 -0.046 0.000 0.902 99 Q HN 0.729 nan 8.270 nan 0.000 0.421 100 R N -0.310 120.180 120.500 -0.018 0.000 2.148 100 R HA -0.060 4.280 4.340 -0.000 0.000 0.227 100 R C 1.926 178.197 176.300 -0.048 0.000 1.103 100 R CA 1.779 57.874 56.100 -0.008 0.000 0.983 100 R CB -0.695 29.614 30.300 0.015 0.000 0.874 100 R HN 0.256 nan 8.270 nan 0.000 0.451 101 T N -1.666 112.838 114.554 -0.082 0.000 3.044 101 T HA 0.180 4.530 4.350 -0.000 0.000 0.255 101 T C 1.855 176.464 174.700 -0.153 0.000 1.073 101 T CA -0.064 61.938 62.100 -0.164 0.000 1.125 101 T CB 0.019 68.710 68.868 -0.295 0.000 0.908 101 T HN 0.208 nan 8.240 nan 0.000 0.480 102 R N 1.427 121.832 120.500 -0.158 0.000 2.081 102 R HA 0.125 4.465 4.340 -0.000 0.000 0.235 102 R C 2.877 179.110 176.300 -0.110 0.000 1.131 102 R CA 1.430 57.421 56.100 -0.182 0.000 0.960 102 R CB -0.617 29.485 30.300 -0.330 0.000 0.856 102 R HN 0.496 nan 8.270 nan 0.000 0.436 103 A N 0.345 123.125 122.820 -0.066 0.000 1.968 103 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 103 A C 2.153 179.713 177.584 -0.041 0.000 1.169 103 A CA 1.531 53.583 52.037 0.025 0.000 0.638 103 A CB -0.550 18.498 19.000 0.082 0.000 0.812 103 A HN 0.232 nan 8.150 nan 0.000 0.446 104 T N 0.409 114.907 114.554 -0.093 0.000 2.708 104 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 104 T C 2.262 176.856 174.700 -0.177 0.000 1.037 104 T CA 1.600 63.603 62.100 -0.161 0.000 1.146 104 T CB -0.471 68.324 68.868 -0.121 0.000 0.865 104 T HN 0.591 nan 8.240 nan 0.000 0.435 105 A N 1.415 124.152 122.820 -0.138 0.000 1.917 105 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 105 A C 2.261 179.772 177.584 -0.121 0.000 1.182 105 A CA 1.880 53.840 52.037 -0.128 0.000 0.633 105 A CB -0.759 18.171 19.000 -0.116 0.000 0.819 105 A HN 0.575 nan 8.150 nan 0.000 0.448 106 Q N -0.886 118.857 119.800 -0.095 0.000 2.124 106 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 106 Q C 2.412 178.356 176.000 -0.093 0.000 0.977 106 Q CA 1.235 57.015 55.803 -0.039 0.000 0.850 106 Q CB -0.377 28.399 28.738 0.063 0.000 0.901 106 Q HN 0.711 nan 8.270 nan 0.000 0.429 107 A N 0.842 123.448 122.820 -0.357 0.000 1.902 107 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 107 A C 2.055 179.460 177.584 -0.298 0.000 1.181 107 A CA 1.063 52.684 52.037 -0.692 0.000 0.623 107 A CB -0.678 17.566 19.000 -1.260 0.000 0.818 107 A HN 0.283 nan 8.150 nan 0.000 0.443 108 L N -0.011 121.098 121.223 -0.191 0.000 2.012 108 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 108 L C 2.663 179.523 176.870 -0.016 0.000 1.073 108 L CA 1.794 56.592 54.840 -0.070 0.000 0.748 108 L CB -0.674 41.368 42.059 -0.028 0.000 0.891 108 L HN 0.466 nan 8.230 nan 0.000 0.431 109 V N -4.090 115.825 119.914 0.003 0.000 2.809 109 V HA -0.157 3.963 4.120 -0.000 0.000 0.256 109 V C 2.042 178.236 176.094 0.167 0.000 1.080 109 V CA 1.687 64.083 62.300 0.160 0.000 1.102 109 V CB -0.504 31.418 31.823 0.164 0.000 0.705 109 V HN 0.346 nan 8.190 nan 0.000 0.475 110 D N 1.846 122.293 120.400 0.079 0.000 2.117 110 D HA -0.052 4.588 4.640 -0.000 0.000 0.197 110 D C 2.160 178.500 176.300 0.067 0.000 0.987 110 D CA 1.941 56.000 54.000 0.100 0.000 0.829 110 D CB -0.460 40.422 40.800 0.136 0.000 0.961 110 D HN 0.503 nan 8.370 nan 0.000 0.460 111 G N 0.015 108.822 108.800 0.011 0.000 2.394 111 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.215 111 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.215 111 G C 1.617 176.474 174.900 -0.072 0.000 1.165 111 G CA 0.976 46.065 45.100 -0.019 0.000 0.784 111 G HN 0.390 nan 8.290 nan 0.000 0.535 112 A N -0.418 122.312 122.820 -0.150 0.000 2.072 112 A HA 0.471 4.790 4.320 -0.000 0.000 0.216 112 A C 0.390 177.517 177.584 -0.762 0.000 1.156 112 A CA 0.335 52.089 52.037 -0.471 0.000 0.701 112 A CB -0.020 18.654 19.000 -0.543 0.000 0.816 112 A HN 0.245 nan 8.150 nan 0.000 0.458 113 F N -0.089 119.915 119.950 0.091 0.000 2.710 113 F HA 0.335 4.862 4.527 -0.000 0.000 0.345 113 F C -2.801 173.030 175.800 0.052 0.000 1.362 113 F CA -3.167 54.878 58.000 0.074 0.000 1.175 113 F CB 0.809 39.846 39.000 0.062 0.000 1.561 113 F HN -0.100 nan 8.300 nan 0.000 0.593 114 P HA 0.150 nan 4.420 nan 0.000 0.261 114 P C 1.047 178.413 177.300 0.109 0.000 1.183 114 P CA 1.140 64.301 63.100 0.102 0.000 0.761 114 P CB 0.777 32.516 31.700 0.065 0.000 0.785 115 G N 2.257 111.113 108.800 0.093 0.000 2.184 115 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.264 115 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.264 115 G C 0.907 175.850 174.900 0.072 0.000 0.975 115 G CA 0.213 45.356 45.100 0.072 0.000 0.642 115 G HN 0.565 nan 8.290 nan 0.000 0.536 116 c N 1.228 119.887 118.600 0.099 0.000 2.576 116 c HA 0.505 5.075 4.570 -0.000 0.000 0.267 116 c C 2.276 176.387 174.090 0.035 0.000 1.364 116 c CA 0.433 56.804 56.329 0.071 0.000 1.723 116 c CB -1.179 41.385 42.510 0.091 0.000 1.778 116 c HN 2.006 nan 8.230 nan 0.000 0.572 117 G N 1.520 110.346 108.800 0.043 0.000 2.341 117 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.292 117 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.292 117 G C 0.012 174.908 174.900 -0.007 0.000 1.021 117 G CA 0.367 45.478 45.100 0.019 0.000 0.905 117 G HN 0.455 nan 8.290 nan 0.000 0.508 118 V N 0.460 120.370 119.914 -0.006 0.000 2.508 118 V HA 0.547 4.666 4.120 -0.000 0.000 0.281 118 V C 1.106 177.151 176.094 -0.083 0.000 1.041 118 V CA -0.041 62.222 62.300 -0.061 0.000 1.016 118 V CB 0.889 32.667 31.823 -0.075 0.000 0.984 118 V HN 1.013 nan 8.190 nan 0.000 0.478 119 A N 6.230 128.973 122.820 -0.128 0.000 2.322 119 A HA 0.784 5.104 4.320 -0.000 0.000 0.269 119 A C -0.304 177.070 177.584 -0.350 0.000 1.094 119 A CA -0.390 51.524 52.037 -0.206 0.000 0.807 119 A CB 0.366 19.232 19.000 -0.223 0.000 1.047 119 A HN 0.968 nan 8.150 nan 0.000 0.487 120 I N -1.504 118.847 120.570 -0.366 0.000 2.910 120 I HA 0.644 4.814 4.170 -0.000 0.000 0.310 120 I C -0.341 175.450 176.117 -0.544 0.000 1.043 120 I CA -0.551 60.511 61.300 -0.397 0.000 1.053 120 I CB 1.670 39.569 38.000 -0.168 0.000 1.242 120 I HN 0.594 nan 8.210 nan 0.000 0.452 121 H N 2.150 121.149 119.070 -0.119 0.000 2.622 121 H HA 0.615 5.171 4.556 -0.000 0.000 0.363 121 H C -1.466 173.916 175.328 0.089 0.000 1.151 121 H CA -0.308 55.691 56.048 -0.081 0.000 1.184 121 H CB 1.967 31.614 29.762 -0.192 0.000 1.643 121 H HN 0.799 nan 8.280 nan 0.000 0.531 122 Y N -1.363 119.003 120.300 0.111 0.000 2.638 122 Y HA 0.655 5.205 4.550 -0.000 0.000 0.335 122 Y C -0.868 175.103 175.900 0.119 0.000 1.155 122 Y CA -1.485 56.680 58.100 0.108 0.000 1.046 122 Y CB 0.433 38.930 38.460 0.062 0.000 1.303 122 Y HN 0.703 nan 8.280 nan 0.000 0.460 123 A N 1.592 124.533 122.820 0.201 0.000 2.425 123 A HA 0.244 4.564 4.320 -0.000 0.000 0.242 123 A C 0.467 178.093 177.584 0.069 0.000 1.077 123 A CA -0.286 51.813 52.037 0.103 0.000 0.781 123 A CB -0.024 19.080 19.000 0.174 0.000 1.020 123 A HN 0.886 nan 8.150 nan 0.000 0.494 124 N N 1.383 120.089 118.700 0.010 0.000 2.457 124 N HA -0.058 4.682 4.740 -0.000 0.000 0.180 124 N C 1.109 176.679 175.510 0.100 0.000 1.050 124 N CA 1.017 54.084 53.050 0.029 0.000 0.906 124 N CB 0.018 38.502 38.487 -0.005 0.000 0.968 124 N HN 0.722 nan 8.380 nan 0.000 0.445 125 G N 0.760 109.627 108.800 0.112 0.000 2.504 125 G HA2 0.029 3.988 3.960 -0.000 0.000 0.257 125 G HA3 0.029 3.988 3.960 -0.000 0.000 0.257 125 G C 0.218 175.193 174.900 0.126 0.000 1.451 125 G CA -0.146 45.016 45.100 0.104 0.000 1.059 125 G HN -0.040 nan 8.290 nan 0.000 0.550 126 D N -0.001 120.456 120.400 0.096 0.000 2.339 126 D HA 0.353 4.993 4.640 -0.000 0.000 0.217 126 D C 0.694 177.074 176.300 0.133 0.000 1.050 126 D CA 0.462 54.520 54.000 0.097 0.000 0.856 126 D CB 0.591 41.419 40.800 0.048 0.000 0.922 126 D HN 0.421 nan 8.370 nan 0.000 0.518 127 A N 0.712 123.638 122.820 0.176 0.000 2.381 127 A HA 0.400 4.720 4.320 -0.000 0.000 0.299 127 A C -1.277 176.536 177.584 0.382 0.000 1.049 127 A CA -0.763 51.436 52.037 0.270 0.000 0.715 127 A CB 1.842 20.930 19.000 0.148 0.000 1.222 127 A HN -0.114 nan 8.150 nan 0.000 0.428 128 D N 4.055 124.676 120.400 0.368 0.000 2.308 128 D HA 0.408 5.047 4.640 -0.000 0.000 0.242 128 D C -1.872 174.439 176.300 0.017 0.000 1.059 128 D CA -1.912 52.219 54.000 0.219 0.000 0.830 128 D CB 2.280 43.257 40.800 0.294 0.000 1.161 128 D HN 0.193 nan 8.370 nan 0.000 0.494 129 P HA -0.046 nan 4.420 nan 0.000 0.226 129 P C 1.572 178.562 177.300 -0.517 0.000 1.153 129 P CA 0.461 63.001 63.100 -0.934 0.000 0.777 129 P CB 0.494 31.448 31.700 -1.243 0.000 0.794 130 L N -2.906 117.991 121.223 -0.543 0.000 2.376 130 L HA -0.018 4.321 4.340 -0.000 0.000 0.219 130 L C 1.783 178.349 176.870 -0.507 0.000 1.133 130 L CA 1.105 55.544 54.840 -0.668 0.000 0.816 130 L CB -0.437 40.915 42.059 -1.178 0.000 0.933 130 L HN -0.079 nan 8.230 nan 0.000 0.449 131 F N -1.888 118.090 119.950 0.048 0.000 2.212 131 F HA 0.140 4.667 4.527 -0.000 0.000 0.262 131 F C 1.198 177.083 175.800 0.142 0.000 0.906 131 F CA -0.564 57.503 58.000 0.112 0.000 1.127 131 F CB -0.230 38.859 39.000 0.148 0.000 1.178 131 F HN -0.243 nan 8.300 nan 0.000 0.779 132 Q N 1.544 121.568 119.800 0.373 0.000 3.179 132 Q HA 0.123 4.462 4.340 -0.000 0.000 0.328 132 Q C 1.390 177.581 176.000 0.318 0.000 1.336 132 Q CA 0.344 56.320 55.803 0.288 0.000 0.939 132 Q CB -0.428 28.477 28.738 0.278 0.000 1.658 132 Q HN 0.464 nan 8.270 nan 0.000 0.486 133 T N -3.143 111.547 114.554 0.226 0.000 2.929 133 T HA -0.184 4.166 4.350 -0.000 0.000 0.271 133 T C 1.178 176.005 174.700 0.212 0.000 1.085 133 T CA 1.228 63.451 62.100 0.205 0.000 1.125 133 T CB -0.051 68.862 68.868 0.076 0.000 0.874 133 T HN 0.464 nan 8.240 nan 0.000 0.494 134 D N 0.723 121.203 120.400 0.132 0.000 2.378 134 D HA -0.038 4.602 4.640 -0.000 0.000 0.227 134 D C 1.340 177.663 176.300 0.039 0.000 1.012 134 D CA 0.273 54.315 54.000 0.070 0.000 0.905 134 D CB -0.163 40.652 40.800 0.025 0.000 0.895 134 D HN 0.240 nan 8.370 nan 0.000 0.532 135 K N -0.076 120.356 120.400 0.053 0.000 2.387 135 K HA 0.184 4.504 4.320 -0.000 0.000 0.198 135 K C -0.522 175.765 176.600 -0.521 0.000 1.022 135 K CA -0.202 55.942 56.287 -0.238 0.000 1.128 135 K CB 0.158 32.436 32.500 -0.369 0.000 0.853 135 K HN 0.165 nan 8.250 nan 0.000 0.523 136 F N -0.638 119.308 119.950 -0.006 0.000 2.547 136 F HA 0.342 4.869 4.527 -0.000 0.000 0.316 136 F C 1.260 177.053 175.800 -0.012 0.000 1.121 136 F CA -0.948 57.046 58.000 -0.010 0.000 0.911 136 F CB 1.521 40.512 39.000 -0.015 0.000 1.179 136 F HN -0.169 nan 8.300 nan 0.000 0.443 137 A N 2.545 125.449 122.820 0.140 0.000 1.873 137 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 137 A C 2.248 179.879 177.584 0.079 0.000 1.193 137 A CA 2.341 54.425 52.037 0.079 0.000 0.629 137 A CB -1.170 17.863 19.000 0.055 0.000 0.826 137 A HN 0.923 nan 8.150 nan 0.000 0.447 138 A N -0.978 121.894 122.820 0.087 0.000 2.125 138 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 138 A C 1.899 179.500 177.584 0.028 0.000 1.156 138 A CA 2.165 54.229 52.037 0.045 0.000 0.671 138 A CB -0.876 18.138 19.000 0.023 0.000 0.794 138 A HN 0.955 nan 8.150 nan 0.000 0.459 139 T N -3.518 111.069 114.554 0.054 0.000 3.200 139 T HA 0.381 4.731 4.350 -0.000 0.000 0.284 139 T C 0.206 174.919 174.700 0.022 0.000 1.009 139 T CA -0.381 61.731 62.100 0.020 0.000 0.907 139 T CB -0.002 68.874 68.868 0.013 0.000 1.120 139 T HN 0.401 nan 8.240 nan 0.000 0.534 140 Q N 2.432 122.250 119.800 0.031 0.000 2.227 140 Q HA 0.491 4.831 4.340 -0.000 0.000 0.245 140 Q C 0.093 176.095 176.000 0.004 0.000 0.926 140 Q CA -0.585 55.232 55.803 0.023 0.000 0.895 140 Q CB 1.326 30.084 28.738 0.033 0.000 1.230 140 Q HN 0.558 nan 8.270 nan 0.000 0.450 141 T N -1.495 113.063 114.554 0.007 0.000 2.904 141 T HA 0.168 4.518 4.350 -0.000 0.000 0.290 141 T C -0.321 174.463 174.700 0.141 0.000 1.018 141 T CA -0.972 61.169 62.100 0.068 0.000 1.075 141 T CB 1.012 69.937 68.868 0.096 0.000 0.986 141 T HN 0.514 nan 8.240 nan 0.000 0.523 142 D N 2.399 122.949 120.400 0.250 0.000 2.316 142 D HA 0.314 4.954 4.640 -0.000 0.000 0.245 142 D C -1.514 174.849 176.300 0.105 0.000 1.171 142 D CA -2.214 51.873 54.000 0.145 0.000 0.856 142 D CB 1.142 42.012 40.800 0.117 0.000 1.090 142 D HN 0.126 nan 8.370 nan 0.000 0.476 143 P HA -0.285 nan 4.420 nan 0.000 0.216 143 P C 1.005 178.306 177.300 0.002 0.000 1.167 143 P CA 2.299 65.417 63.100 0.029 0.000 0.914 143 P CB 0.061 31.770 31.700 0.014 0.000 0.793 144 A N -0.394 122.416 122.820 -0.017 0.000 1.883 144 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 144 A C 2.245 179.768 177.584 -0.101 0.000 1.186 144 A CA 1.799 53.807 52.037 -0.047 0.000 0.624 144 A CB -1.028 17.945 19.000 -0.045 0.000 0.822 144 A HN 0.043 nan 8.150 nan 0.000 0.444 145 R N -0.575 119.830 120.500 -0.157 0.000 2.096 145 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 145 R C 2.340 178.367 176.300 -0.454 0.000 1.127 145 R CA 1.695 57.555 56.100 -0.400 0.000 0.968 145 R CB -0.732 29.177 30.300 -0.652 0.000 0.861 145 R HN 0.817 nan 8.270 nan 0.000 0.440 146 Q N 1.137 120.850 119.800 -0.146 0.000 1.993 146 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 146 Q C 2.065 178.060 176.000 -0.007 0.000 0.984 146 Q CA 1.309 57.148 55.803 0.060 0.000 0.837 146 Q CB -0.437 28.410 28.738 0.181 0.000 0.902 146 Q HN 0.170 nan 8.270 nan 0.000 0.423 147 L N 0.446 121.655 121.223 -0.022 0.000 2.051 147 L HA -0.208 4.132 4.340 -0.000 0.000 0.214 147 L C 2.174 179.019 176.870 -0.042 0.000 1.076 147 L CA 2.586 57.410 54.840 -0.027 0.000 0.758 147 L CB -1.105 40.938 42.059 -0.027 0.000 0.890 147 L HN 0.376 nan 8.230 nan 0.000 0.433 148 A N -1.283 121.490 122.820 -0.078 0.000 1.930 148 A HA 0.121 4.440 4.320 -0.000 0.000 0.215 148 A C 2.380 179.922 177.584 -0.071 0.000 1.176 148 A CA 1.323 53.314 52.037 -0.077 0.000 0.632 148 A CB -0.905 18.033 19.000 -0.104 0.000 0.819 148 A HN 0.556 nan 8.150 nan 0.000 0.445 149 A N -0.575 122.190 122.820 -0.093 0.000 1.929 149 A HA 0.094 4.413 4.320 -0.000 0.000 0.216 149 A C 2.189 179.774 177.584 0.002 0.000 1.176 149 A CA 1.542 53.554 52.037 -0.042 0.000 0.628 149 A CB -0.760 18.232 19.000 -0.014 0.000 0.816 149 A HN 0.301 nan 8.150 nan 0.000 0.444 150 V N 0.281 120.199 119.914 0.007 0.000 2.307 150 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 150 V C 2.456 178.552 176.094 0.003 0.000 1.045 150 V CA 2.289 64.593 62.300 0.007 0.000 1.024 150 V CB -0.645 31.178 31.823 0.000 0.000 0.651 150 V HN 0.523 nan 8.190 nan 0.000 0.449 151 K N -0.169 120.229 120.400 -0.003 0.000 2.074 151 K HA -0.284 4.035 4.320 -0.000 0.000 0.209 151 K C 2.213 178.816 176.600 0.004 0.000 1.048 151 K CA 2.164 58.452 56.287 0.001 0.000 0.926 151 K CB -0.187 32.310 32.500 -0.006 0.000 0.713 151 K HN 0.681 nan 8.250 nan 0.000 0.444 152 E N 1.021 121.219 120.200 -0.003 0.000 2.170 152 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 152 E C 1.960 178.565 176.600 0.009 0.000 0.981 152 E CA 0.889 57.289 56.400 0.000 0.000 0.830 152 E CB 0.134 29.829 29.700 -0.009 0.000 0.775 152 E HN 0.128 nan 8.360 nan 0.000 0.470 153 K N 0.406 120.813 120.400 0.012 0.000 2.062 153 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 153 K C 2.123 178.738 176.600 0.024 0.000 1.051 153 K CA 1.029 57.327 56.287 0.018 0.000 0.941 153 K CB -0.173 32.338 32.500 0.018 0.000 0.719 153 K HN 0.168 nan 8.250 nan 0.000 0.440 154 A N 0.886 123.722 122.820 0.026 0.000 1.917 154 A HA -0.032 4.287 4.320 -0.000 0.000 0.219 154 A C 1.516 179.129 177.584 0.049 0.000 1.182 154 A CA 2.036 54.099 52.037 0.043 0.000 0.633 154 A CB -1.392 17.635 19.000 0.044 0.000 0.819 154 A HN 0.647 nan 8.150 nan 0.000 0.448 155 G N -0.592 108.229 108.800 0.035 0.000 2.574 155 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.286 155 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.286 155 G C -0.077 174.847 174.900 0.040 0.000 1.212 155 G CA 0.523 45.642 45.100 0.032 0.000 0.979 155 G HN 0.902 nan 8.290 nan 0.000 0.557 156 D N 1.088 121.510 120.400 0.038 0.000 2.365 156 D HA 0.456 5.096 4.640 -0.000 0.000 0.237 156 D C 1.690 178.023 176.300 0.055 0.000 1.190 156 D CA -0.152 53.870 54.000 0.036 0.000 0.867 156 D CB 0.495 41.307 40.800 0.020 0.000 1.050 156 D HN 0.364 nan 8.370 nan 0.000 0.491 157 L N 3.491 124.760 121.223 0.077 0.000 2.131 157 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 157 L C 2.454 179.360 176.870 0.061 0.000 1.087 157 L CA 0.927 55.850 54.840 0.140 0.000 0.767 157 L CB -0.303 41.881 42.059 0.208 0.000 0.917 157 L HN 0.515 nan 8.230 nan 0.000 0.441 158 A N -0.180 122.639 122.820 -0.001 0.000 1.927 158 A HA -0.343 3.977 4.320 -0.000 0.000 0.220 158 A C 2.242 179.763 177.584 -0.104 0.000 1.185 158 A CA 2.378 54.365 52.037 -0.083 0.000 0.639 158 A CB -0.620 18.348 19.000 -0.053 0.000 0.820 158 A HN 0.558 nan 8.150 nan 0.000 0.451 159 Q N -1.176 118.598 119.800 -0.044 0.000 2.331 159 Q HA -0.013 4.327 4.340 -0.000 0.000 0.203 159 Q C 2.138 178.122 176.000 -0.027 0.000 0.944 159 Q CA 0.616 56.396 55.803 -0.038 0.000 0.892 159 Q CB -0.002 28.730 28.738 -0.011 0.000 0.983 159 Q HN 0.681 nan 8.270 nan 0.000 0.482 160 R N -0.125 120.381 120.500 0.009 0.000 2.073 160 R HA -0.025 4.314 4.340 -0.000 0.000 0.229 160 R C 2.434 178.714 176.300 -0.034 0.000 1.120 160 R CA 1.184 57.331 56.100 0.078 0.000 0.967 160 R CB -0.124 30.312 30.300 0.226 0.000 0.862 160 R HN 0.166 nan 8.270 nan 0.000 0.436 161 R N 0.626 120.914 120.500 -0.354 0.000 2.073 161 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 161 R C 2.257 178.306 176.300 -0.419 0.000 1.134 161 R CA 1.786 57.344 56.100 -0.902 0.000 0.952 161 R CB -0.084 29.417 30.300 -1.331 0.000 0.850 161 R HN 0.039 nan 8.270 nan 0.000 0.433 162 Q N 0.502 120.148 119.800 -0.258 0.000 2.045 162 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 162 Q C 1.811 177.762 176.000 -0.081 0.000 0.991 162 Q CA 2.500 58.217 55.803 -0.143 0.000 0.851 162 Q CB -0.520 28.159 28.738 -0.098 0.000 0.911 162 Q HN 0.443 nan 8.270 nan 0.000 0.418 163 A N -0.499 122.291 122.820 -0.049 0.000 2.024 163 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 163 A C 1.723 179.316 177.584 0.016 0.000 1.164 163 A CA 1.238 53.272 52.037 -0.005 0.000 0.643 163 A CB -0.431 18.580 19.000 0.018 0.000 0.806 163 A HN 0.425 nan 8.150 nan 0.000 0.451 164 L N -1.013 120.220 121.223 0.017 0.000 2.741 164 L HA 0.196 4.536 4.340 -0.000 0.000 0.237 164 L C 2.315 179.220 176.870 0.058 0.000 1.178 164 L CA 0.252 55.138 54.840 0.077 0.000 0.973 164 L CB 0.064 42.241 42.059 0.195 0.000 1.255 164 L HN 0.386 nan 8.230 nan 0.000 0.498 165 A N 0.909 123.731 122.820 0.004 0.000 1.930 165 A HA -0.028 4.291 4.320 -0.000 0.000 0.217 165 A C -0.270 177.338 177.584 0.039 0.000 1.175 165 A CA 1.137 53.179 52.037 0.008 0.000 0.627 165 A CB -1.285 17.700 19.000 -0.026 0.000 0.815 165 A HN 0.262 nan 8.150 nan 0.000 0.443 166 P HA -0.108 nan 4.420 nan 0.000 0.215 166 P C 1.461 178.795 177.300 0.056 0.000 1.153 166 P CA 1.806 64.926 63.100 0.034 0.000 0.853 166 P CB -0.256 31.459 31.700 0.025 0.000 0.788 167 T N -0.398 114.204 114.554 0.079 0.000 2.777 167 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 167 T C 1.770 176.560 174.700 0.151 0.000 1.040 167 T CA 0.945 63.108 62.100 0.104 0.000 1.141 167 T CB -0.879 68.058 68.868 0.115 0.000 0.868 167 T HN 0.052 nan 8.240 nan 0.000 0.444 168 I N 1.194 121.877 120.570 0.188 0.000 2.194 168 I HA -0.250 3.919 4.170 -0.000 0.000 0.246 168 I C 2.776 179.013 176.117 0.200 0.000 1.093 168 I CA 1.343 62.808 61.300 0.276 0.000 1.355 168 I CB -0.383 37.789 38.000 0.286 0.000 1.046 168 I HN 0.220 nan 8.210 nan 0.000 0.413 169 Q N 1.368 121.228 119.800 0.099 0.000 2.083 169 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 169 Q C 2.127 178.128 176.000 0.001 0.000 0.969 169 Q CA 1.622 57.436 55.803 0.019 0.000 0.838 169 Q CB -0.442 28.302 28.738 0.010 0.000 0.900 169 Q HN 0.485 nan 8.270 nan 0.000 0.436 170 L N -0.009 121.236 121.223 0.036 0.000 2.081 170 L HA -0.200 4.139 4.340 -0.000 0.000 0.212 170 L C 2.250 179.150 176.870 0.050 0.000 1.080 170 L CA 1.020 55.879 54.840 0.033 0.000 0.754 170 L CB -0.609 41.474 42.059 0.040 0.000 0.893 170 L HN 0.304 nan 8.230 nan 0.000 0.433 171 L N -0.131 121.156 121.223 0.107 0.000 2.095 171 L HA -0.142 4.198 4.340 -0.000 0.000 0.204 171 L C 2.546 179.453 176.870 0.061 0.000 1.080 171 L CA 1.630 56.578 54.840 0.181 0.000 0.759 171 L CB -0.553 41.713 42.059 0.345 0.000 0.914 171 L HN 0.098 nan 8.230 nan 0.000 0.439 172 K N -0.553 119.720 120.400 -0.212 0.000 2.032 172 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 172 K C 2.074 178.477 176.600 -0.328 0.000 1.048 172 K CA 2.189 58.038 56.287 -0.731 0.000 0.927 172 K CB -0.234 31.625 32.500 -1.069 0.000 0.712 172 K HN 0.513 nan 8.250 nan 0.000 0.441 173 Q N -0.335 119.357 119.800 -0.180 0.000 2.152 173 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 173 Q C 2.039 178.013 176.000 -0.044 0.000 0.985 173 Q CA 1.867 57.612 55.803 -0.096 0.000 0.863 173 Q CB -0.193 28.513 28.738 -0.053 0.000 0.904 173 Q HN 0.477 nan 8.270 nan 0.000 0.422 174 A N 0.125 122.948 122.820 0.005 0.000 1.930 174 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 174 A C 2.066 179.718 177.584 0.114 0.000 1.176 174 A CA 1.451 53.532 52.037 0.073 0.000 0.632 174 A CB -0.099 18.966 19.000 0.108 0.000 0.819 174 A HN 0.326 nan 8.150 nan 0.000 0.445 175 V N -4.714 115.256 119.914 0.093 0.000 3.604 175 V HA 0.242 4.362 4.120 -0.000 0.000 0.277 175 V C 0.591 176.629 176.094 -0.092 0.000 1.399 175 V CA -0.417 61.952 62.300 0.114 0.000 1.034 175 V CB -0.963 31.102 31.823 0.403 0.000 0.824 175 V HN 0.329 nan 8.190 nan 0.000 0.439 176 c N 3.502 122.024 118.600 -0.129 0.000 2.514 176 c HA 0.490 5.060 4.570 -0.000 0.000 0.392 176 c C 0.657 174.607 174.090 -0.233 0.000 1.294 176 c CA -0.574 55.657 56.329 -0.163 0.000 1.957 176 c CB 0.190 42.587 42.510 -0.188 0.000 2.541 176 c HN 0.725 nan 8.230 nan 0.000 0.569 177 Q N 2.728 122.371 119.800 -0.262 0.000 2.297 177 Q HA 0.464 4.804 4.340 -0.000 0.000 0.267 177 Q C 0.152 176.061 176.000 -0.152 0.000 1.006 177 Q CA -0.294 55.358 55.803 -0.252 0.000 0.896 177 Q CB 0.341 28.912 28.738 -0.280 0.000 1.186 177 Q HN 0.812 nan 8.270 nan 0.000 0.392 178 A N 3.466 126.207 122.820 -0.131 0.000 2.589 178 A HA -0.137 4.183 4.320 -0.000 0.000 0.259 178 A C 0.276 177.817 177.584 -0.071 0.000 1.000 178 A CA 0.891 52.875 52.037 -0.089 0.000 0.847 178 A CB -0.755 18.201 19.000 -0.074 0.000 0.885 178 A HN 1.032 nan 8.150 nan 0.000 0.508 179 D N -1.053 119.313 120.400 -0.057 0.000 2.758 179 D HA -0.188 4.452 4.640 -0.000 0.000 0.191 179 D C 0.413 176.692 176.300 -0.035 0.000 1.036 179 D CA 2.386 56.362 54.000 -0.041 0.000 1.030 179 D CB -0.660 40.119 40.800 -0.034 0.000 1.109 179 D HN 0.769 nan 8.370 nan 0.000 0.430 180 K N 0.971 121.343 120.400 -0.047 0.000 2.202 180 K HA 0.388 4.708 4.320 -0.000 0.000 0.264 180 K C -2.310 174.282 176.600 -0.014 0.000 1.010 180 K CA -1.354 54.914 56.287 -0.032 0.000 0.940 180 K CB 0.729 33.200 32.500 -0.048 0.000 0.983 180 K HN -0.050 nan 8.250 nan 0.000 0.475 181 P HA 0.262 nan 4.420 nan 0.000 0.278 181 P C -0.956 176.382 177.300 0.064 0.000 1.258 181 P CA -0.590 62.529 63.100 0.032 0.000 0.811 181 P CB 1.065 32.786 31.700 0.035 0.000 1.063 182 c N 3.109 121.777 118.600 0.113 0.000 3.123 182 c HA 0.271 4.841 4.570 -0.000 0.000 0.284 182 c C -1.160 173.089 174.090 0.265 0.000 1.076 182 c CA -1.385 55.070 56.329 0.210 0.000 1.416 182 c CB 0.296 42.952 42.510 0.244 0.000 1.841 182 c HN 0.503 nan 8.230 nan 0.000 0.501 183 P HA -0.097 nan 4.420 nan 0.000 0.215 183 P C 1.621 178.975 177.300 0.090 0.000 1.157 183 P CA 1.156 64.323 63.100 0.112 0.000 0.863 183 P CB 0.273 32.014 31.700 0.069 0.000 0.787 184 I N -0.731 119.849 120.570 0.018 0.000 2.290 184 I HA -0.265 3.905 4.170 -0.000 0.000 0.253 184 I C 1.808 177.791 176.117 -0.223 0.000 1.112 184 I CA 1.626 62.843 61.300 -0.138 0.000 1.377 184 I CB -0.704 37.130 38.000 -0.276 0.000 1.060 184 I HN -0.228 nan 8.210 nan 0.000 0.428 185 F N -0.182 119.837 119.950 0.115 0.000 2.802 185 F HA -0.028 4.499 4.527 -0.000 0.000 0.300 185 F C 1.909 177.758 175.800 0.082 0.000 1.168 185 F CA 0.386 58.456 58.000 0.116 0.000 1.433 185 F CB -0.315 38.739 39.000 0.090 0.000 1.115 185 F HN 0.124 nan 8.300 nan 0.000 0.582 186 D N -1.005 119.497 120.400 0.169 0.000 2.525 186 D HA -0.015 4.625 4.640 -0.000 0.000 0.248 186 D C 1.170 177.515 176.300 0.075 0.000 1.000 186 D CA 0.849 54.916 54.000 0.112 0.000 0.923 186 D CB -0.602 40.259 40.800 0.100 0.000 1.101 186 D HN 0.091 nan 8.370 nan 0.000 0.493 187 T N 1.661 116.262 114.554 0.078 0.000 2.891 187 T HA 0.126 4.476 4.350 -0.000 0.000 0.296 187 T C -2.499 172.276 174.700 0.124 0.000 1.025 187 T CA -0.942 61.210 62.100 0.087 0.000 1.149 187 T CB 0.919 69.836 68.868 0.083 0.000 1.007 187 T HN -0.177 nan 8.240 nan 0.000 0.528 188 P HA 0.394 nan 4.420 nan 0.000 0.281 188 P C -0.842 176.622 177.300 0.274 0.000 1.281 188 P CA -0.869 62.277 63.100 0.076 0.000 0.811 188 P CB 0.463 32.171 31.700 0.014 0.000 1.154 189 W N 1.433 122.729 121.300 -0.006 0.000 2.335 189 W HA 0.436 5.096 4.660 -0.000 0.000 0.307 189 W C 0.467 176.981 176.519 -0.009 0.000 1.117 189 W CA -0.092 57.247 57.345 -0.010 0.000 1.228 189 W CB 0.048 29.505 29.460 -0.006 0.000 1.240 189 W HN 0.157 nan 8.180 nan 0.000 0.468 190 R N 1.656 122.258 120.500 0.170 0.000 2.744 190 R HA 0.563 4.903 4.340 -0.000 0.000 0.279 190 R C -0.955 175.368 176.300 0.040 0.000 0.977 190 R CA -1.266 54.888 56.100 0.091 0.000 0.906 190 R CB 2.371 32.708 30.300 0.061 0.000 1.197 190 R HN 0.040 nan 8.270 nan 0.000 0.463 191 V N 2.314 122.244 119.914 0.027 0.000 2.521 191 V HA 0.119 4.239 4.120 -0.000 0.000 0.286 191 V C 0.368 176.459 176.094 -0.005 0.000 1.034 191 V CA 0.292 62.592 62.300 0.001 0.000 1.045 191 V CB 0.673 32.498 31.823 0.002 0.000 0.974 191 V HN 0.708 nan 8.190 nan 0.000 0.480 192 E N 3.099 123.288 120.200 -0.019 0.000 2.359 192 E HA 0.659 5.008 4.350 -0.000 0.000 0.266 192 E C -0.974 175.613 176.600 -0.022 0.000 0.920 192 E CA -0.860 55.529 56.400 -0.019 0.000 0.788 192 E CB 2.682 32.368 29.700 -0.023 0.000 1.279 192 E HN 0.693 nan 8.360 nan 0.000 0.438 193 Q N 1.362 121.151 119.800 -0.019 0.000 2.263 193 Q HA 0.279 4.619 4.340 -0.000 0.000 0.262 193 Q C -1.242 174.747 176.000 -0.018 0.000 0.984 193 Q CA -0.475 55.317 55.803 -0.018 0.000 0.813 193 Q CB 1.673 30.403 28.738 -0.012 0.000 1.299 193 Q HN 0.632 nan 8.270 nan 0.000 0.428 194 S N 2.304 117.992 115.700 -0.021 0.000 2.624 194 S HA 0.189 4.659 4.470 -0.000 0.000 0.263 194 S C 0.922 175.512 174.600 -0.016 0.000 1.287 194 S CA -0.279 57.908 58.200 -0.021 0.000 0.990 194 S CB 1.339 64.523 63.200 -0.026 0.000 0.950 194 S HN 0.806 nan 8.310 nan 0.000 0.561 195 K N 1.104 121.494 120.400 -0.016 0.000 2.160 195 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 195 K C 1.966 178.558 176.600 -0.013 0.000 1.047 195 K CA 1.916 58.194 56.287 -0.014 0.000 0.930 195 K CB -0.713 31.778 32.500 -0.014 0.000 0.720 195 K HN 0.754 nan 8.250 nan 0.000 0.450 196 S N -1.595 114.095 115.700 -0.016 0.000 2.603 196 S HA 0.170 4.640 4.470 -0.000 0.000 0.220 196 S C 1.338 175.932 174.600 -0.010 0.000 0.967 196 S CA 0.268 58.459 58.200 -0.015 0.000 0.920 196 S CB -0.002 63.185 63.200 -0.021 0.000 0.773 196 S HN 0.537 nan 8.310 nan 0.000 0.529 197 G N 1.014 109.809 108.800 -0.009 0.000 2.176 197 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 197 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 197 G C -0.074 174.824 174.900 -0.002 0.000 0.979 197 G CA 0.003 45.103 45.100 -0.001 0.000 0.641 197 G HN 0.574 nan 8.290 nan 0.000 0.530 198 K N 1.822 122.214 120.400 -0.014 0.000 2.412 198 K HA 0.413 4.733 4.320 -0.000 0.000 0.281 198 K C 0.837 177.421 176.600 -0.026 0.000 1.027 198 K CA 0.824 57.097 56.287 -0.023 0.000 0.989 198 K CB 0.531 33.010 32.500 -0.036 0.000 0.935 198 K HN 0.398 nan 8.250 nan 0.000 0.475 199 T N -0.192 114.345 114.554 -0.027 0.000 2.829 199 T HA 0.439 4.788 4.350 -0.000 0.000 0.282 199 T C 0.125 174.792 174.700 -0.056 0.000 0.990 199 T CA -0.852 61.228 62.100 -0.033 0.000 1.028 199 T CB 1.387 70.244 68.868 -0.019 0.000 0.951 199 T HN 0.604 nan 8.240 nan 0.000 0.460 200 T N 0.322 114.838 114.554 -0.063 0.000 2.888 200 T HA 0.716 5.066 4.350 -0.000 0.000 0.288 200 T C -0.599 174.043 174.700 -0.097 0.000 1.063 200 T CA -1.132 60.914 62.100 -0.090 0.000 1.010 200 T CB 1.252 70.065 68.868 -0.092 0.000 1.214 200 T HN 0.596 nan 8.240 nan 0.000 0.533 201 I N 2.723 123.205 120.570 -0.148 0.000 2.362 201 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 201 I C 0.919 176.902 176.117 -0.223 0.000 0.994 201 I CA -0.678 60.516 61.300 -0.177 0.000 1.158 201 I CB 1.135 38.982 38.000 -0.256 0.000 1.315 201 I HN 0.994 nan 8.210 nan 0.000 0.451 202 S N 4.008 119.634 115.700 -0.123 0.000 2.549 202 S HA 0.421 4.891 4.470 -0.000 0.000 0.286 202 S C 1.207 175.713 174.600 -0.156 0.000 1.314 202 S CA 0.292 58.439 58.200 -0.088 0.000 1.062 202 S CB 1.185 64.388 63.200 0.005 0.000 0.865 202 S HN 1.236 nan 8.310 nan 0.000 0.498 203 G N 2.526 111.236 108.800 -0.150 0.000 4.039 203 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.220 203 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.220 203 G C 0.687 175.343 174.900 -0.407 0.000 1.391 203 G CA 0.555 45.569 45.100 -0.143 0.000 0.920 203 G HN 1.255 nan 8.290 nan 0.000 0.599 204 L N 1.756 122.376 121.223 -1.005 0.000 2.012 204 L HA 0.089 4.429 4.340 -0.000 0.000 0.210 204 L C 2.853 179.436 176.870 -0.478 0.000 1.073 204 L CA 3.454 57.668 54.840 -1.043 0.000 0.748 204 L CB -0.937 40.189 42.059 -1.555 0.000 0.891 204 L HN 0.477 nan 8.230 nan 0.000 0.431 205 S N -0.809 114.667 115.700 -0.373 0.000 2.353 205 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 205 S C 1.946 176.448 174.600 -0.164 0.000 1.035 205 S CA 1.639 59.708 58.200 -0.219 0.000 1.025 205 S CB -0.706 62.386 63.200 -0.180 0.000 0.902 205 S HN 0.370 nan 8.310 nan 0.000 0.440 206 V N 1.911 121.724 119.914 -0.168 0.000 2.626 206 V HA -0.147 3.973 4.120 -0.000 0.000 0.252 206 V C 2.179 178.204 176.094 -0.115 0.000 1.067 206 V CA 1.474 63.693 62.300 -0.135 0.000 1.081 206 V CB -0.699 31.044 31.823 -0.132 0.000 0.686 206 V HN 0.450 nan 8.190 nan 0.000 0.468 207 M N -0.240 119.280 119.600 -0.134 0.000 2.132 207 M HA -0.135 4.344 4.480 -0.000 0.000 0.263 207 M C 2.381 178.685 176.300 0.006 0.000 1.065 207 M CA 2.028 57.296 55.300 -0.054 0.000 1.122 207 M CB -0.505 32.070 32.600 -0.042 0.000 1.365 207 M HN 0.396 nan 8.290 nan 0.000 0.411 208 A N 0.861 123.659 122.820 -0.037 0.000 1.933 208 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 208 A C 1.689 179.294 177.584 0.035 0.000 1.175 208 A CA 2.107 54.154 52.037 0.016 0.000 0.628 208 A CB -1.184 17.822 19.000 0.010 0.000 0.814 208 A HN 0.640 nan 8.150 nan 0.000 0.444 209 N N -0.703 117.990 118.700 -0.011 0.000 2.149 209 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 209 N C 1.838 177.337 175.510 -0.018 0.000 1.019 209 N CA 1.618 54.651 53.050 -0.028 0.000 0.857 209 N CB -0.265 38.169 38.487 -0.089 0.000 0.997 209 N HN 0.492 nan 8.380 nan 0.000 0.426 210 M N 0.327 119.932 119.600 0.007 0.000 2.099 210 M HA -0.117 4.362 4.480 -0.000 0.000 0.262 210 M C 2.160 178.598 176.300 0.229 0.000 1.067 210 M CA 1.141 56.498 55.300 0.096 0.000 1.124 210 M CB -0.139 32.603 32.600 0.236 0.000 1.353 210 M HN -0.003 nan 8.290 nan 0.000 0.410 211 V N 0.334 120.363 119.914 0.192 0.000 2.287 211 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 211 V C 2.279 178.480 176.094 0.179 0.000 1.053 211 V CA 2.231 64.645 62.300 0.190 0.000 1.027 211 V CB -0.793 31.119 31.823 0.147 0.000 0.646 211 V HN 0.448 nan 8.190 nan 0.000 0.447 212 E N 0.523 120.808 120.200 0.141 0.000 2.085 212 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 212 E C 2.194 178.906 176.600 0.185 0.000 0.994 212 E CA 2.223 58.707 56.400 0.140 0.000 0.801 212 E CB -0.578 29.185 29.700 0.105 0.000 0.743 212 E HN 0.621 nan 8.360 nan 0.000 0.453 213 T N 0.747 115.416 114.554 0.193 0.000 2.777 213 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 213 T C 1.885 176.828 174.700 0.406 0.000 1.040 213 T CA 1.244 63.510 62.100 0.278 0.000 1.141 213 T CB -0.251 68.762 68.868 0.243 0.000 0.868 213 T HN 0.122 nan 8.240 nan 0.000 0.444 214 L N 0.850 122.311 121.223 0.398 0.000 2.046 214 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 214 L C 2.973 180.029 176.870 0.309 0.000 1.077 214 L CA 1.217 56.266 54.840 0.347 0.000 0.747 214 L CB -0.541 41.699 42.059 0.300 0.000 0.896 214 L HN 0.129 nan 8.230 nan 0.000 0.432 215 R N 0.983 121.648 120.500 0.275 0.000 2.115 215 R HA -0.130 4.209 4.340 -0.000 0.000 0.230 215 R C 2.103 178.604 176.300 0.335 0.000 1.111 215 R CA 1.399 57.665 56.100 0.277 0.000 0.976 215 R CB -0.366 30.073 30.300 0.231 0.000 0.870 215 R HN 0.375 nan 8.270 nan 0.000 0.445 216 L N -0.264 121.161 121.223 0.336 0.000 2.044 216 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 216 L C 2.660 179.772 176.870 0.404 0.000 1.075 216 L CA 1.392 56.463 54.840 0.385 0.000 0.747 216 L CB -0.875 41.417 42.059 0.390 0.000 0.903 216 L HN 0.337 nan 8.230 nan 0.000 0.435 217 G N -0.525 108.507 108.800 0.386 0.000 2.469 217 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 217 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 217 G C 1.391 176.239 174.900 -0.085 0.000 1.150 217 G CA 0.536 45.621 45.100 -0.026 0.000 0.763 217 G HN 0.488 nan 8.290 nan 0.000 0.561 218 W N 1.657 122.930 121.300 -0.045 0.000 2.315 218 W HA -0.186 4.474 4.660 -0.000 0.000 0.323 218 W C 2.520 179.000 176.519 -0.065 0.000 1.233 218 W CA 2.035 59.347 57.345 -0.054 0.000 1.267 218 W CB -0.596 28.868 29.460 0.006 0.000 1.160 218 W HN 0.309 nan 8.180 nan 0.000 0.474 219 S N 0.359 116.171 115.700 0.187 0.000 2.399 219 S HA -0.275 4.195 4.470 -0.000 0.000 0.231 219 S C 1.380 175.892 174.600 -0.146 0.000 1.022 219 S CA 1.899 60.174 58.200 0.125 0.000 0.983 219 S CB -0.490 62.869 63.200 0.266 0.000 0.803 219 S HN 0.369 nan 8.310 nan 0.000 0.480 220 E N 2.028 122.079 120.200 -0.248 0.000 2.409 220 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 220 E C 0.615 176.579 176.600 -1.060 0.000 1.024 220 E CA 0.559 56.614 56.400 -0.575 0.000 0.861 220 E CB -0.344 29.139 29.700 -0.363 0.000 0.788 220 E HN 0.328 nan 8.360 nan 0.000 0.521 221 N N -0.422 117.820 118.700 -0.763 0.000 2.747 221 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 221 N C -1.090 174.101 175.510 -0.532 0.000 1.107 221 N CA 0.642 53.313 53.050 -0.631 0.000 0.707 221 N CB -1.687 36.526 38.487 -0.457 0.000 1.054 221 N HN 0.305 nan 8.380 nan 0.000 0.555 222 L N -0.029 120.851 121.223 -0.573 0.000 2.506 222 L HA 0.136 4.476 4.340 -0.000 0.000 0.281 222 L C -1.213 175.414 176.870 -0.405 0.000 1.228 222 L CA -1.103 53.422 54.840 -0.524 0.000 0.850 222 L CB -0.040 41.639 42.059 -0.632 0.000 1.110 222 L HN 0.114 nan 8.230 nan 0.000 0.496 223 P HA -0.042 nan 4.420 nan 0.000 0.265 223 P C 0.841 177.998 177.300 -0.238 0.000 1.187 223 P CA 0.039 62.991 63.100 -0.247 0.000 0.766 223 P CB 0.471 32.052 31.700 -0.199 0.000 0.820 224 L N 1.811 122.927 121.223 -0.177 0.000 2.043 224 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 224 L C 2.209 178.997 176.870 -0.137 0.000 1.075 224 L CA 2.383 57.153 54.840 -0.116 0.000 0.752 224 L CB -1.109 40.921 42.059 -0.049 0.000 0.891 224 L HN 0.468 nan 8.230 nan 0.000 0.432 225 S N -1.229 114.389 115.700 -0.138 0.000 2.474 225 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 225 S C 1.652 176.090 174.600 -0.270 0.000 0.997 225 S CA 0.796 58.910 58.200 -0.143 0.000 0.949 225 S CB -0.146 62.997 63.200 -0.095 0.000 0.766 225 S HN 0.542 nan 8.310 nan 0.000 0.517 226 Q N -0.485 119.123 119.800 -0.320 0.000 2.247 226 Q HA 0.377 4.717 4.340 -0.000 0.000 0.211 226 Q C 1.444 177.131 176.000 -0.521 0.000 0.861 226 Q CA -0.126 55.425 55.803 -0.420 0.000 0.949 226 Q CB 0.374 28.909 28.738 -0.339 0.000 1.115 226 Q HN 0.518 nan 8.270 nan 0.000 0.507 227 L N -0.613 120.348 121.223 -0.437 0.000 2.187 227 L HA 0.360 4.700 4.340 -0.000 0.000 0.197 227 L C 0.445 177.042 176.870 -0.456 0.000 1.090 227 L CA 1.571 56.204 54.840 -0.346 0.000 0.781 227 L CB 0.055 42.009 42.059 -0.174 0.000 0.956 227 L HN -0.097 nan 8.230 nan 0.000 0.463 228 A N -1.829 120.779 122.820 -0.352 0.000 3.308 228 A HA 0.321 4.640 4.320 -0.000 0.000 0.275 228 A C -0.760 176.834 177.584 0.018 0.000 0.950 228 A CA -0.477 51.399 52.037 -0.268 0.000 0.987 228 A CB -0.788 18.216 19.000 0.007 0.000 1.146 228 A HN 0.454 nan 8.150 nan 0.000 0.488 229 W N 0.225 121.430 121.300 -0.159 0.000 7.062 229 W HA -0.294 4.366 4.660 -0.000 0.000 0.409 229 W C 1.232 177.704 176.519 -0.077 0.000 1.561 229 W CA 1.412 58.687 57.345 -0.117 0.000 1.149 229 W CB -2.035 27.348 29.460 -0.129 0.000 2.750 229 W HN 1.670 nan 8.180 nan 0.000 1.626 230 G N -0.994 107.831 108.800 0.042 0.000 2.212 230 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.266 230 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.266 230 G C 1.279 176.212 174.900 0.056 0.000 0.978 230 G CA 0.840 45.963 45.100 0.038 0.000 0.632 230 G HN 0.321 nan 8.290 nan 0.000 0.537 231 K N -0.264 120.185 120.400 0.081 0.000 2.366 231 K HA 0.261 4.581 4.320 -0.000 0.000 0.198 231 K C 1.105 177.739 176.600 0.056 0.000 1.044 231 K CA 0.485 56.813 56.287 0.068 0.000 0.973 231 K CB 0.493 33.044 32.500 0.084 0.000 0.767 231 K HN 0.523 nan 8.250 nan 0.000 0.475 232 I N 0.451 121.063 120.570 0.070 0.000 2.389 232 I HA 0.140 4.310 4.170 -0.000 0.000 0.288 232 I C 0.315 176.524 176.117 0.153 0.000 0.999 232 I CA -0.314 61.032 61.300 0.077 0.000 1.129 232 I CB 1.915 39.966 38.000 0.086 0.000 1.288 232 I HN -0.102 nan 8.210 nan 0.000 0.444 233 A N 5.663 128.562 122.820 0.131 0.000 2.548 233 A HA 0.274 4.593 4.320 -0.000 0.000 0.236 233 A C 0.155 177.896 177.584 0.261 0.000 1.246 233 A CA -0.049 52.120 52.037 0.220 0.000 0.993 233 A CB 0.455 19.522 19.000 0.111 0.000 1.209 233 A HN 0.704 nan 8.150 nan 0.000 0.570 234 Q N -2.241 117.563 119.800 0.007 0.000 2.484 234 Q HA 0.790 5.130 4.340 -0.000 0.000 0.285 234 Q C 0.591 176.176 176.000 -0.692 0.000 1.097 234 Q CA -0.444 55.281 55.803 -0.131 0.000 0.802 234 Q CB 1.831 30.547 28.738 -0.037 0.000 1.444 234 Q HN 0.127 nan 8.270 nan 0.000 0.429 235 A N 1.172 123.581 122.820 -0.684 0.000 1.933 235 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 235 A C 2.121 179.331 177.584 -0.622 0.000 1.175 235 A CA 2.239 53.684 52.037 -0.987 0.000 0.628 235 A CB -1.053 17.694 19.000 -0.422 0.000 0.814 235 A HN 0.878 nan 8.150 nan 0.000 0.444 236 S N -0.326 115.162 115.700 -0.355 0.000 2.419 236 S HA -0.253 4.216 4.470 -0.000 0.000 0.233 236 S C 1.832 176.303 174.600 -0.214 0.000 1.016 236 S CA 1.430 59.493 58.200 -0.229 0.000 0.974 236 S CB -0.547 62.571 63.200 -0.138 0.000 0.786 236 S HN 0.699 nan 8.310 nan 0.000 0.492 237 Q N 0.326 119.977 119.800 -0.248 0.000 2.167 237 Q HA 0.029 4.369 4.340 -0.000 0.000 0.202 237 Q C 2.017 177.912 176.000 -0.175 0.000 0.970 237 Q CA 1.241 56.939 55.803 -0.175 0.000 0.855 237 Q CB -0.296 28.363 28.738 -0.132 0.000 0.911 237 Q HN 0.505 nan 8.270 nan 0.000 0.438 238 I N 0.453 120.841 120.570 -0.304 0.000 2.202 238 I HA -0.195 3.974 4.170 -0.000 0.000 0.242 238 I C 2.074 178.109 176.117 -0.138 0.000 1.091 238 I CA 1.432 62.605 61.300 -0.211 0.000 1.368 238 I CB -1.433 36.362 38.000 -0.341 0.000 1.058 238 I HN 0.180 nan 8.210 nan 0.000 0.410 239 T N 1.475 115.910 114.554 -0.200 0.000 2.822 239 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 239 T C 1.867 176.535 174.700 -0.053 0.000 1.064 239 T CA 1.515 63.538 62.100 -0.127 0.000 1.131 239 T CB -0.208 68.561 68.868 -0.165 0.000 0.858 239 T HN 0.474 nan 8.240 nan 0.000 0.483 240 A N 0.535 123.323 122.820 -0.053 0.000 2.072 240 A HA 0.268 4.588 4.320 -0.000 0.000 0.216 240 A C 2.073 179.671 177.584 0.023 0.000 1.156 240 A CA 0.501 52.529 52.037 -0.014 0.000 0.701 240 A CB -0.373 18.613 19.000 -0.023 0.000 0.816 240 A HN 0.496 nan 8.150 nan 0.000 0.458 241 L N -0.518 120.724 121.223 0.030 0.000 2.418 241 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 241 L C 1.991 178.911 176.870 0.082 0.000 1.125 241 L CA 0.119 55.004 54.840 0.076 0.000 0.835 241 L CB -0.380 41.737 42.059 0.097 0.000 0.953 241 L HN 0.317 nan 8.230 nan 0.000 0.454 242 L N 0.323 121.585 121.223 0.065 0.000 2.127 242 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 242 L C -0.280 176.628 176.870 0.063 0.000 1.089 242 L CA 1.199 56.083 54.840 0.073 0.000 0.757 242 L CB -1.661 40.454 42.059 0.093 0.000 0.899 242 L HN 0.242 nan 8.230 nan 0.000 0.434 243 P HA -0.163 nan 4.420 nan 0.000 0.221 243 P C 1.814 179.163 177.300 0.082 0.000 1.145 243 P CA 1.207 64.347 63.100 0.067 0.000 0.795 243 P CB 0.094 31.838 31.700 0.073 0.000 0.775 244 L N -1.682 119.601 121.223 0.099 0.000 2.093 244 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 244 L C 2.255 179.162 176.870 0.061 0.000 1.085 244 L CA 0.926 55.826 54.840 0.099 0.000 0.755 244 L CB -0.910 41.223 42.059 0.123 0.000 0.904 244 L HN 0.006 nan 8.230 nan 0.000 0.435 245 L N -0.759 120.500 121.223 0.059 0.000 2.056 245 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 245 L C 2.410 179.304 176.870 0.040 0.000 1.078 245 L CA 1.986 56.855 54.840 0.049 0.000 0.749 245 L CB -0.787 41.279 42.059 0.011 0.000 0.901 245 L HN 0.122 nan 8.230 nan 0.000 0.433 246 T N -0.745 113.809 114.554 0.002 0.000 2.746 246 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 246 T C 1.722 176.457 174.700 0.059 0.000 1.039 246 T CA 1.583 63.678 62.100 -0.008 0.000 1.142 246 T CB -0.114 68.742 68.868 -0.020 0.000 0.866 246 T HN 0.383 nan 8.240 nan 0.000 0.444 247 E N 1.576 121.809 120.200 0.055 0.000 2.058 247 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 247 E C 2.120 178.735 176.600 0.026 0.000 0.997 247 E CA 1.185 57.614 56.400 0.049 0.000 0.801 247 E CB -0.330 29.411 29.700 0.068 0.000 0.746 247 E HN 0.450 nan 8.360 nan 0.000 0.450 248 N N -1.309 117.405 118.700 0.022 0.000 2.309 248 N HA -0.168 4.572 4.740 -0.000 0.000 0.182 248 N C 1.368 176.897 175.510 0.032 0.000 1.018 248 N CA 0.762 53.803 53.050 -0.016 0.000 0.876 248 N CB -0.048 38.421 38.487 -0.029 0.000 0.972 248 N HN 0.208 nan 8.380 nan 0.000 0.434 249 Y N 1.768 122.025 120.300 -0.071 0.000 2.163 249 Y HA -0.125 4.425 4.550 -0.000 0.000 0.288 249 Y C 2.156 178.013 175.900 -0.072 0.000 1.136 249 Y CA 1.090 59.146 58.100 -0.073 0.000 1.147 249 Y CB -0.530 37.877 38.460 -0.087 0.000 0.987 249 Y HN 0.049 nan 8.280 nan 0.000 0.509 250 D N -0.106 120.339 120.400 0.075 0.000 2.158 250 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 250 D C 1.392 177.688 176.300 -0.007 0.000 0.995 250 D CA 1.469 55.479 54.000 0.018 0.000 0.846 250 D CB -0.256 40.555 40.800 0.019 0.000 0.941 250 D HN 0.316 nan 8.370 nan 0.000 0.456 251 L N -0.261 120.949 121.223 -0.023 0.000 2.741 251 L HA 0.196 4.535 4.340 -0.000 0.000 0.237 251 L C 1.263 178.093 176.870 -0.066 0.000 1.178 251 L CA -0.146 54.673 54.840 -0.035 0.000 0.973 251 L CB 0.113 42.151 42.059 -0.035 0.000 1.255 251 L HN -0.015 nan 8.230 nan 0.000 0.498 252 S N -2.132 113.506 115.700 -0.103 0.000 4.163 252 S HA 0.054 4.524 4.470 -0.000 0.000 0.164 252 S C 1.146 175.658 174.600 -0.147 0.000 0.896 252 S CA -0.072 58.048 58.200 -0.134 0.000 1.125 252 S CB 0.007 63.090 63.200 -0.196 0.000 1.698 252 S HN 0.178 nan 8.310 nan 0.000 0.817 253 N N 2.343 120.890 118.700 -0.255 0.000 2.309 253 N HA 0.053 4.793 4.740 -0.000 0.000 0.182 253 N C 0.129 175.572 175.510 -0.111 0.000 1.018 253 N CA 1.323 54.247 53.050 -0.211 0.000 0.876 253 N CB -0.066 38.219 38.487 -0.337 0.000 0.972 253 N HN 0.454 nan 8.380 nan 0.000 0.434 254 D N 0.232 120.582 120.400 -0.084 0.000 2.388 254 D HA 0.082 4.722 4.640 -0.000 0.000 0.221 254 D C -0.464 175.819 176.300 -0.028 0.000 1.133 254 D CA 0.070 54.043 54.000 -0.046 0.000 0.831 254 D CB 0.520 41.299 40.800 -0.035 0.000 0.962 254 D HN -0.028 nan 8.370 nan 0.000 0.502 255 V N 2.352 122.251 119.914 -0.024 0.000 2.470 255 V HA -0.061 4.059 4.120 -0.000 0.000 0.276 255 V C 1.748 177.859 176.094 0.027 0.000 1.040 255 V CA -0.259 62.048 62.300 0.012 0.000 1.008 255 V CB 1.229 33.070 31.823 0.029 0.000 0.990 255 V HN 0.053 nan 8.190 nan 0.000 0.477 256 L N 6.018 127.265 121.223 0.041 0.000 1.991 256 L HA -0.240 4.100 4.340 -0.000 0.000 0.221 256 L C 2.062 178.965 176.870 0.056 0.000 1.079 256 L CA 2.574 57.440 54.840 0.042 0.000 0.778 256 L CB -1.009 41.081 42.059 0.052 0.000 0.893 256 L HN 0.780 nan 8.230 nan 0.000 0.437 257 Y N 0.088 120.381 120.300 -0.010 0.000 2.139 257 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 257 Y C 2.379 178.272 175.900 -0.012 0.000 1.179 257 Y CA 2.631 60.725 58.100 -0.009 0.000 1.161 257 Y CB -0.894 37.561 38.460 -0.009 0.000 0.970 257 Y HN 0.331 nan 8.280 nan 0.000 0.511 258 T N 0.602 115.085 114.554 -0.118 0.000 2.737 258 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 258 T C 2.150 176.732 174.700 -0.196 0.000 1.038 258 T CA 1.477 63.461 62.100 -0.193 0.000 1.144 258 T CB -0.835 68.008 68.868 -0.042 0.000 0.866 258 T HN 0.488 nan 8.240 nan 0.000 0.434 259 A N 1.333 124.082 122.820 -0.118 0.000 1.972 259 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 259 A C 2.310 179.828 177.584 -0.110 0.000 1.169 259 A CA 1.363 53.347 52.037 -0.087 0.000 0.635 259 A CB -0.556 18.415 19.000 -0.047 0.000 0.810 259 A HN 0.534 nan 8.150 nan 0.000 0.446 260 Q N -0.618 119.091 119.800 -0.151 0.000 2.049 260 Q HA -0.107 4.232 4.340 -0.000 0.000 0.198 260 Q C 1.956 177.843 176.000 -0.189 0.000 0.971 260 Q CA 1.159 56.878 55.803 -0.140 0.000 0.833 260 Q CB -0.141 28.528 28.738 -0.114 0.000 0.896 260 Q HN 0.417 nan 8.270 nan 0.000 0.434 261 K N 0.695 120.893 120.400 -0.337 0.000 2.057 261 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 261 K C 1.866 178.371 176.600 -0.158 0.000 1.050 261 K CA 1.198 57.317 56.287 -0.281 0.000 0.935 261 K CB -0.069 32.160 32.500 -0.452 0.000 0.715 261 K HN 0.145 nan 8.250 nan 0.000 0.439 262 R N -0.892 119.521 120.500 -0.145 0.000 2.312 262 R HA 0.080 4.420 4.340 -0.000 0.000 0.205 262 R C 1.738 178.016 176.300 -0.038 0.000 0.904 262 R CA 0.504 56.563 56.100 -0.069 0.000 1.052 262 R CB 0.551 30.816 30.300 -0.059 0.000 1.014 262 R HN 0.215 nan 8.270 nan 0.000 0.503 263 G N -1.024 107.746 108.800 -0.050 0.000 2.815 263 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.215 263 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.215 263 G C 1.072 175.954 174.900 -0.030 0.000 1.054 263 G CA -0.187 44.902 45.100 -0.019 0.000 0.832 263 G HN 0.046 nan 8.290 nan 0.000 0.557 264 S N 0.474 116.143 115.700 -0.052 0.000 2.387 264 S HA -0.169 4.301 4.470 -0.000 0.000 0.230 264 S C 2.358 176.924 174.600 -0.056 0.000 1.035 264 S CA 1.380 59.550 58.200 -0.051 0.000 1.014 264 S CB -0.270 62.897 63.200 -0.056 0.000 0.836 264 S HN 0.204 nan 8.310 nan 0.000 0.466 265 V N 1.270 121.142 119.914 -0.070 0.000 2.490 265 V HA -0.082 4.037 4.120 -0.000 0.000 0.250 265 V C 1.905 177.938 176.094 -0.101 0.000 1.061 265 V CA 1.505 63.747 62.300 -0.098 0.000 1.064 265 V CB -0.200 31.541 31.823 -0.136 0.000 0.670 265 V HN 0.440 nan 8.190 nan 0.000 0.461 266 L N -0.634 120.546 121.223 -0.072 0.000 2.127 266 L HA 0.116 4.456 4.340 -0.000 0.000 0.203 266 L C 2.103 178.963 176.870 -0.017 0.000 1.080 266 L CA 1.970 56.779 54.840 -0.051 0.000 0.768 266 L CB -0.748 41.321 42.059 0.016 0.000 0.924 266 L HN 0.341 nan 8.230 nan 0.000 0.444 267 L N 0.454 121.670 121.223 -0.011 0.000 2.012 267 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 267 L C 2.254 179.106 176.870 -0.031 0.000 1.073 267 L CA 2.332 57.164 54.840 -0.013 0.000 0.748 267 L CB -1.183 40.864 42.059 -0.020 0.000 0.891 267 L HN 0.574 nan 8.230 nan 0.000 0.431 268 N N -0.527 118.148 118.700 -0.042 0.000 2.166 268 N HA -0.143 4.596 4.740 -0.000 0.000 0.186 268 N C 1.783 177.268 175.510 -0.043 0.000 1.019 268 N CA 1.443 54.466 53.050 -0.045 0.000 0.856 268 N CB -0.224 38.233 38.487 -0.050 0.000 0.993 268 N HN 0.471 nan 8.380 nan 0.000 0.426 269 A N 0.181 122.971 122.820 -0.051 0.000 1.972 269 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 269 A C 2.222 179.795 177.584 -0.019 0.000 1.169 269 A CA 1.286 53.294 52.037 -0.049 0.000 0.635 269 A CB -0.488 18.467 19.000 -0.076 0.000 0.810 269 A HN 0.408 nan 8.150 nan 0.000 0.446 270 M N -0.670 118.926 119.600 -0.007 0.000 2.081 270 M HA -0.020 4.460 4.480 -0.000 0.000 0.261 270 M C 2.122 178.423 176.300 0.002 0.000 1.075 270 M CA 1.273 56.581 55.300 0.013 0.000 1.133 270 M CB -0.531 32.083 32.600 0.024 0.000 1.330 270 M HN 0.343 nan 8.290 nan 0.000 0.414 271 L N 0.133 121.341 121.223 -0.024 0.000 2.013 271 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 271 L C 2.038 178.911 176.870 0.006 0.000 1.073 271 L CA 1.220 56.039 54.840 -0.036 0.000 0.753 271 L CB -1.164 40.855 42.059 -0.068 0.000 0.890 271 L HN 0.336 nan 8.230 nan 0.000 0.432 272 D N 0.219 120.619 120.400 -0.000 0.000 2.144 272 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 272 D C 2.145 178.460 176.300 0.025 0.000 0.984 272 D CA 1.536 55.543 54.000 0.012 0.000 0.834 272 D CB -0.349 40.444 40.800 -0.011 0.000 0.955 272 D HN 0.397 nan 8.370 nan 0.000 0.465 273 G N 0.310 109.122 108.800 0.022 0.000 2.471 273 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 273 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 273 G C 1.548 176.480 174.900 0.053 0.000 1.125 273 G CA 0.277 45.395 45.100 0.029 0.000 0.775 273 G HN 0.294 nan 8.290 nan 0.000 0.548 274 V N -0.254 119.709 119.914 0.082 0.000 3.650 274 V HA 0.299 4.418 4.120 -0.000 0.000 0.271 274 V C 1.046 177.266 176.094 0.209 0.000 1.281 274 V CA 0.011 62.387 62.300 0.127 0.000 1.120 274 V CB -0.294 31.608 31.823 0.133 0.000 0.856 274 V HN 0.179 nan 8.190 nan 0.000 0.443 275 K N 1.769 122.287 120.400 0.197 0.000 2.355 275 K HA 0.224 4.543 4.320 -0.000 0.000 0.270 275 K C -2.366 174.245 176.600 0.020 0.000 1.003 275 K CA -1.313 55.089 56.287 0.192 0.000 0.957 275 K CB 0.226 32.817 32.500 0.153 0.000 0.939 275 K HN 0.176 nan 8.250 nan 0.000 0.482 276 P HA -0.033 nan 4.420 nan 0.000 0.269 276 P C -0.784 176.491 177.300 -0.043 0.000 1.215 276 P CA 0.305 63.353 63.100 -0.087 0.000 0.780 276 P CB 0.496 32.115 31.700 -0.134 0.000 0.898 277 E N -2.743 117.433 120.200 -0.041 0.000 3.763 277 E HA -0.199 4.151 4.350 -0.000 0.000 0.319 277 E C 0.213 176.795 176.600 -0.030 0.000 0.804 277 E CA 1.115 57.495 56.400 -0.033 0.000 1.196 277 E CB -2.458 27.224 29.700 -0.029 0.000 1.607 277 E HN 0.628 nan 8.360 nan 0.000 0.431 278 A N 0.762 123.567 122.820 -0.025 0.000 2.406 278 A HA 0.469 4.789 4.320 -0.000 0.000 0.243 278 A C 0.543 178.099 177.584 -0.046 0.000 1.082 278 A CA 0.709 52.731 52.037 -0.026 0.000 0.786 278 A CB 0.847 19.840 19.000 -0.011 0.000 1.029 278 A HN 0.249 nan 8.150 nan 0.000 0.495 279 S N 1.879 117.542 115.700 -0.062 0.000 2.519 279 S HA 0.683 5.153 4.470 -0.000 0.000 0.309 279 S C -2.473 172.046 174.600 -0.135 0.000 1.100 279 S CA -1.358 56.786 58.200 -0.094 0.000 1.059 279 S CB 1.065 64.210 63.200 -0.092 0.000 1.008 279 S HN 0.658 nan 8.310 nan 0.000 0.478 280 P HA 0.275 nan 4.420 nan 0.000 0.276 280 P C -1.030 176.208 177.300 -0.103 0.000 1.261 280 P CA -0.594 62.397 63.100 -0.181 0.000 0.800 280 P CB 0.278 31.799 31.700 -0.298 0.000 1.066 281 N N 0.386 119.038 118.700 -0.080 0.000 2.555 281 N HA 0.319 5.059 4.740 -0.000 0.000 0.244 281 N C -0.575 174.917 175.510 -0.030 0.000 1.114 281 N CA -0.445 52.576 53.050 -0.048 0.000 0.963 281 N CB -0.444 38.015 38.487 -0.045 0.000 1.276 281 N HN 0.231 nan 8.380 nan 0.000 0.510 282 V N 1.289 121.199 119.914 -0.006 0.000 2.914 282 V HA 0.596 4.716 4.120 -0.000 0.000 0.314 282 V C 1.051 177.175 176.094 0.049 0.000 1.084 282 V CA -0.982 61.337 62.300 0.032 0.000 0.963 282 V CB 2.081 33.945 31.823 0.068 0.000 1.025 282 V HN 0.310 nan 8.190 nan 0.000 0.432 283 R N 0.570 121.112 120.500 0.069 0.000 2.148 283 R HA 0.074 4.414 4.340 -0.000 0.000 0.223 283 R C -0.106 176.271 176.300 0.129 0.000 1.088 283 R CA 0.973 57.109 56.100 0.059 0.000 0.985 283 R CB -0.160 30.171 30.300 0.053 0.000 0.880 283 R HN 0.872 nan 8.270 nan 0.000 0.451 284 W N 0.802 122.079 121.300 -0.038 0.000 2.802 284 W HA 0.329 4.988 4.660 -0.000 0.000 0.331 284 W C -1.722 174.822 176.519 0.041 0.000 1.021 284 W CA -2.330 54.991 57.345 -0.039 0.000 1.259 284 W CB 0.429 29.873 29.460 -0.027 0.000 1.323 284 W HN -0.193 nan 8.180 nan 0.000 0.432 285 L N 8.063 129.475 121.223 0.316 0.000 2.268 285 L HA 0.469 4.809 4.340 -0.000 0.000 0.289 285 L C -1.111 175.851 176.870 0.153 0.000 1.064 285 L CA -0.459 54.486 54.840 0.176 0.000 0.824 285 L CB 0.580 42.735 42.059 0.160 0.000 1.202 285 L HN 0.361 nan 8.230 nan 0.000 0.433 286 L N 6.634 127.819 121.223 -0.063 0.000 2.280 286 L HA 0.572 4.912 4.340 -0.000 0.000 0.287 286 L C -1.272 175.609 176.870 0.019 0.000 1.023 286 L CA -0.115 54.690 54.840 -0.058 0.000 0.819 286 L CB 1.029 42.856 42.059 -0.387 0.000 1.212 286 L HN 0.533 nan 8.230 nan 0.000 0.420 287 L N 5.906 127.190 121.223 0.102 0.000 2.329 287 L HA 0.687 5.027 4.340 -0.000 0.000 0.279 287 L C -0.858 176.030 176.870 0.031 0.000 1.014 287 L CA -0.958 53.975 54.840 0.154 0.000 0.814 287 L CB 2.010 44.246 42.059 0.296 0.000 1.257 287 L HN 0.276 nan 8.230 nan 0.000 0.424 288 V N 2.471 122.321 119.914 -0.106 0.000 2.409 288 V HA 0.801 4.921 4.120 -0.000 0.000 0.290 288 V C 0.097 175.862 176.094 -0.550 0.000 1.017 288 V CA -0.073 62.087 62.300 -0.234 0.000 0.841 288 V CB 1.081 32.795 31.823 -0.182 0.000 1.003 288 V HN 1.022 nan 8.190 nan 0.000 0.426 289 A N 4.145 126.604 122.820 -0.602 0.000 3.785 289 A HA 0.817 5.137 4.320 -0.000 0.000 0.171 289 A C -0.618 176.492 177.584 -0.791 0.000 0.708 289 A CA -0.363 51.079 52.037 -0.991 0.000 0.959 289 A CB 1.121 19.480 19.000 -1.069 0.000 1.828 289 A HN 0.699 nan 8.150 nan 0.000 0.804 290 H N -0.168 118.833 119.070 -0.115 0.000 2.797 290 H HA 0.297 4.853 4.556 -0.000 0.000 0.362 290 H C -0.175 175.187 175.328 0.058 0.000 1.183 290 H CA 0.213 56.250 56.048 -0.019 0.000 1.197 290 H CB 1.221 30.977 29.762 -0.011 0.000 1.835 290 H HN 0.731 nan 8.280 nan 0.000 0.567 291 D N -0.333 120.205 120.400 0.229 0.000 2.144 291 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 291 D C 1.634 178.095 176.300 0.268 0.000 0.984 291 D CA 1.965 56.111 54.000 0.243 0.000 0.834 291 D CB -0.839 40.121 40.800 0.267 0.000 0.955 291 D HN 0.625 nan 8.370 nan 0.000 0.465 292 T N -1.195 113.483 114.554 0.207 0.000 2.759 292 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 292 T C 1.639 176.409 174.700 0.116 0.000 1.042 292 T CA 1.679 63.833 62.100 0.090 0.000 1.140 292 T CB -0.931 67.936 68.868 -0.003 0.000 0.864 292 T HN 0.246 nan 8.240 nan 0.000 0.455 293 N N 1.392 120.194 118.700 0.171 0.000 2.120 293 N HA 0.106 4.846 4.740 -0.000 0.000 0.188 293 N C 1.830 177.437 175.510 0.162 0.000 1.024 293 N CA 1.224 54.381 53.050 0.178 0.000 0.852 293 N CB -0.418 38.210 38.487 0.235 0.000 1.003 293 N HN 0.361 nan 8.380 nan 0.000 0.424 294 I N 0.605 121.282 120.570 0.178 0.000 2.439 294 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 294 I C 2.284 178.499 176.117 0.163 0.000 1.139 294 I CA 0.512 61.931 61.300 0.199 0.000 1.438 294 I CB -0.190 37.960 38.000 0.250 0.000 1.085 294 I HN 0.181 nan 8.210 nan 0.000 0.427 295 A N 0.537 123.447 122.820 0.149 0.000 1.898 295 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 295 A C 2.339 179.941 177.584 0.030 0.000 1.181 295 A CA 1.479 53.569 52.037 0.089 0.000 0.620 295 A CB -0.476 18.657 19.000 0.221 0.000 0.819 295 A HN 0.309 nan 8.150 nan 0.000 0.442 296 M N -0.882 118.742 119.600 0.041 0.000 2.132 296 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 296 M C 2.097 178.412 176.300 0.024 0.000 1.065 296 M CA 1.189 56.496 55.300 0.011 0.000 1.122 296 M CB -0.362 32.241 32.600 0.004 0.000 1.365 296 M HN 0.241 nan 8.290 nan 0.000 0.411 297 V N 1.099 121.050 119.914 0.062 0.000 2.343 297 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 297 V C 2.358 178.501 176.094 0.082 0.000 1.051 297 V CA 2.290 64.633 62.300 0.072 0.000 1.036 297 V CB -0.823 31.066 31.823 0.109 0.000 0.654 297 V HN 0.538 nan 8.190 nan 0.000 0.451 298 R N 0.053 120.612 120.500 0.098 0.000 2.148 298 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 298 R C 1.947 178.268 176.300 0.035 0.000 1.088 298 R CA 1.690 57.863 56.100 0.122 0.000 0.985 298 R CB -1.539 28.773 30.300 0.021 0.000 0.880 298 R HN 0.353 nan 8.270 nan 0.000 0.451 299 T N 1.519 116.061 114.554 -0.019 0.000 2.777 299 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 299 T C 1.675 176.384 174.700 0.015 0.000 1.040 299 T CA 1.372 63.461 62.100 -0.019 0.000 1.141 299 T CB -0.183 68.665 68.868 -0.033 0.000 0.868 299 T HN 0.116 nan 8.240 nan 0.000 0.444 300 L N 0.408 121.639 121.223 0.012 0.000 2.083 300 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 300 L C 2.557 179.435 176.870 0.013 0.000 1.083 300 L CA 1.273 56.117 54.840 0.008 0.000 0.752 300 L CB -0.623 41.432 42.059 -0.007 0.000 0.899 300 L HN 0.324 nan 8.230 nan 0.000 0.433 301 M N -0.878 118.735 119.600 0.023 0.000 2.460 301 M HA -0.150 4.329 4.480 -0.000 0.000 0.263 301 M C 0.677 177.039 176.300 0.104 0.000 1.071 301 M CA 0.792 56.090 55.300 -0.004 0.000 1.096 301 M CB -0.478 32.113 32.600 -0.015 0.000 1.408 301 M HN 0.350 nan 8.290 nan 0.000 0.463 302 N N 0.794 119.574 118.700 0.133 0.000 2.725 302 N HA -0.209 4.530 4.740 -0.000 0.000 0.251 302 N C -1.208 174.508 175.510 0.343 0.000 1.031 302 N CA -0.110 53.048 53.050 0.180 0.000 0.720 302 N CB -0.547 38.041 38.487 0.168 0.000 0.930 302 N HN 0.202 nan 8.380 nan 0.000 0.543 303 F N 1.565 121.590 119.950 0.125 0.000 2.347 303 F HA 0.496 5.023 4.527 -0.000 0.000 0.366 303 F C -0.316 175.522 175.800 0.064 0.000 1.107 303 F CA -1.108 57.046 58.000 0.256 0.000 1.058 303 F CB 1.249 40.423 39.000 0.290 0.000 1.236 303 F HN -0.055 nan 8.300 nan 0.000 0.456 304 S N 6.296 122.075 115.700 0.131 0.000 2.475 304 S HA 0.760 5.230 4.470 -0.000 0.000 0.298 304 S C -1.259 173.234 174.600 -0.178 0.000 1.119 304 S CA -0.337 57.706 58.200 -0.262 0.000 1.085 304 S CB 0.538 63.675 63.200 -0.104 0.000 1.028 304 S HN 0.624 nan 8.310 nan 0.000 0.489 305 W N 2.822 123.931 121.300 -0.319 0.000 2.975 305 W HA 0.747 5.407 4.660 -0.000 0.000 0.342 305 W C -1.104 175.357 176.519 -0.097 0.000 1.168 305 W CA -0.991 56.238 57.345 -0.194 0.000 1.141 305 W CB 0.723 30.000 29.460 -0.305 0.000 1.445 305 W HN 0.572 nan 8.180 nan 0.000 0.560 306 Q N 1.970 121.987 119.800 0.361 0.000 2.275 306 Q HA 0.521 4.861 4.340 -0.000 0.000 0.258 306 Q C -2.004 174.177 176.000 0.301 0.000 0.960 306 Q CA -0.488 55.492 55.803 0.295 0.000 0.801 306 Q CB 1.693 30.521 28.738 0.150 0.000 1.302 306 Q HN 0.753 nan 8.270 nan 0.000 0.433 307 L N 4.895 126.331 121.223 0.355 0.000 2.325 307 L HA 0.640 4.980 4.340 -0.000 0.000 0.278 307 L C -2.128 174.909 176.870 0.278 0.000 1.023 307 L CA -2.416 52.609 54.840 0.309 0.000 0.811 307 L CB 1.564 43.837 42.059 0.357 0.000 1.249 307 L HN 0.561 nan 8.230 nan 0.000 0.431 308 P HA 0.048 nan 4.420 nan 0.000 0.264 308 P C 0.711 178.009 177.300 -0.004 0.000 1.183 308 P CA 0.639 63.785 63.100 0.078 0.000 0.763 308 P CB 0.649 32.377 31.700 0.047 0.000 0.807 309 G N 0.491 109.240 108.800 -0.085 0.000 2.179 309 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 309 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 309 G C -0.378 174.278 174.900 -0.405 0.000 0.977 309 G CA -0.157 44.779 45.100 -0.273 0.000 0.641 309 G HN 0.451 nan 8.290 nan 0.000 0.533 310 Y N 0.727 121.058 120.300 0.051 0.000 2.570 310 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 310 Y C 0.776 176.711 175.900 0.058 0.000 1.014 310 Y CA -0.672 57.466 58.100 0.064 0.000 1.063 310 Y CB 1.902 40.434 38.460 0.119 0.000 1.272 310 Y HN 0.397 nan 8.280 nan 0.000 0.477 311 S N 1.374 117.213 115.700 0.230 0.000 2.713 311 S HA 0.514 4.983 4.470 -0.000 0.000 0.277 311 S C -0.065 174.585 174.600 0.084 0.000 1.168 311 S CA -1.048 57.223 58.200 0.119 0.000 0.994 311 S CB 0.970 64.212 63.200 0.070 0.000 1.054 311 S HN 0.724 nan 8.310 nan 0.000 0.555 312 R N -0.549 119.957 120.500 0.011 0.000 2.590 312 R HA 0.401 4.741 4.340 -0.000 0.000 0.274 312 R C 1.343 177.517 176.300 -0.210 0.000 1.061 312 R CA 1.017 57.076 56.100 -0.068 0.000 1.081 312 R CB -0.552 29.704 30.300 -0.073 0.000 0.984 312 R HN 1.339 nan 8.270 nan 0.000 0.448 313 G N 2.595 111.110 108.800 -0.475 0.000 2.220 313 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.269 313 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.269 313 G C 0.204 174.841 174.900 -0.439 0.000 0.977 313 G CA 0.416 45.011 45.100 -0.841 0.000 0.634 313 G HN 0.803 nan 8.290 nan 0.000 0.539 314 N N 0.499 119.129 118.700 -0.117 0.000 2.458 314 N HA 0.229 4.969 4.740 -0.000 0.000 0.258 314 N C 0.135 175.678 175.510 0.056 0.000 1.219 314 N CA 0.378 53.375 53.050 -0.089 0.000 0.902 314 N CB 0.075 38.557 38.487 -0.007 0.000 1.076 314 N HN 0.353 nan 8.380 nan 0.000 0.455 315 I N 5.228 125.780 120.570 -0.030 0.000 2.460 315 I HA 0.261 4.431 4.170 -0.000 0.000 0.277 315 I C -2.200 173.964 176.117 0.078 0.000 1.057 315 I CA -1.920 59.481 61.300 0.168 0.000 1.179 315 I CB 1.514 39.601 38.000 0.146 0.000 1.329 315 I HN 0.301 nan 8.210 nan 0.000 0.478 316 P HA 0.123 nan 4.420 nan 0.000 0.272 316 P C -2.402 174.926 177.300 0.047 0.000 1.230 316 P CA -1.103 61.969 63.100 -0.048 0.000 0.788 316 P CB -0.198 31.402 31.700 -0.167 0.000 0.949 317 P HA -0.048 nan 4.420 nan 0.000 0.265 317 P C 0.793 178.120 177.300 0.045 0.000 1.193 317 P CA 1.096 64.244 63.100 0.080 0.000 0.765 317 P CB 0.042 31.812 31.700 0.117 0.000 0.823 318 G N 1.860 110.671 108.800 0.018 0.000 2.162 318 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 318 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 318 G C 0.353 175.223 174.900 -0.050 0.000 0.976 318 G CA 0.433 45.523 45.100 -0.016 0.000 0.655 318 G HN 0.865 nan 8.290 nan 0.000 0.533 319 S N -0.598 115.065 115.700 -0.060 0.000 2.681 319 S HA 0.851 5.321 4.470 -0.000 0.000 0.270 319 S C 0.179 174.684 174.600 -0.160 0.000 1.209 319 S CA 0.626 58.699 58.200 -0.211 0.000 0.988 319 S CB 2.131 65.160 63.200 -0.285 0.000 1.006 319 S HN 2.017 nan 8.310 nan 0.000 0.558 320 S N -0.076 115.417 115.700 -0.345 0.000 2.550 320 S HA 0.573 5.042 4.470 -0.000 0.000 0.270 320 S C -1.236 173.312 174.600 -0.087 0.000 1.145 320 S CA -1.010 57.129 58.200 -0.102 0.000 0.852 320 S CB 0.885 64.066 63.200 -0.031 0.000 1.119 320 S HN 0.831 nan 8.310 nan 0.000 0.465 321 L N 2.452 123.748 121.223 0.122 0.000 2.295 321 L HA 0.785 5.125 4.340 -0.000 0.000 0.285 321 L C -1.366 175.497 176.870 -0.011 0.000 1.035 321 L CA -0.778 54.160 54.840 0.163 0.000 0.806 321 L CB 1.539 43.760 42.059 0.271 0.000 1.214 321 L HN 0.726 nan 8.230 nan 0.000 0.426 322 V N 5.625 125.410 119.914 -0.215 0.000 2.656 322 V HA 0.445 4.565 4.120 -0.000 0.000 0.307 322 V C -0.292 175.634 176.094 -0.281 0.000 1.051 322 V CA -0.597 61.509 62.300 -0.324 0.000 0.893 322 V CB 2.167 33.540 31.823 -0.751 0.000 0.999 322 V HN 0.546 nan 8.190 nan 0.000 0.426 323 L N 4.085 125.240 121.223 -0.114 0.000 2.305 323 L HA 0.636 4.976 4.340 -0.000 0.000 0.284 323 L C -0.200 176.673 176.870 0.006 0.000 1.013 323 L CA -0.459 54.354 54.840 -0.045 0.000 0.819 323 L CB 1.632 43.679 42.059 -0.021 0.000 1.227 323 L HN 0.628 nan 8.230 nan 0.000 0.417 324 E N 3.100 123.363 120.200 0.105 0.000 2.171 324 E HA 0.397 4.746 4.350 -0.000 0.000 0.271 324 E C -0.803 175.901 176.600 0.174 0.000 0.916 324 E CA -0.808 55.647 56.400 0.090 0.000 0.774 324 E CB 2.659 32.497 29.700 0.230 0.000 1.128 324 E HN 0.362 nan 8.360 nan 0.000 0.403 325 R N 3.582 124.109 120.500 0.045 0.000 2.207 325 R HA 0.263 4.603 4.340 -0.000 0.000 0.334 325 R C -1.380 174.946 176.300 0.043 0.000 1.013 325 R CA -0.370 55.834 56.100 0.173 0.000 0.858 325 R CB 0.571 30.953 30.300 0.136 0.000 1.094 325 R HN 0.489 nan 8.270 nan 0.000 0.457 326 W N 3.031 124.471 121.300 0.234 0.000 2.639 326 W HA 0.488 5.148 4.660 -0.000 0.000 0.347 326 W C 0.135 176.862 176.519 0.348 0.000 1.067 326 W CA -0.752 56.750 57.345 0.262 0.000 1.218 326 W CB 1.353 30.962 29.460 0.247 0.000 1.393 326 W HN 0.250 nan 8.180 nan 0.000 0.557 327 R N 1.822 122.698 120.500 0.627 0.000 2.561 327 R HA 0.129 4.469 4.340 -0.000 0.000 0.297 327 R C -1.073 175.529 176.300 0.503 0.000 0.969 327 R CA -0.768 55.616 56.100 0.474 0.000 0.879 327 R CB 1.362 31.803 30.300 0.235 0.000 1.178 327 R HN 0.394 nan 8.270 nan 0.000 0.445 328 D N 3.287 123.922 120.400 0.393 0.000 2.346 328 D HA 0.069 4.709 4.640 -0.000 0.000 0.260 328 D C 0.951 177.191 176.300 -0.101 0.000 1.252 328 D CA 0.271 54.204 54.000 -0.110 0.000 0.895 328 D CB 1.500 42.260 40.800 -0.066 0.000 1.097 328 D HN 0.642 nan 8.370 nan 0.000 0.489 329 A N 5.830 128.545 122.820 -0.176 0.000 1.903 329 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 329 A C 2.045 179.566 177.584 -0.105 0.000 1.191 329 A CA 1.950 53.926 52.037 -0.102 0.000 0.638 329 A CB -0.459 18.479 19.000 -0.104 0.000 0.823 329 A HN 0.722 nan 8.150 nan 0.000 0.451 330 K N 0.078 120.379 120.400 -0.165 0.000 1.965 330 K HA -0.181 4.139 4.320 -0.000 0.000 0.218 330 K C 2.132 178.694 176.600 -0.064 0.000 1.048 330 K CA 2.372 58.590 56.287 -0.114 0.000 0.960 330 K CB -0.476 31.939 32.500 -0.142 0.000 0.732 330 K HN 0.549 nan 8.250 nan 0.000 0.444 331 S N -0.999 114.671 115.700 -0.050 0.000 2.527 331 S HA 0.139 4.609 4.470 -0.000 0.000 0.222 331 S C 1.464 176.074 174.600 0.017 0.000 0.985 331 S CA 0.646 58.846 58.200 -0.000 0.000 0.921 331 S CB 0.007 63.229 63.200 0.036 0.000 0.772 331 S HN 0.739 nan 8.310 nan 0.000 0.529 332 G N 0.981 109.793 108.800 0.019 0.000 2.175 332 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.265 332 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.265 332 G C -0.103 174.835 174.900 0.063 0.000 0.979 332 G CA 0.527 45.649 45.100 0.036 0.000 0.663 332 G HN 0.631 nan 8.290 nan 0.000 0.533 333 E N -0.140 120.124 120.200 0.105 0.000 2.404 333 E HA 0.434 4.784 4.350 -0.000 0.000 0.261 333 E C 0.808 177.475 176.600 0.112 0.000 1.074 333 E CA -0.196 56.250 56.400 0.076 0.000 0.917 333 E CB 0.412 30.170 29.700 0.097 0.000 0.965 333 E HN 0.376 nan 8.360 nan 0.000 0.433 334 R N 1.489 121.956 120.500 -0.055 0.000 2.604 334 R HA 0.422 4.762 4.340 -0.000 0.000 0.287 334 R C -1.265 174.987 176.300 -0.079 0.000 0.970 334 R CA -0.452 55.661 56.100 0.022 0.000 0.946 334 R CB 0.947 31.149 30.300 -0.162 0.000 1.127 334 R HN 0.413 nan 8.270 nan 0.000 0.473 335 Y N 1.000 121.535 120.300 0.391 0.000 2.581 335 Y HA 0.455 5.005 4.550 -0.000 0.000 0.345 335 Y C -0.875 175.325 175.900 0.500 0.000 1.036 335 Y CA -1.026 57.322 58.100 0.413 0.000 1.042 335 Y CB 1.674 40.305 38.460 0.285 0.000 1.289 335 Y HN 0.307 nan 8.280 nan 0.000 0.471 336 L N 2.666 124.214 121.223 0.541 0.000 2.322 336 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 336 L C -0.634 176.464 176.870 0.380 0.000 1.014 336 L CA -0.627 54.465 54.840 0.419 0.000 0.815 336 L CB 1.371 43.512 42.059 0.136 0.000 1.247 336 L HN 0.701 nan 8.230 nan 0.000 0.421 337 R N 3.744 124.497 120.500 0.421 0.000 2.460 337 R HA 0.808 5.148 4.340 -0.000 0.000 0.303 337 R C -1.842 174.640 176.300 0.303 0.000 0.968 337 R CA -0.570 55.753 56.100 0.372 0.000 0.889 337 R CB 1.461 32.028 30.300 0.445 0.000 1.123 337 R HN 0.532 nan 8.270 nan 0.000 0.455 338 V N 5.752 125.835 119.914 0.282 0.000 2.577 338 V HA 0.517 4.637 4.120 -0.000 0.000 0.303 338 V C -1.376 174.872 176.094 0.256 0.000 1.042 338 V CA -0.688 61.676 62.300 0.107 0.000 0.872 338 V CB 1.339 33.095 31.823 -0.112 0.000 0.998 338 V HN 0.861 nan 8.190 nan 0.000 0.423 339 Y N 3.019 123.444 120.300 0.208 0.000 2.624 339 Y HA 0.811 5.361 4.550 -0.000 0.000 0.334 339 Y C -1.691 174.418 175.900 0.348 0.000 1.155 339 Y CA -1.670 56.628 58.100 0.331 0.000 1.046 339 Y CB 1.510 40.085 38.460 0.192 0.000 1.316 339 Y HN 0.497 nan 8.280 nan 0.000 0.457 340 F N 3.618 123.720 119.950 0.252 0.000 2.469 340 F HA 0.627 5.153 4.527 -0.000 0.000 0.332 340 F C -0.796 174.917 175.800 -0.146 0.000 1.103 340 F CA -0.612 57.217 58.000 -0.285 0.000 0.979 340 F CB 1.797 39.997 39.000 -1.333 0.000 1.137 340 F HN 0.735 nan 8.300 nan 0.000 0.463 341 Q N 4.960 124.216 119.800 -0.908 0.000 2.423 341 Q HA 0.922 5.261 4.340 -0.000 0.000 0.278 341 Q C -2.050 173.452 176.000 -0.830 0.000 1.097 341 Q CA -1.231 54.217 55.803 -0.592 0.000 0.809 341 Q CB 2.492 31.124 28.738 -0.177 0.000 1.391 341 Q HN 0.926 nan 8.270 nan 0.000 0.428 342 A N 1.299 123.839 122.820 -0.467 0.000 2.557 342 A HA 0.508 4.828 4.320 -0.000 0.000 0.292 342 A C -1.568 175.960 177.584 -0.093 0.000 1.139 342 A CA -0.829 51.016 52.037 -0.320 0.000 0.665 342 A CB 1.771 20.556 19.000 -0.359 0.000 1.285 342 A HN 0.732 nan 8.150 nan 0.000 0.433 343 Q N -0.115 119.687 119.800 0.003 0.000 2.226 343 Q HA 0.526 4.866 4.340 -0.000 0.000 0.256 343 Q C 0.510 176.663 176.000 0.254 0.000 0.962 343 Q CA -0.430 55.430 55.803 0.096 0.000 0.887 343 Q CB 1.789 30.572 28.738 0.076 0.000 1.282 343 Q HN 1.001 nan 8.270 nan 0.000 0.449 344 G N 0.418 109.353 108.800 0.224 0.000 2.667 344 G HA2 0.133 4.092 3.960 -0.000 0.000 0.250 344 G HA3 0.133 4.092 3.960 -0.000 0.000 0.250 344 G C 0.658 175.671 174.900 0.187 0.000 1.212 344 G CA -0.349 44.862 45.100 0.185 0.000 0.874 344 G HN 0.634 nan 8.290 nan 0.000 0.561 345 L N -0.376 120.878 121.223 0.052 0.000 2.046 345 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 345 L C 2.280 179.388 176.870 0.398 0.000 1.077 345 L CA 1.192 56.168 54.840 0.226 0.000 0.747 345 L CB -0.135 41.922 42.059 -0.004 0.000 0.896 345 L HN 0.403 nan 8.230 nan 0.000 0.432 346 D N -0.606 119.968 120.400 0.291 0.000 2.234 346 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 346 D C 1.736 178.119 176.300 0.139 0.000 0.962 346 D CA 0.729 54.896 54.000 0.279 0.000 0.855 346 D CB -0.064 40.869 40.800 0.221 0.000 0.951 346 D HN 0.263 nan 8.370 nan 0.000 0.500 347 D N 0.443 120.913 120.400 0.117 0.000 2.117 347 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 347 D C 2.357 178.700 176.300 0.072 0.000 0.987 347 D CA 0.394 54.427 54.000 0.055 0.000 0.829 347 D CB -0.177 40.658 40.800 0.058 0.000 0.961 347 D HN 0.243 nan 8.370 nan 0.000 0.460 348 L N 0.324 121.633 121.223 0.142 0.000 2.017 348 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 348 L C 2.670 179.670 176.870 0.218 0.000 1.073 348 L CA 1.005 55.953 54.840 0.179 0.000 0.745 348 L CB -0.290 41.910 42.059 0.234 0.000 0.894 348 L HN -0.040 nan 8.230 nan 0.000 0.432 349 R N 0.465 121.039 120.500 0.122 0.000 2.092 349 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 349 R C 2.038 178.361 176.300 0.039 0.000 1.119 349 R CA 1.236 57.308 56.100 -0.047 0.000 0.970 349 R CB 0.047 30.143 30.300 -0.341 0.000 0.864 349 R HN 0.268 nan 8.270 nan 0.000 0.440 350 R N 0.316 120.829 120.500 0.021 0.000 2.334 350 R HA 0.181 4.521 4.340 -0.000 0.000 0.220 350 R C 0.268 176.545 176.300 -0.038 0.000 0.917 350 R CA 0.010 56.097 56.100 -0.021 0.000 1.073 350 R CB 0.147 30.412 30.300 -0.058 0.000 1.056 350 R HN 0.161 nan 8.270 nan 0.000 0.506 351 L N 1.832 123.030 121.223 -0.041 0.000 3.742 351 L HA -0.254 4.085 4.340 -0.000 0.000 0.431 351 L C -0.041 176.770 176.870 -0.099 0.000 1.220 351 L CA 0.117 54.882 54.840 -0.126 0.000 0.863 351 L CB -1.429 40.510 42.059 -0.199 0.000 1.751 351 L HN 0.302 nan 8.230 nan 0.000 0.922 352 Q N 1.228 120.974 119.800 -0.089 0.000 2.255 352 Q HA 0.134 4.473 4.340 -0.000 0.000 0.280 352 Q C 0.631 176.578 176.000 -0.089 0.000 1.068 352 Q CA 0.956 56.681 55.803 -0.130 0.000 0.911 352 Q CB 0.981 29.611 28.738 -0.180 0.000 1.157 352 Q HN 0.233 nan 8.270 nan 0.000 0.380 353 T N 6.243 120.748 114.554 -0.083 0.000 2.779 353 T HA 0.413 4.763 4.350 -0.000 0.000 0.296 353 T C -2.313 172.370 174.700 -0.028 0.000 0.938 353 T CA -1.850 60.219 62.100 -0.051 0.000 1.119 353 T CB 0.449 69.293 68.868 -0.041 0.000 0.891 353 T HN 0.514 nan 8.240 nan 0.000 0.526 354 P HA 0.302 nan 4.420 nan 0.000 0.267 354 P C -1.026 176.271 177.300 -0.005 0.000 1.205 354 P CA 0.082 63.177 63.100 -0.007 0.000 0.765 354 P CB 0.550 32.225 31.700 -0.042 0.000 0.828 355 D N 1.067 121.483 120.400 0.026 0.000 2.713 355 D HA 0.316 4.955 4.640 -0.000 0.000 0.306 355 D C 0.894 177.195 176.300 0.002 0.000 1.299 355 D CA -0.773 53.235 54.000 0.012 0.000 0.823 355 D CB -0.021 40.800 40.800 0.035 0.000 1.353 355 D HN 0.133 nan 8.370 nan 0.000 0.447 356 A N -0.281 122.529 122.820 -0.018 0.000 1.940 356 A HA -0.303 4.017 4.320 -0.000 0.000 0.221 356 A C 1.856 179.398 177.584 -0.069 0.000 1.190 356 A CA 2.390 54.403 52.037 -0.040 0.000 0.647 356 A CB -0.926 18.053 19.000 -0.035 0.000 0.821 356 A HN 0.607 nan 8.150 nan 0.000 0.457 357 Q N -1.673 118.074 119.800 -0.088 0.000 2.389 357 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 357 Q C -0.339 175.378 176.000 -0.472 0.000 0.944 357 Q CA 0.660 56.314 55.803 -0.249 0.000 0.908 357 Q CB 0.163 28.751 28.738 -0.251 0.000 1.002 357 Q HN 0.903 nan 8.270 nan 0.000 0.493 358 H N -0.083 118.974 119.070 -0.021 0.000 2.439 358 H HA 0.276 4.832 4.556 -0.000 0.000 0.228 358 H C -2.423 172.888 175.328 -0.029 0.000 1.423 358 H CA -1.801 54.236 56.048 -0.018 0.000 1.386 358 H CB 0.849 30.604 29.762 -0.011 0.000 1.641 358 H HN 0.178 nan 8.280 nan 0.000 0.508 359 P HA 0.034 nan 4.420 nan 0.000 0.276 359 P C 0.345 177.634 177.300 -0.018 0.000 1.244 359 P CA -0.506 62.584 63.100 -0.016 0.000 0.801 359 P CB 1.012 32.681 31.700 -0.051 0.000 1.006 360 M N 1.186 120.750 119.600 -0.060 0.000 2.246 360 M HA 0.024 4.504 4.480 -0.000 0.000 0.327 360 M C 0.549 176.813 176.300 -0.059 0.000 1.090 360 M CA 0.598 55.857 55.300 -0.069 0.000 1.087 360 M CB -0.569 31.959 32.600 -0.119 0.000 1.587 360 M HN 0.261 nan 8.290 nan 0.000 0.444 361 L N 2.535 123.737 121.223 -0.034 0.000 2.436 361 L HA 0.463 4.802 4.340 -0.000 0.000 0.265 361 L C 0.281 177.106 176.870 -0.075 0.000 1.168 361 L CA -0.163 54.668 54.840 -0.015 0.000 0.815 361 L CB 0.535 42.633 42.059 0.066 0.000 1.109 361 L HN 0.647 nan 8.230 nan 0.000 0.462 362 R N 1.648 122.121 120.500 -0.046 0.000 2.561 362 R HA 0.355 4.694 4.340 -0.000 0.000 0.266 362 R C -1.634 174.694 176.300 0.047 0.000 1.091 362 R CA -0.586 55.483 56.100 -0.051 0.000 0.927 362 R CB 1.858 32.075 30.300 -0.137 0.000 1.240 362 R HN 0.687 nan 8.270 nan 0.000 0.449 363 Q N 2.445 122.337 119.800 0.152 0.000 2.323 363 Q HA 0.300 4.640 4.340 -0.000 0.000 0.271 363 Q C -1.272 174.997 176.000 0.448 0.000 1.048 363 Q CA -0.721 55.240 55.803 0.264 0.000 0.792 363 Q CB 2.043 30.974 28.738 0.322 0.000 1.280 363 Q HN 0.594 nan 8.270 nan 0.000 0.441 364 E N 2.299 122.707 120.200 0.347 0.000 2.301 364 E HA 0.118 4.468 4.350 -0.000 0.000 0.275 364 E C -1.215 175.592 176.600 0.344 0.000 1.030 364 E CA -0.433 56.176 56.400 0.349 0.000 0.852 364 E CB 1.157 30.954 29.700 0.162 0.000 1.060 364 E HN 0.492 nan 8.360 nan 0.000 0.401 365 W N 4.599 125.831 121.300 -0.115 0.000 2.316 365 W HA 0.190 4.850 4.660 -0.000 0.000 0.321 365 W C -0.238 176.196 176.519 -0.143 0.000 1.203 365 W CA -0.397 56.690 57.345 -0.429 0.000 1.214 365 W CB 0.642 29.400 29.460 -1.170 0.000 1.169 365 W HN 0.485 nan 8.180 nan 0.000 0.561 366 R N 4.366 124.274 120.500 -0.987 0.000 2.799 366 R HA 0.724 5.064 4.340 -0.000 0.000 0.270 366 R C -1.567 174.039 176.300 -1.158 0.000 1.010 366 R CA -0.956 54.625 56.100 -0.864 0.000 0.916 366 R CB 1.974 32.059 30.300 -0.359 0.000 1.228 366 R HN 0.760 nan 8.270 nan 0.000 0.469 367 Q N -0.458 118.881 119.800 -0.768 0.000 2.756 367 Q HA 0.500 4.840 4.340 -0.000 0.000 0.295 367 Q C -3.037 172.814 176.000 -0.249 0.000 0.903 367 Q CA -1.995 53.510 55.803 -0.496 0.000 0.768 367 Q CB 1.555 30.000 28.738 -0.489 0.000 1.472 367 Q HN 0.393 nan 8.270 nan 0.000 0.416 368 P HA 0.185 nan 4.420 nan 0.000 0.265 368 P C 0.512 177.787 177.300 -0.041 0.000 1.193 368 P CA 1.733 64.791 63.100 -0.070 0.000 0.765 368 P CB 0.550 32.228 31.700 -0.037 0.000 0.823 369 G N 0.891 109.681 108.800 -0.016 0.000 2.259 369 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 369 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 369 G C 0.322 175.250 174.900 0.048 0.000 1.001 369 G CA -0.175 44.942 45.100 0.029 0.000 0.627 369 G HN 0.676 nan 8.290 nan 0.000 0.501 370 c N 3.105 121.701 118.600 -0.007 0.000 2.689 370 c HA 0.638 5.207 4.570 -0.000 0.000 0.409 370 c C 0.992 175.073 174.090 -0.015 0.000 1.293 370 c CA -0.233 56.099 56.329 0.005 0.000 2.136 370 c CB 0.198 42.663 42.510 -0.076 0.000 2.719 370 c HN 0.694 nan 8.230 nan 0.000 0.644 371 R N 1.559 122.034 120.500 -0.041 0.000 2.711 371 R HA 0.572 4.912 4.340 -0.000 0.000 0.284 371 R C -1.029 175.172 176.300 -0.165 0.000 0.968 371 R CA -0.664 55.384 56.100 -0.087 0.000 0.924 371 R CB 0.968 31.228 30.300 -0.067 0.000 1.162 371 R HN 0.618 nan 8.270 nan 0.000 0.465 372 Q N 1.764 121.484 119.800 -0.134 0.000 2.297 372 Q HA 0.170 4.510 4.340 -0.000 0.000 0.267 372 Q C -0.726 175.154 176.000 -0.200 0.000 1.006 372 Q CA 0.454 56.160 55.803 -0.161 0.000 0.896 372 Q CB 0.961 29.636 28.738 -0.104 0.000 1.186 372 Q HN 0.833 nan 8.270 nan 0.000 0.392 373 T N -0.498 113.871 114.554 -0.308 0.000 2.865 373 T HA 0.338 4.688 4.350 -0.000 0.000 0.294 373 T C 0.081 174.597 174.700 -0.307 0.000 1.119 373 T CA -0.737 61.155 62.100 -0.347 0.000 1.007 373 T CB 0.946 69.313 68.868 -0.835 0.000 1.225 373 T HN 0.507 nan 8.240 nan 0.000 0.515 374 D N 0.530 120.811 120.400 -0.199 0.000 2.311 374 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 374 D C 1.882 178.041 176.300 -0.235 0.000 0.972 374 D CA 1.393 55.307 54.000 -0.142 0.000 0.887 374 D CB -0.084 40.703 40.800 -0.021 0.000 0.915 374 D HN 0.556 nan 8.370 nan 0.000 0.497 375 V N -3.755 115.871 119.914 -0.481 0.000 3.483 375 V HA 0.594 4.714 4.120 -0.000 0.000 0.301 375 V C 0.830 176.623 176.094 -0.502 0.000 1.389 375 V CA 0.412 62.397 62.300 -0.524 0.000 1.101 375 V CB 0.139 31.371 31.823 -0.985 0.000 0.971 375 V HN 0.222 nan 8.190 nan 0.000 0.434 376 G N -0.028 108.504 108.800 -0.447 0.000 2.331 376 G HA2 0.053 4.013 3.960 -0.000 0.000 0.479 376 G HA3 0.053 4.013 3.960 -0.000 0.000 0.479 376 G C -0.529 174.161 174.900 -0.351 0.000 1.262 376 G CA -0.317 44.590 45.100 -0.321 0.000 1.029 376 G HN 0.350 nan 8.290 nan 0.000 0.487 377 T N 1.015 115.441 114.554 -0.213 0.000 2.729 377 T HA 0.545 4.895 4.350 -0.000 0.000 0.296 377 T C -0.219 174.387 174.700 -0.156 0.000 0.928 377 T CA 0.085 62.080 62.100 -0.176 0.000 1.045 377 T CB 0.897 69.716 68.868 -0.082 0.000 0.902 377 T HN 0.503 nan 8.240 nan 0.000 0.500 378 L N 4.061 125.133 121.223 -0.251 0.000 2.305 378 L HA 0.454 4.793 4.340 -0.000 0.000 0.284 378 L C -0.362 176.573 176.870 0.110 0.000 1.013 378 L CA -0.307 54.421 54.840 -0.187 0.000 0.819 378 L CB 0.977 42.622 42.059 -0.690 0.000 1.227 378 L HN 0.757 nan 8.230 nan 0.000 0.417 379 c N 4.696 123.490 118.600 0.323 0.000 2.355 379 c HA 0.533 5.103 4.570 -0.000 0.000 0.332 379 c C -2.164 172.185 174.090 0.432 0.000 1.255 379 c CA -1.629 54.913 56.329 0.355 0.000 1.792 379 c CB 1.336 44.041 42.510 0.326 0.000 2.300 379 c HN 0.586 nan 8.230 nan 0.000 0.515 380 P HA -0.040 nan 4.420 nan 0.000 0.263 380 P C 0.368 177.709 177.300 0.069 0.000 1.175 380 P CA 0.388 63.473 63.100 -0.025 0.000 0.761 380 P CB 0.256 31.972 31.700 0.027 0.000 0.794 381 F N 3.165 123.048 119.950 -0.111 0.000 2.098 381 F HA -0.207 4.319 4.527 -0.000 0.000 0.294 381 F C 2.331 178.139 175.800 0.013 0.000 1.107 381 F CA 1.590 59.587 58.000 -0.005 0.000 1.234 381 F CB -0.296 38.693 39.000 -0.019 0.000 1.002 381 F HN 0.228 nan 8.300 nan 0.000 0.472 382 Q N 1.091 120.994 119.800 0.171 0.000 2.050 382 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 382 Q C 2.184 178.169 176.000 -0.025 0.000 0.980 382 Q CA 2.198 58.047 55.803 0.076 0.000 0.840 382 Q CB -0.908 27.905 28.738 0.126 0.000 0.898 382 Q HN 0.459 nan 8.270 nan 0.000 0.424 383 A N 0.094 122.924 122.820 0.017 0.000 1.978 383 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 383 A C 2.224 179.834 177.584 0.043 0.000 1.170 383 A CA 1.917 53.976 52.037 0.036 0.000 0.636 383 A CB -0.999 18.038 19.000 0.062 0.000 0.810 383 A HN 0.500 nan 8.150 nan 0.000 0.448 384 A N 0.027 122.853 122.820 0.010 0.000 1.872 384 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 384 A C 2.001 179.470 177.584 -0.191 0.000 1.187 384 A CA 1.446 53.494 52.037 0.019 0.000 0.614 384 A CB -0.458 18.561 19.000 0.033 0.000 0.826 384 A HN 0.369 nan 8.150 nan 0.000 0.442 385 I N 0.466 120.830 120.570 -0.344 0.000 2.163 385 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 385 I C 2.557 178.571 176.117 -0.173 0.000 1.085 385 I CA 2.110 63.211 61.300 -0.331 0.000 1.347 385 I CB -1.954 35.811 38.000 -0.393 0.000 1.044 385 I HN 0.259 nan 8.210 nan 0.000 0.408 386 T N 1.398 115.889 114.554 -0.104 0.000 2.684 386 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 386 T C 2.029 176.715 174.700 -0.023 0.000 1.036 386 T CA 1.844 63.918 62.100 -0.043 0.000 1.148 386 T CB -0.374 68.488 68.868 -0.009 0.000 0.863 386 T HN 0.476 nan 8.240 nan 0.000 0.436 387 A N 1.156 123.983 122.820 0.011 0.000 1.902 387 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 387 A C 2.264 179.845 177.584 -0.005 0.000 1.181 387 A CA 1.176 53.256 52.037 0.071 0.000 0.623 387 A CB -0.811 18.330 19.000 0.235 0.000 0.818 387 A HN 0.510 nan 8.150 nan 0.000 0.443 388 L N -0.948 120.184 121.223 -0.151 0.000 2.275 388 L HA -0.044 4.296 4.340 -0.000 0.000 0.215 388 L C 2.442 179.231 176.870 -0.134 0.000 1.119 388 L CA 0.842 55.538 54.840 -0.240 0.000 0.790 388 L CB -0.405 41.400 42.059 -0.424 0.000 0.919 388 L HN 0.482 nan 8.230 nan 0.000 0.443 389 G N -1.828 106.914 108.800 -0.096 0.000 2.796 389 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.210 389 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.210 389 G C 1.359 176.239 174.900 -0.034 0.000 1.146 389 G CA -0.242 44.819 45.100 -0.065 0.000 0.779 389 G HN 0.212 nan 8.290 nan 0.000 0.535 390 Q N -0.064 119.724 119.800 -0.019 0.000 2.197 390 Q HA -0.150 4.190 4.340 -0.000 0.000 0.211 390 Q C 2.281 178.284 176.000 0.004 0.000 0.993 390 Q CA 1.260 57.064 55.803 0.001 0.000 0.883 390 Q CB -0.024 28.725 28.738 0.019 0.000 0.916 390 Q HN 0.364 nan 8.270 nan 0.000 0.418 391 R N -0.530 119.971 120.500 0.001 0.000 2.334 391 R HA 0.246 4.586 4.340 -0.000 0.000 0.216 391 R C 0.190 176.487 176.300 -0.005 0.000 0.905 391 R CA -0.339 55.765 56.100 0.006 0.000 1.064 391 R CB 0.460 30.768 30.300 0.014 0.000 1.046 391 R HN 0.182 nan 8.270 nan 0.000 0.508 392 I N 1.634 122.196 120.570 -0.014 0.000 2.710 392 I HA -0.120 4.049 4.170 -0.000 0.000 0.286 392 I C 0.117 176.224 176.117 -0.017 0.000 1.181 392 I CA 0.446 61.732 61.300 -0.023 0.000 1.430 392 I CB 0.379 38.362 38.000 -0.028 0.000 1.367 392 I HN -0.016 nan 8.210 nan 0.000 0.577 393 D N 6.180 126.566 120.400 -0.024 0.000 2.396 393 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 393 D C 1.214 177.502 176.300 -0.020 0.000 1.121 393 D CA -0.481 53.510 54.000 -0.016 0.000 0.853 393 D CB 0.782 41.568 40.800 -0.023 0.000 1.043 393 D HN 0.257 nan 8.370 nan 0.000 0.500 394 R N 3.959 124.451 120.500 -0.013 0.000 2.096 394 R HA -0.118 4.222 4.340 -0.000 0.000 0.240 394 R C -0.885 175.404 176.300 -0.018 0.000 1.139 394 R CA 1.269 57.359 56.100 -0.016 0.000 0.952 394 R CB -2.022 28.271 30.300 -0.011 0.000 0.854 394 R HN 0.491 nan 8.270 nan 0.000 0.436 395 P HA 0.012 nan 4.420 nan 0.000 0.225 395 P C 0.574 177.865 177.300 -0.015 0.000 1.148 395 P CA 1.166 64.261 63.100 -0.008 0.000 0.779 395 P CB 0.082 31.784 31.700 0.004 0.000 0.780 396 S N -1.194 114.490 115.700 -0.026 0.000 2.577 396 S HA 0.315 4.784 4.470 -0.000 0.000 0.219 396 S C 1.032 175.601 174.600 -0.052 0.000 0.962 396 S CA -0.035 58.142 58.200 -0.039 0.000 0.921 396 S CB -0.043 63.123 63.200 -0.057 0.000 0.789 396 S HN 0.086 nan 8.310 nan 0.000 0.497 397 A N 3.266 126.056 122.820 -0.049 0.000 3.215 397 A HA 0.479 4.799 4.320 -0.000 0.000 0.320 397 A C -2.663 174.883 177.584 -0.063 0.000 1.084 397 A CA -1.469 50.532 52.037 -0.060 0.000 0.969 397 A CB -0.028 18.942 19.000 -0.050 0.000 1.064 397 A HN 0.148 nan 8.150 nan 0.000 0.513 398 P HA 0.305 nan 4.420 nan 0.000 0.272 398 P C 0.243 177.490 177.300 -0.088 0.000 1.223 398 P CA 0.112 63.168 63.100 -0.073 0.000 0.784 398 P CB 0.915 32.565 31.700 -0.083 0.000 0.923 399 A N 2.243 125.018 122.820 -0.075 0.000 2.462 399 A HA 0.409 4.729 4.320 -0.000 0.000 0.243 399 A C 0.333 177.855 177.584 -0.103 0.000 1.076 399 A CA -0.185 51.805 52.037 -0.079 0.000 0.773 399 A CB -0.177 18.786 19.000 -0.062 0.000 1.010 399 A HN 0.509 nan 8.150 nan 0.000 0.493 400 V N 0.003 119.847 119.914 -0.115 0.000 2.769 400 V HA 0.830 4.950 4.120 -0.000 0.000 0.312 400 V C 0.225 176.251 176.094 -0.114 0.000 1.061 400 V CA -0.419 61.801 62.300 -0.133 0.000 0.931 400 V CB 1.416 33.127 31.823 -0.186 0.000 1.010 400 V HN 1.706 nan 8.190 nan 0.000 0.433 401 A N 5.226 127.981 122.820 -0.108 0.000 2.438 401 A HA 0.435 4.755 4.320 -0.000 0.000 0.280 401 A C 0.880 178.392 177.584 -0.120 0.000 1.160 401 A CA 0.180 52.153 52.037 -0.106 0.000 0.821 401 A CB 0.102 19.047 19.000 -0.093 0.000 1.101 401 A HN 1.355 nan 8.150 nan 0.000 0.515 402 M N 4.187 123.705 119.600 -0.136 0.000 2.213 402 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 402 M C 0.465 176.650 176.300 -0.192 0.000 1.062 402 M CA 1.647 56.867 55.300 -0.134 0.000 1.105 402 M CB -0.247 32.275 32.600 -0.130 0.000 1.385 402 M HN 0.324 nan 8.290 nan 0.000 0.417 403 V N 2.932 122.649 119.914 -0.329 0.000 2.387 403 V HA 0.121 4.241 4.120 -0.000 0.000 0.260 403 V C 0.434 176.448 176.094 -0.135 0.000 1.054 403 V CA -0.507 61.544 62.300 -0.415 0.000 0.967 403 V CB -0.664 30.877 31.823 -0.470 0.000 1.036 403 V HN 0.295 nan 8.190 nan 0.000 0.481 404 L N 7.211 128.441 121.223 0.013 0.000 2.479 404 L HA 0.159 4.498 4.340 -0.000 0.000 0.270 404 L C -0.956 175.899 176.870 -0.025 0.000 1.236 404 L CA -1.012 53.835 54.840 0.012 0.000 0.823 404 L CB -0.342 41.761 42.059 0.074 0.000 1.098 404 L HN 0.467 nan 8.230 nan 0.000 0.500 405 P HA -0.012 nan 4.420 nan 0.000 0.327 405 P C -0.258 177.031 177.300 -0.018 0.000 1.414 405 P CA -0.365 62.719 63.100 -0.026 0.000 0.823 405 P CB 0.127 31.813 31.700 -0.024 0.000 1.899 406 K N 0.000 120.384 120.400 -0.027 0.000 2.780 406 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 406 K CA 0.000 56.277 56.287 -0.016 0.000 0.838 406 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 406 K HN 0.000 nan 8.250 nan 0.000 0.543