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 3qfw_1_B DATA FIRST_RESID 4 DATA SEQUENCE TEPRIVATYH IASDAERIEQ RALALAIEQS VECPLEAIXX XXXXXNIVGR DATA SEQUENCE VEDVAELQPG RYAVRIGLAA ATAPAEPGQL LNMLFGNSSI QPDIALADVE DATA SEQUENCE LPAHYLTAFG GPRVGLAGIR TLTGAQSRAL TASALKPQGL SPAALASIAH DATA SEQUENCE QLALGGVDLI KDDHGLADQA FSPFAERAAA VGKAVREANA ARGGRTLYAP DATA SEQUENCE NISGTLDDMR RQLGVIRDEG IGAVLVAPMI VGVSNFHAIV KEAAGLVVVA DATA SEQUENCE HPAMAGAAKI AAPLLLGRLF RLFGADATVF PNYGGRFAYS TASCLALAQA DATA SEQUENCE ARDPFGKLNA CIPTPAGGIM LQRVNELLRF YGQDVMLLIX XXXXXXXXRL DATA SEQUENCE TEQASRFVNK VADYGQRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.716 174.700 0.027 0.000 1.109 4 T CA 0.000 62.112 62.100 0.020 0.000 1.349 4 T CB 0.000 68.881 68.868 0.021 0.000 0.612 5 E N 3.350 123.569 120.200 0.032 0.000 2.324 5 E HA 0.271 4.621 4.350 -0.000 0.000 0.271 5 E C -2.132 174.512 176.600 0.073 0.000 1.028 5 E CA -1.767 54.662 56.400 0.048 0.000 0.890 5 E CB 0.537 30.265 29.700 0.046 0.000 1.004 5 E HN 0.328 nan 8.360 nan 0.000 0.431 6 P HA 0.025 nan 4.420 nan 0.000 0.266 6 P C -0.013 177.361 177.300 0.122 0.000 1.195 6 P CA 0.338 63.497 63.100 0.098 0.000 0.768 6 P CB 0.601 32.367 31.700 0.110 0.000 0.838 7 R N 1.904 122.459 120.500 0.092 0.000 2.549 7 R HA 0.461 4.801 4.340 -0.000 0.000 0.267 7 R C 0.238 176.579 176.300 0.067 0.000 1.045 7 R CA -0.976 55.177 56.100 0.088 0.000 1.115 7 R CB 0.682 31.021 30.300 0.065 0.000 1.121 7 R HN 0.446 nan 8.270 nan 0.000 0.543 8 I N 1.711 122.307 120.570 0.044 0.000 2.416 8 I HA 0.073 4.242 4.170 -0.000 0.000 0.288 8 I C -0.205 175.910 176.117 -0.004 0.000 1.051 8 I CA -0.345 60.940 61.300 -0.026 0.000 1.375 8 I CB 1.287 39.237 38.000 -0.084 0.000 1.407 8 I HN 0.152 nan 8.210 nan 0.000 0.516 9 V N 7.007 126.909 119.914 -0.019 0.000 2.318 9 V HA 0.470 4.590 4.120 -0.000 0.000 0.271 9 V C 0.494 176.558 176.094 -0.051 0.000 1.030 9 V CA -0.538 61.757 62.300 -0.008 0.000 0.844 9 V CB 0.911 32.735 31.823 0.001 0.000 1.015 9 V HN 0.815 nan 8.190 nan 0.000 0.460 10 A N 3.818 126.613 122.820 -0.042 0.000 2.301 10 A HA 0.750 5.070 4.320 -0.000 0.000 0.312 10 A C 0.310 177.761 177.584 -0.223 0.000 1.182 10 A CA -0.351 51.572 52.037 -0.190 0.000 0.826 10 A CB 0.671 19.539 19.000 -0.220 0.000 1.134 10 A HN 0.664 nan 8.150 nan 0.000 0.501 11 T N 2.747 117.085 114.554 -0.359 0.000 2.771 11 T HA 0.545 4.895 4.350 -0.000 0.000 0.281 11 T C -1.082 173.340 174.700 -0.464 0.000 0.982 11 T CA 0.307 62.260 62.100 -0.246 0.000 0.978 11 T CB 0.074 68.856 68.868 -0.143 0.000 0.930 11 T HN 0.422 nan 8.240 nan 0.000 0.447 12 Y N 1.018 121.302 120.300 -0.028 0.000 2.509 12 Y HA 0.430 4.980 4.550 -0.000 0.000 0.341 12 Y C 0.733 176.724 175.900 0.152 0.000 1.038 12 Y CA -1.077 57.003 58.100 -0.032 0.000 1.089 12 Y CB 1.334 39.807 38.460 0.022 0.000 1.241 12 Y HN 0.651 nan 8.280 nan 0.000 0.468 13 H N 2.982 122.126 119.070 0.123 0.000 2.481 13 H HA 0.591 5.146 4.556 -0.000 0.000 0.333 13 H C -0.989 174.411 175.328 0.121 0.000 1.066 13 H CA -0.667 55.435 56.048 0.090 0.000 1.209 13 H CB 1.420 31.193 29.762 0.019 0.000 1.445 13 H HN 0.438 nan 8.280 nan 0.000 0.488 14 I N 2.260 122.977 120.570 0.244 0.000 2.465 14 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 14 I C -0.122 176.102 176.117 0.178 0.000 1.014 14 I CA -0.908 60.508 61.300 0.194 0.000 1.093 14 I CB 1.903 40.004 38.000 0.168 0.000 1.267 14 I HN 0.597 nan 8.210 nan 0.000 0.431 15 A N 4.835 127.735 122.820 0.134 0.000 2.350 15 A HA 0.634 4.954 4.320 -0.000 0.000 0.293 15 A C -0.014 177.646 177.584 0.126 0.000 1.231 15 A CA 0.101 52.205 52.037 0.111 0.000 0.883 15 A CB 0.341 19.387 19.000 0.076 0.000 1.133 15 A HN 0.692 nan 8.150 nan 0.000 0.533 16 S N 1.751 117.562 115.700 0.185 0.000 2.615 16 S HA 0.435 4.905 4.470 -0.000 0.000 0.269 16 S C -1.351 173.387 174.600 0.230 0.000 1.161 16 S CA -0.754 57.545 58.200 0.164 0.000 0.817 16 S CB 1.295 64.557 63.200 0.103 0.000 1.131 16 S HN 0.663 nan 8.310 nan 0.000 0.467 17 D N 0.651 121.133 120.400 0.135 0.000 2.423 17 D HA 0.592 5.231 4.640 -0.000 0.000 0.255 17 D C 1.160 177.542 176.300 0.137 0.000 1.174 17 D CA 0.337 54.418 54.000 0.135 0.000 1.008 17 D CB 1.651 42.489 40.800 0.062 0.000 1.101 17 D HN 0.615 nan 8.370 nan 0.000 0.516 18 A N 0.501 123.405 122.820 0.139 0.000 2.016 18 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 18 A C 1.788 179.365 177.584 -0.012 0.000 1.162 18 A CA 1.210 53.300 52.037 0.087 0.000 0.662 18 A CB -0.348 18.726 19.000 0.124 0.000 0.812 18 A HN 0.715 nan 8.150 nan 0.000 0.450 19 E N -0.059 120.143 120.200 0.003 0.000 2.106 19 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 19 E C 1.775 178.354 176.600 -0.035 0.000 0.984 19 E CA 0.966 57.358 56.400 -0.012 0.000 0.806 19 E CB -0.044 29.656 29.700 0.001 0.000 0.750 19 E HN 0.587 nan 8.360 nan 0.000 0.458 20 R N -0.442 120.033 120.500 -0.042 0.000 2.365 20 R HA 0.127 4.467 4.340 -0.000 0.000 0.223 20 R C 2.059 178.302 176.300 -0.096 0.000 0.899 20 R CA -0.051 56.018 56.100 -0.051 0.000 1.059 20 R CB 0.115 30.400 30.300 -0.024 0.000 1.086 20 R HN 0.174 nan 8.270 nan 0.000 0.522 21 I N 1.929 122.394 120.570 -0.176 0.000 2.226 21 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 21 I C 1.857 177.829 176.117 -0.242 0.000 1.100 21 I CA 1.829 62.940 61.300 -0.314 0.000 1.374 21 I CB 0.006 37.501 38.000 -0.842 0.000 1.057 21 I HN 0.035 nan 8.210 nan 0.000 0.413 22 E N 0.312 120.394 120.200 -0.197 0.000 2.058 22 E HA -0.325 4.025 4.350 -0.000 0.000 0.194 22 E C 2.084 178.631 176.600 -0.087 0.000 0.997 22 E CA 1.758 58.082 56.400 -0.127 0.000 0.801 22 E CB -0.578 29.067 29.700 -0.092 0.000 0.746 22 E HN 0.731 nan 8.360 nan 0.000 0.450 23 Q N 0.653 120.409 119.800 -0.075 0.000 2.050 23 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 23 Q C 2.273 178.241 176.000 -0.055 0.000 0.980 23 Q CA 1.748 57.519 55.803 -0.054 0.000 0.840 23 Q CB -0.050 28.663 28.738 -0.043 0.000 0.898 23 Q HN -0.057 nan 8.270 nan 0.000 0.424 24 R N 0.494 120.956 120.500 -0.064 0.000 2.091 24 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 24 R C 1.994 178.257 176.300 -0.061 0.000 1.136 24 R CA 1.854 57.920 56.100 -0.056 0.000 0.959 24 R CB -0.908 29.361 30.300 -0.051 0.000 0.856 24 R HN 0.405 nan 8.270 nan 0.000 0.437 25 A N 0.129 122.905 122.820 -0.072 0.000 1.902 25 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 25 A C 2.093 179.645 177.584 -0.053 0.000 1.181 25 A CA 1.421 53.422 52.037 -0.061 0.000 0.623 25 A CB -0.664 18.301 19.000 -0.058 0.000 0.818 25 A HN 0.354 nan 8.150 nan 0.000 0.443 26 L N -0.321 120.873 121.223 -0.047 0.000 2.046 26 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 26 L C 2.782 179.628 176.870 -0.040 0.000 1.077 26 L CA 2.004 56.822 54.840 -0.036 0.000 0.747 26 L CB -0.648 41.392 42.059 -0.030 0.000 0.896 26 L HN 0.355 nan 8.230 nan 0.000 0.432 27 A N -0.769 122.025 122.820 -0.044 0.000 1.940 27 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 27 A C 2.216 179.763 177.584 -0.061 0.000 1.176 27 A CA 1.947 53.957 52.037 -0.044 0.000 0.631 27 A CB -1.001 17.974 19.000 -0.041 0.000 0.814 27 A HN 0.485 nan 8.150 nan 0.000 0.446 28 L N -0.171 121.001 121.223 -0.084 0.000 2.017 28 L HA -0.052 4.287 4.340 -0.000 0.000 0.208 28 L C 2.589 179.382 176.870 -0.128 0.000 1.073 28 L CA 2.340 57.095 54.840 -0.141 0.000 0.745 28 L CB -0.965 40.970 42.059 -0.206 0.000 0.894 28 L HN 0.320 nan 8.230 nan 0.000 0.432 29 A N 0.068 122.839 122.820 -0.081 0.000 1.908 29 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 29 A C 2.190 179.759 177.584 -0.025 0.000 1.181 29 A CA 2.126 54.139 52.037 -0.040 0.000 0.627 29 A CB -0.819 18.172 19.000 -0.015 0.000 0.818 29 A HN 0.496 nan 8.150 nan 0.000 0.445 30 I N 0.083 120.636 120.570 -0.028 0.000 2.163 30 I HA -0.180 3.990 4.170 -0.000 0.000 0.240 30 I C 2.394 178.499 176.117 -0.019 0.000 1.081 30 I CA 1.312 62.601 61.300 -0.018 0.000 1.353 30 I CB -1.702 36.287 38.000 -0.019 0.000 1.054 30 I HN 0.394 nan 8.210 nan 0.000 0.407 31 E N 0.683 120.861 120.200 -0.036 0.000 2.130 31 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 31 E C 1.525 178.112 176.600 -0.021 0.000 0.998 31 E CA 1.082 57.459 56.400 -0.037 0.000 0.806 31 E CB -0.142 29.522 29.700 -0.060 0.000 0.738 31 E HN 0.539 nan 8.360 nan 0.000 0.459 32 Q N -0.469 119.320 119.800 -0.018 0.000 2.212 32 Q HA 0.198 4.538 4.340 -0.000 0.000 0.213 32 Q C 0.673 176.698 176.000 0.042 0.000 0.874 32 Q CA -0.016 55.803 55.803 0.026 0.000 0.965 32 Q CB 1.113 29.880 28.738 0.049 0.000 1.074 32 Q HN 0.009 nan 8.270 nan 0.000 0.473 33 S N -0.884 114.831 115.700 0.026 0.000 3.576 33 S HA 0.110 4.580 4.470 -0.000 0.000 0.179 33 S C 1.253 175.869 174.600 0.026 0.000 0.977 33 S CA 0.484 58.704 58.200 0.032 0.000 1.189 33 S CB -0.236 62.980 63.200 0.026 0.000 1.443 33 S HN 0.067 nan 8.310 nan 0.000 0.874 34 V N 0.460 120.385 119.914 0.018 0.000 2.788 34 V HA 0.415 4.535 4.120 -0.000 0.000 0.251 34 V C 0.860 176.959 176.094 0.009 0.000 1.068 34 V CA 1.800 64.109 62.300 0.015 0.000 1.090 34 V CB -1.130 30.701 31.823 0.013 0.000 0.710 34 V HN 0.963 nan 8.190 nan 0.000 0.467 35 E N -0.802 119.400 120.200 0.003 0.000 2.389 35 E HA -0.242 4.107 4.350 -0.000 0.000 0.243 35 E C -0.404 176.195 176.600 -0.002 0.000 1.154 35 E CA 0.417 56.815 56.400 -0.003 0.000 0.723 35 E CB -1.491 28.208 29.700 -0.002 0.000 1.261 35 E HN 0.822 nan 8.360 nan 0.000 0.390 36 C N -0.120 119.179 119.300 -0.002 0.000 2.779 36 C HA 0.630 5.090 4.460 -0.000 0.000 0.314 36 C C -2.177 172.811 174.990 -0.003 0.000 1.231 36 C CA -1.352 57.666 59.018 -0.001 0.000 1.652 36 C CB 1.352 29.093 27.740 0.002 0.000 2.198 36 C HN 0.335 nan 8.230 nan 0.000 0.483 37 P HA 0.231 nan 4.420 nan 0.000 0.272 37 P C 0.598 177.897 177.300 -0.002 0.000 1.223 37 P CA -0.137 62.960 63.100 -0.004 0.000 0.784 37 P CB 0.435 32.133 31.700 -0.004 0.000 0.923 38 L N 0.733 121.955 121.223 -0.002 0.000 2.191 38 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 38 L C 2.090 178.960 176.870 0.000 0.000 1.103 38 L CA 1.343 56.183 54.840 -0.000 0.000 0.769 38 L CB -0.434 41.625 42.059 -0.001 0.000 0.908 38 L HN 0.561 nan 8.230 nan 0.000 0.438 39 E N 0.352 120.552 120.200 -0.001 0.000 2.347 39 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 39 E C 1.874 178.475 176.600 0.001 0.000 1.008 39 E CA 0.768 57.168 56.400 -0.000 0.000 0.852 39 E CB 0.212 29.911 29.700 -0.001 0.000 0.783 39 E HN 0.469 nan 8.360 nan 0.000 0.505 40 A N 0.438 123.259 122.820 0.001 0.000 2.238 40 A HA 0.148 4.468 4.320 -0.000 0.000 0.208 40 A C 1.101 178.687 177.584 0.003 0.000 1.177 40 A CA 0.047 52.085 52.037 0.002 0.000 0.804 40 A CB 0.080 19.081 19.000 0.001 0.000 0.823 40 A HN 0.085 nan 8.150 nan 0.000 0.482 50 I N 0.728 121.317 120.570 0.031 0.000 3.300 50 I HA 0.261 4.431 4.170 -0.000 0.000 0.279 50 I C 0.575 176.712 176.117 0.035 0.000 1.172 50 I CA 0.526 61.847 61.300 0.036 0.000 1.431 50 I CB -0.545 37.475 38.000 0.032 0.000 1.240 50 I HN -0.230 nan 8.210 nan 0.000 0.453 51 V N 2.671 122.601 119.914 0.027 0.000 2.720 51 V HA 0.149 4.269 4.120 -0.000 0.000 0.307 51 V C 1.132 177.243 176.094 0.028 0.000 1.071 51 V CA 0.039 62.353 62.300 0.023 0.000 1.199 51 V CB -0.168 31.665 31.823 0.016 0.000 0.900 51 V HN 0.452 nan 8.190 nan 0.000 0.494 52 G N 4.712 113.528 108.800 0.027 0.000 2.483 52 G HA2 0.387 4.347 3.960 -0.000 0.000 0.248 52 G HA3 0.387 4.347 3.960 -0.000 0.000 0.248 52 G C -0.128 174.789 174.900 0.028 0.000 1.248 52 G CA -0.621 44.500 45.100 0.035 0.000 0.838 52 G HN 0.723 nan 8.290 nan 0.000 0.566 53 R N 0.762 121.283 120.500 0.035 0.000 2.407 53 R HA 0.316 4.656 4.340 -0.000 0.000 0.303 53 R C -0.662 175.657 176.300 0.033 0.000 0.981 53 R CA -0.795 55.322 56.100 0.029 0.000 0.905 53 R CB 2.173 32.491 30.300 0.030 0.000 1.099 53 R HN 0.289 nan 8.270 nan 0.000 0.459 54 V N 4.363 124.290 119.914 0.022 0.000 2.370 54 V HA -0.014 4.106 4.120 -0.000 0.000 0.257 54 V C 1.211 177.321 176.094 0.028 0.000 1.064 54 V CA 0.321 62.636 62.300 0.025 0.000 0.975 54 V CB 0.586 32.414 31.823 0.008 0.000 1.067 54 V HN 0.782 nan 8.190 nan 0.000 0.485 55 E N 2.571 122.794 120.200 0.039 0.000 2.107 55 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 55 E C 0.291 176.910 176.600 0.032 0.000 0.982 55 E CA 0.863 57.284 56.400 0.034 0.000 0.809 55 E CB 0.419 30.142 29.700 0.038 0.000 0.756 55 E HN 0.843 nan 8.360 nan 0.000 0.459 56 D N -1.592 118.831 120.400 0.039 0.000 2.663 56 D HA 0.221 4.861 4.640 -0.000 0.000 0.233 56 D C -1.796 174.533 176.300 0.047 0.000 1.240 56 D CA -0.432 53.591 54.000 0.039 0.000 0.774 56 D CB 1.994 42.818 40.800 0.040 0.000 1.443 56 D HN -0.287 nan 8.370 nan 0.000 0.441 57 V N 1.420 121.360 119.914 0.043 0.000 2.525 57 V HA 0.910 5.030 4.120 -0.000 0.000 0.299 57 V C -0.328 175.826 176.094 0.100 0.000 1.034 57 V CA -0.584 61.751 62.300 0.058 0.000 0.863 57 V CB 1.133 32.951 31.823 -0.008 0.000 0.999 57 V HN 0.760 nan 8.190 nan 0.000 0.423 58 A N 3.276 126.186 122.820 0.150 0.000 2.413 58 A HA 0.821 5.141 4.320 -0.000 0.000 0.307 58 A C -0.580 177.114 177.584 0.184 0.000 1.087 58 A CA -0.685 51.434 52.037 0.136 0.000 0.750 58 A CB 1.602 20.639 19.000 0.061 0.000 1.296 58 A HN 0.856 nan 8.150 nan 0.000 0.423 59 E N 1.932 122.178 120.200 0.076 0.000 2.130 59 E HA 0.408 4.758 4.350 -0.000 0.000 0.284 59 E C -0.063 176.430 176.600 -0.180 0.000 1.018 59 E CA -0.451 55.852 56.400 -0.163 0.000 0.817 59 E CB 0.507 30.106 29.700 -0.168 0.000 1.078 59 E HN 0.634 nan 8.360 nan 0.000 0.396 60 L N 3.537 124.605 121.223 -0.259 0.000 2.102 60 L HA -0.009 4.331 4.340 -0.000 0.000 0.202 60 L C 0.981 177.731 176.870 -0.200 0.000 1.076 60 L CA 0.739 55.448 54.840 -0.218 0.000 0.761 60 L CB -0.252 41.638 42.059 -0.282 0.000 0.921 60 L HN 0.663 nan 8.230 nan 0.000 0.444 61 Q N -1.737 117.910 119.800 -0.254 0.000 2.687 61 Q HA 0.374 4.714 4.340 -0.000 0.000 0.295 61 Q C -2.903 172.942 176.000 -0.259 0.000 0.920 61 Q CA -1.920 53.763 55.803 -0.201 0.000 0.766 61 Q CB 1.324 29.975 28.738 -0.145 0.000 1.467 61 Q HN -0.270 nan 8.270 nan 0.000 0.415 62 P HA 0.013 nan 4.420 nan 0.000 0.263 62 P C 0.616 177.820 177.300 -0.160 0.000 1.195 62 P CA 1.910 64.912 63.100 -0.163 0.000 0.762 62 P CB 0.442 32.092 31.700 -0.083 0.000 0.799 63 G N 2.609 111.302 108.800 -0.178 0.000 2.217 63 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 63 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 63 G C 0.246 175.084 174.900 -0.103 0.000 0.990 63 G CA -0.048 45.010 45.100 -0.070 0.000 0.627 63 G HN 0.749 nan 8.290 nan 0.000 0.522 64 R N -0.252 120.060 120.500 -0.313 0.000 2.502 64 R HA 0.658 4.998 4.340 -0.000 0.000 0.300 64 R C -1.272 174.761 176.300 -0.445 0.000 0.984 64 R CA -0.696 55.261 56.100 -0.238 0.000 0.882 64 R CB 0.896 31.095 30.300 -0.169 0.000 1.180 64 R HN 0.142 nan 8.270 nan 0.000 0.444 65 Y N 1.146 121.414 120.300 -0.053 0.000 2.524 65 Y HA 0.628 5.178 4.550 -0.000 0.000 0.344 65 Y C 0.070 175.939 175.900 -0.052 0.000 1.012 65 Y CA -0.864 57.207 58.100 -0.048 0.000 1.068 65 Y CB 2.391 40.848 38.460 -0.005 0.000 1.249 65 Y HN 0.643 nan 8.280 nan 0.000 0.468 66 A N 1.920 124.806 122.820 0.111 0.000 2.292 66 A HA 0.757 5.077 4.320 -0.000 0.000 0.319 66 A C -1.349 176.347 177.584 0.187 0.000 1.206 66 A CA -0.601 51.528 52.037 0.153 0.000 0.835 66 A CB 0.462 19.507 19.000 0.074 0.000 1.164 66 A HN 0.510 nan 8.150 nan 0.000 0.505 67 V N 3.807 123.853 119.914 0.220 0.000 2.483 67 V HA 0.380 4.500 4.120 -0.000 0.000 0.297 67 V C 0.040 176.251 176.094 0.195 0.000 1.027 67 V CA -0.555 61.851 62.300 0.177 0.000 0.855 67 V CB 1.517 33.433 31.823 0.155 0.000 0.995 67 V HN 0.950 nan 8.190 nan 0.000 0.424 68 R N 4.995 125.573 120.500 0.129 0.000 2.221 68 R HA 0.596 4.936 4.340 -0.000 0.000 0.327 68 R C -0.960 175.411 176.300 0.118 0.000 1.033 68 R CA -0.462 55.702 56.100 0.107 0.000 0.887 68 R CB 1.039 31.376 30.300 0.061 0.000 1.057 68 R HN 0.475 nan 8.270 nan 0.000 0.455 69 I N 2.112 122.778 120.570 0.160 0.000 2.406 69 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 69 I C 0.713 176.895 176.117 0.108 0.000 0.999 69 I CA -0.632 60.755 61.300 0.144 0.000 1.124 69 I CB 1.686 39.812 38.000 0.210 0.000 1.289 69 I HN 0.670 nan 8.210 nan 0.000 0.441 70 G N 7.239 116.084 108.800 0.075 0.000 2.327 70 G HA2 0.573 4.533 3.960 -0.000 0.000 0.302 70 G HA3 0.573 4.533 3.960 -0.000 0.000 0.302 70 G C -0.536 174.404 174.900 0.067 0.000 1.113 70 G CA -0.366 44.771 45.100 0.062 0.000 0.921 70 G HN 0.477 nan 8.290 nan 0.000 0.425 71 L N 2.448 123.713 121.223 0.071 0.000 2.296 71 L HA 0.507 4.847 4.340 -0.000 0.000 0.286 71 L C 0.935 177.853 176.870 0.079 0.000 1.023 71 L CA -0.999 53.888 54.840 0.077 0.000 0.812 71 L CB 1.886 43.998 42.059 0.088 0.000 1.223 71 L HN 0.599 nan 8.230 nan 0.000 0.421 72 A N 2.631 125.499 122.820 0.079 0.000 2.561 72 A HA 0.260 4.580 4.320 -0.000 0.000 0.251 72 A C 1.358 179.015 177.584 0.122 0.000 1.062 72 A CA 0.548 52.639 52.037 0.089 0.000 0.761 72 A CB 0.368 19.412 19.000 0.073 0.000 0.986 72 A HN 0.992 nan 8.150 nan 0.000 0.510 73 A N 3.278 126.195 122.820 0.161 0.000 2.024 73 A HA 0.081 4.401 4.320 -0.000 0.000 0.220 73 A C 2.360 180.076 177.584 0.220 0.000 1.164 73 A CA 2.175 54.368 52.037 0.260 0.000 0.643 73 A CB -0.747 18.471 19.000 0.363 0.000 0.806 73 A HN 1.765 nan 8.150 nan 0.000 0.451 74 A N -0.158 122.746 122.820 0.139 0.000 1.978 74 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 74 A C 2.402 180.048 177.584 0.104 0.000 1.170 74 A CA 2.484 54.580 52.037 0.099 0.000 0.636 74 A CB -1.332 17.707 19.000 0.065 0.000 0.810 74 A HN 0.851 nan 8.150 nan 0.000 0.448 75 T N -3.376 111.244 114.554 0.111 0.000 2.995 75 T HA 0.379 4.729 4.350 -0.000 0.000 0.269 75 T C 0.663 175.439 174.700 0.127 0.000 1.091 75 T CA 0.998 63.159 62.100 0.102 0.000 1.128 75 T CB -0.203 68.719 68.868 0.089 0.000 0.891 75 T HN 0.935 nan 8.240 nan 0.000 0.492 76 A N 2.555 125.481 122.820 0.176 0.000 2.646 76 A HA 0.704 5.024 4.320 -0.000 0.000 0.312 76 A C -2.906 174.872 177.584 0.323 0.000 1.245 76 A CA -1.791 50.378 52.037 0.221 0.000 0.755 76 A CB 0.904 20.025 19.000 0.201 0.000 1.132 76 A HN 0.240 nan 8.150 nan 0.000 0.458 77 P HA 0.236 nan 4.420 nan 0.000 0.271 77 P C 0.364 177.814 177.300 0.250 0.000 1.244 77 P CA -0.135 63.071 63.100 0.177 0.000 0.793 77 P CB 0.650 32.409 31.700 0.098 0.000 0.984 78 A N 1.190 124.036 122.820 0.043 0.000 3.030 78 A HA 0.098 4.418 4.320 -0.000 0.000 0.273 78 A C 0.315 177.941 177.584 0.070 0.000 1.841 78 A CA 0.580 52.541 52.037 -0.127 0.000 1.479 78 A CB -1.236 17.354 19.000 -0.683 0.000 1.048 78 A HN 0.343 nan 8.150 nan 0.000 0.612 79 E N 2.329 122.762 120.200 0.390 0.000 2.316 79 E HA 0.292 4.642 4.350 -0.000 0.000 0.254 79 E C -2.510 174.256 176.600 0.278 0.000 0.902 79 E CA -1.946 54.638 56.400 0.307 0.000 0.801 79 E CB 1.845 31.649 29.700 0.174 0.000 1.270 79 E HN 0.179 nan 8.360 nan 0.000 0.414 80 P HA -0.135 nan 4.420 nan 0.000 0.214 80 P C 1.183 178.424 177.300 -0.099 0.000 1.163 80 P CA 1.923 64.809 63.100 -0.356 0.000 0.889 80 P CB 0.247 31.311 31.700 -1.060 0.000 0.790 81 G N -0.316 108.452 108.800 -0.053 0.000 2.446 81 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 81 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 81 G C 1.758 176.703 174.900 0.075 0.000 1.168 81 G CA 1.098 46.210 45.100 0.019 0.000 0.771 81 G HN 0.273 nan 8.290 nan 0.000 0.551 82 Q N -0.216 119.642 119.800 0.097 0.000 2.119 82 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 82 Q C 2.320 178.410 176.000 0.149 0.000 0.972 82 Q CA 1.098 56.972 55.803 0.118 0.000 0.847 82 Q CB -0.464 28.348 28.738 0.123 0.000 0.903 82 Q HN 0.397 nan 8.270 nan 0.000 0.433 83 L N -0.468 120.872 121.223 0.194 0.000 2.017 83 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 83 L C 1.940 178.910 176.870 0.165 0.000 1.073 83 L CA 1.568 56.535 54.840 0.212 0.000 0.745 83 L CB -0.998 41.250 42.059 0.315 0.000 0.894 83 L HN 0.383 nan 8.230 nan 0.000 0.432 84 L N 0.256 121.578 121.223 0.166 0.000 2.012 84 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 84 L C 2.439 179.404 176.870 0.159 0.000 1.073 84 L CA 1.907 56.844 54.840 0.162 0.000 0.748 84 L CB -1.594 40.560 42.059 0.157 0.000 0.891 84 L HN 0.510 nan 8.230 nan 0.000 0.431 85 N N -0.803 117.974 118.700 0.127 0.000 2.037 85 N HA -0.245 4.495 4.740 -0.000 0.000 0.196 85 N C 1.709 177.289 175.510 0.118 0.000 1.034 85 N CA 1.976 55.090 53.050 0.106 0.000 0.861 85 N CB -0.148 38.389 38.487 0.084 0.000 1.039 85 N HN 0.157 nan 8.380 nan 0.000 0.427 86 M N -0.036 119.639 119.600 0.125 0.000 2.254 86 M HA 0.044 4.524 4.480 -0.000 0.000 0.265 86 M C 2.022 178.421 176.300 0.166 0.000 1.066 86 M CA 0.750 56.126 55.300 0.126 0.000 1.123 86 M CB -0.954 31.717 32.600 0.119 0.000 1.388 86 M HN 0.206 nan 8.290 nan 0.000 0.425 87 L N -2.559 118.773 121.223 0.183 0.000 2.072 87 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 87 L C 1.470 178.599 176.870 0.431 0.000 1.079 87 L CA 0.968 55.948 54.840 0.232 0.000 0.752 87 L CB -0.182 41.948 42.059 0.119 0.000 0.906 87 L HN 0.186 nan 8.230 nan 0.000 0.436 88 F N -1.014 119.013 119.950 0.128 0.000 3.083 88 F HA 0.308 4.835 4.527 -0.000 0.000 0.355 88 F C 1.539 177.387 175.800 0.080 0.000 1.194 88 F CA -0.173 57.906 58.000 0.131 0.000 1.027 88 F CB -0.394 38.673 39.000 0.112 0.000 1.386 88 F HN -0.138 nan 8.300 nan 0.000 0.513 89 G N 1.290 110.135 108.800 0.076 0.000 2.586 89 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 89 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 89 G C 1.604 176.426 174.900 -0.130 0.000 1.216 89 G CA 1.489 46.578 45.100 -0.019 0.000 0.786 89 G HN 0.302 nan 8.290 nan 0.000 0.583 90 N N 0.187 118.820 118.700 -0.113 0.000 2.250 90 N HA 0.006 4.746 4.740 -0.000 0.000 0.181 90 N C 2.481 177.851 175.510 -0.234 0.000 1.017 90 N CA 0.954 53.922 53.050 -0.137 0.000 0.866 90 N CB -0.239 38.203 38.487 -0.075 0.000 0.985 90 N HN 0.206 nan 8.380 nan 0.000 0.429 91 S N 0.313 115.832 115.700 -0.302 0.000 2.474 91 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 91 S C 1.984 176.150 174.600 -0.724 0.000 0.997 91 S CA 0.909 58.904 58.200 -0.343 0.000 0.949 91 S CB -0.239 62.906 63.200 -0.092 0.000 0.766 91 S HN 0.542 nan 8.310 nan 0.000 0.517 92 S N 1.733 116.708 115.700 -1.209 0.000 2.442 92 S HA -0.004 4.466 4.470 -0.000 0.000 0.236 92 S C 1.579 175.952 174.600 -0.380 0.000 1.007 92 S CA 0.596 58.127 58.200 -1.115 0.000 0.965 92 S CB -0.479 62.258 63.200 -0.771 0.000 0.773 92 S HN 0.427 nan 8.310 nan 0.000 0.504 93 I N 1.043 121.448 120.570 -0.275 0.000 2.928 93 I HA 0.086 4.256 4.170 -0.000 0.000 0.266 93 I C 0.952 177.019 176.117 -0.084 0.000 1.234 93 I CA 0.522 61.743 61.300 -0.132 0.000 1.483 93 I CB -1.212 36.727 38.000 -0.102 0.000 1.097 93 I HN 0.406 nan 8.210 nan 0.000 0.455 94 Q N 2.270 122.014 119.800 -0.093 0.000 2.299 94 Q HA 0.164 4.504 4.340 -0.000 0.000 0.246 94 Q C -1.393 174.616 176.000 0.014 0.000 0.935 94 Q CA -1.250 54.535 55.803 -0.030 0.000 0.887 94 Q CB 1.010 29.735 28.738 -0.021 0.000 1.223 94 Q HN 0.135 nan 8.270 nan 0.000 0.439 95 P HA 0.006 nan 4.420 nan 0.000 0.257 95 P C 0.015 177.356 177.300 0.068 0.000 1.241 95 P CA 0.502 63.631 63.100 0.048 0.000 0.816 95 P CB 0.497 32.217 31.700 0.033 0.000 1.150 96 D N -0.424 120.019 120.400 0.072 0.000 2.424 96 D HA 0.148 4.787 4.640 -0.000 0.000 0.220 96 D C 0.364 176.735 176.300 0.119 0.000 1.150 96 D CA -0.520 53.529 54.000 0.083 0.000 0.831 96 D CB -0.040 40.798 40.800 0.064 0.000 0.981 96 D HN 0.222 nan 8.370 nan 0.000 0.500 97 I N -0.194 120.472 120.570 0.160 0.000 2.686 97 I HA 0.655 4.825 4.170 -0.000 0.000 0.295 97 I C -1.899 174.395 176.117 0.295 0.000 1.114 97 I CA -0.955 60.483 61.300 0.231 0.000 1.038 97 I CB 2.089 40.240 38.000 0.252 0.000 1.238 97 I HN -0.004 nan 8.210 nan 0.000 0.420 98 A N 6.448 129.392 122.820 0.207 0.000 2.414 98 A HA 0.665 4.985 4.320 -0.000 0.000 0.306 98 A C -1.693 175.759 177.584 -0.220 0.000 1.054 98 A CA -0.557 51.486 52.037 0.010 0.000 0.724 98 A CB 1.668 20.652 19.000 -0.026 0.000 1.267 98 A HN 0.668 nan 8.150 nan 0.000 0.418 99 L N 2.570 123.374 121.223 -0.698 0.000 2.278 99 L HA 0.626 4.966 4.340 -0.000 0.000 0.287 99 L C 0.868 177.356 176.870 -0.636 0.000 1.072 99 L CA 0.818 55.174 54.840 -0.806 0.000 0.819 99 L CB 0.940 42.333 42.059 -1.110 0.000 1.176 99 L HN 0.866 nan 8.230 nan 0.000 0.435 100 A N 3.407 125.839 122.820 -0.647 0.000 1.963 100 A HA 0.282 4.602 4.320 -0.000 0.000 0.207 100 A C 0.342 177.649 177.584 -0.462 0.000 1.243 100 A CA 0.468 52.130 52.037 -0.624 0.000 0.728 100 A CB -0.057 18.328 19.000 -1.025 0.000 0.895 100 A HN 0.682 nan 8.150 nan 0.000 0.467 101 D N -2.571 117.571 120.400 -0.430 0.000 2.622 101 D HA 0.530 5.170 4.640 -0.000 0.000 0.255 101 D C -1.828 174.286 176.300 -0.309 0.000 1.246 101 D CA -0.130 53.676 54.000 -0.323 0.000 0.795 101 D CB 2.202 42.860 40.800 -0.237 0.000 1.369 101 D HN 0.038 nan 8.370 nan 0.000 0.425 102 V N 1.344 121.116 119.914 -0.235 0.000 2.668 102 V HA 0.391 4.511 4.120 -0.000 0.000 0.304 102 V C -0.803 175.223 176.094 -0.114 0.000 1.071 102 V CA -0.797 61.389 62.300 -0.189 0.000 0.894 102 V CB 1.913 33.619 31.823 -0.195 0.000 1.008 102 V HN 0.437 nan 8.190 nan 0.000 0.425 103 E N 5.034 125.183 120.200 -0.086 0.000 2.073 103 E HA 0.549 4.898 4.350 -0.000 0.000 0.269 103 E C -1.139 175.430 176.600 -0.052 0.000 0.917 103 E CA -0.411 55.968 56.400 -0.035 0.000 0.757 103 E CB 1.773 31.460 29.700 -0.022 0.000 1.111 103 E HN 0.502 nan 8.360 nan 0.000 0.410 104 L N 4.471 125.667 121.223 -0.044 0.000 2.307 104 L HA 0.397 4.737 4.340 -0.000 0.000 0.282 104 L C -2.048 174.813 176.870 -0.015 0.000 1.051 104 L CA -2.268 52.501 54.840 -0.117 0.000 0.804 104 L CB 0.528 42.496 42.059 -0.151 0.000 1.197 104 L HN 0.236 nan 8.230 nan 0.000 0.431 105 P HA -0.045 nan 4.420 nan 0.000 0.265 105 P C 0.324 177.654 177.300 0.050 0.000 1.187 105 P CA 0.057 63.219 63.100 0.103 0.000 0.766 105 P CB 0.801 32.627 31.700 0.209 0.000 0.820 106 A N 3.474 126.313 122.820 0.033 0.000 1.986 106 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 106 A C 1.933 179.507 177.584 -0.016 0.000 1.171 106 A CA 1.896 53.928 52.037 -0.007 0.000 0.640 106 A CB -1.500 17.504 19.000 0.007 0.000 0.811 106 A HN 0.833 nan 8.150 nan 0.000 0.451 107 H N -2.945 116.117 119.070 -0.012 0.000 2.489 107 H HA -0.146 4.410 4.556 -0.000 0.000 0.293 107 H C 1.698 176.912 175.328 -0.190 0.000 1.066 107 H CA 1.569 57.546 56.048 -0.119 0.000 1.305 107 H CB -0.505 29.150 29.762 -0.179 0.000 1.386 107 H HN 0.585 nan 8.280 nan 0.000 0.551 108 Y N 0.808 120.801 120.300 -0.511 0.000 2.220 108 Y HA -0.093 4.457 4.550 -0.000 0.000 0.291 108 Y C 2.575 178.404 175.900 -0.118 0.000 1.129 108 Y CA 0.673 58.571 58.100 -0.336 0.000 1.161 108 Y CB -0.125 38.232 38.460 -0.173 0.000 0.997 108 Y HN 0.109 nan 8.280 nan 0.000 0.522 109 L N -0.742 120.502 121.223 0.034 0.000 2.083 109 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 109 L C 2.289 179.156 176.870 -0.006 0.000 1.083 109 L CA 1.935 56.751 54.840 -0.039 0.000 0.752 109 L CB -1.218 40.672 42.059 -0.281 0.000 0.899 109 L HN 0.159 nan 8.230 nan 0.000 0.433 110 T N -0.834 113.700 114.554 -0.033 0.000 2.857 110 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 110 T C 2.012 176.705 174.700 -0.011 0.000 1.048 110 T CA 1.076 63.166 62.100 -0.016 0.000 1.139 110 T CB -0.318 68.538 68.868 -0.019 0.000 0.874 110 T HN 0.381 nan 8.240 nan 0.000 0.455 111 A N 1.212 123.981 122.820 -0.085 0.000 1.877 111 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 111 A C 1.934 179.492 177.584 -0.044 0.000 1.186 111 A CA 1.348 53.293 52.037 -0.153 0.000 0.620 111 A CB -0.931 17.850 19.000 -0.365 0.000 0.822 111 A HN 0.426 nan 8.150 nan 0.000 0.443 112 F N -0.854 119.183 119.950 0.145 0.000 2.163 112 F HA 0.225 4.752 4.527 0.000 0.000 0.297 112 F C 2.349 178.305 175.800 0.260 0.000 1.094 112 F CA 0.957 59.085 58.000 0.213 0.000 1.290 112 F CB -0.761 38.335 39.000 0.160 0.000 1.017 112 F HN 0.430 nan 8.300 nan 0.000 0.483 113 G N -0.684 108.300 108.800 0.306 0.000 2.225 113 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.254 113 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.254 113 G C 1.015 176.024 174.900 0.182 0.000 0.988 113 G CA 0.312 45.529 45.100 0.195 0.000 0.625 113 G HN 1.109 nan 8.290 nan 0.000 0.527 114 G N -0.024 108.919 108.800 0.238 0.000 2.641 114 G HA2 0.023 3.983 3.960 -0.000 0.000 0.254 114 G HA3 0.023 3.983 3.960 -0.000 0.000 0.254 114 G C -1.813 173.191 174.900 0.173 0.000 1.315 114 G CA 0.301 45.524 45.100 0.206 0.000 0.907 114 G HN 1.028 nan 8.290 nan 0.000 0.572 115 P HA 0.263 nan 4.420 nan 0.000 0.267 115 P C 0.660 178.014 177.300 0.089 0.000 1.205 115 P CA -0.213 62.960 63.100 0.121 0.000 0.765 115 P CB 0.697 32.467 31.700 0.116 0.000 0.828 116 R N 2.604 123.143 120.500 0.066 0.000 2.193 116 R HA 0.041 4.381 4.340 -0.000 0.000 0.213 116 R C 1.279 177.604 176.300 0.042 0.000 1.055 116 R CA 0.789 56.916 56.100 0.045 0.000 0.995 116 R CB -1.089 29.224 30.300 0.022 0.000 0.893 116 R HN 0.311 nan 8.270 nan 0.000 0.459 117 V N -0.864 119.079 119.914 0.048 0.000 2.854 117 V HA 0.300 4.420 4.120 -0.000 0.000 0.236 117 V C 1.106 177.231 176.094 0.052 0.000 1.157 117 V CA 0.835 63.162 62.300 0.044 0.000 1.187 117 V CB -0.478 31.370 31.823 0.042 0.000 0.949 117 V HN 0.518 nan 8.190 nan 0.000 0.488 118 G N 0.469 109.306 108.800 0.063 0.000 2.796 118 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 118 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 118 G C 0.304 175.240 174.900 0.060 0.000 1.381 118 G CA 0.123 45.264 45.100 0.068 0.000 0.867 118 G HN 0.469 nan 8.290 nan 0.000 0.552 119 L N 0.244 121.503 121.223 0.059 0.000 2.012 119 L HA 0.165 4.505 4.340 -0.000 0.000 0.210 119 L C 3.140 180.038 176.870 0.047 0.000 1.073 119 L CA 3.570 58.441 54.840 0.053 0.000 0.748 119 L CB -1.109 40.981 42.059 0.052 0.000 0.891 119 L HN 1.622 nan 8.230 nan 0.000 0.431 120 A N -0.595 122.252 122.820 0.045 0.000 1.898 120 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 120 A C 2.339 179.946 177.584 0.038 0.000 1.181 120 A CA 1.426 53.487 52.037 0.040 0.000 0.620 120 A CB -1.563 17.460 19.000 0.037 0.000 0.819 120 A HN 0.549 nan 8.150 nan 0.000 0.442 121 G N -0.109 108.715 108.800 0.040 0.000 2.421 121 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 121 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 121 G C 1.595 176.518 174.900 0.038 0.000 1.171 121 G CA 0.981 46.104 45.100 0.037 0.000 0.775 121 G HN 0.521 nan 8.290 nan 0.000 0.543 122 I N 0.077 120.672 120.570 0.042 0.000 2.226 122 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 122 I C 2.897 179.038 176.117 0.040 0.000 1.100 122 I CA 1.121 62.446 61.300 0.043 0.000 1.374 122 I CB -0.126 37.902 38.000 0.047 0.000 1.057 122 I HN 0.112 nan 8.210 nan 0.000 0.413 123 R N -0.041 120.483 120.500 0.040 0.000 2.096 123 R HA -0.180 4.159 4.340 -0.000 0.000 0.240 123 R C 2.186 178.506 176.300 0.034 0.000 1.139 123 R CA 2.308 58.430 56.100 0.037 0.000 0.952 123 R CB -0.744 29.578 30.300 0.037 0.000 0.854 123 R HN 0.432 nan 8.270 nan 0.000 0.436 124 T N 1.523 116.097 114.554 0.032 0.000 2.777 124 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 124 T C 1.901 176.618 174.700 0.029 0.000 1.040 124 T CA 0.951 63.068 62.100 0.029 0.000 1.141 124 T CB -0.111 68.773 68.868 0.027 0.000 0.868 124 T HN 0.133 nan 8.240 nan 0.000 0.444 125 L N 1.221 122.463 121.223 0.031 0.000 2.131 125 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 125 L C 2.857 179.746 176.870 0.032 0.000 1.092 125 L CA 1.512 56.371 54.840 0.031 0.000 0.759 125 L CB -0.731 41.348 42.059 0.034 0.000 0.903 125 L HN 0.451 nan 8.230 nan 0.000 0.435 126 T N -4.899 109.676 114.554 0.034 0.000 3.044 126 T HA 0.240 4.590 4.350 -0.000 0.000 0.250 126 T C 1.457 176.175 174.700 0.031 0.000 1.081 126 T CA 0.459 62.580 62.100 0.035 0.000 1.040 126 T CB 0.711 69.602 68.868 0.039 0.000 0.962 126 T HN 0.405 nan 8.240 nan 0.000 0.506 127 G N 1.433 110.251 108.800 0.030 0.000 2.159 127 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.256 127 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.256 127 G C 0.259 175.176 174.900 0.029 0.000 0.977 127 G CA -0.160 44.956 45.100 0.027 0.000 0.652 127 G HN 1.253 nan 8.290 nan 0.000 0.531 128 A N 0.141 122.981 122.820 0.033 0.000 2.527 128 A HA 0.670 4.990 4.320 -0.000 0.000 0.313 128 A C 1.231 178.835 177.584 0.035 0.000 1.410 128 A CA 0.754 52.812 52.037 0.035 0.000 1.060 128 A CB 0.190 19.213 19.000 0.040 0.000 1.137 128 A HN 0.532 nan 8.150 nan 0.000 0.542 129 Q N 1.255 121.074 119.800 0.032 0.000 2.046 129 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 129 Q C 1.847 177.867 176.000 0.034 0.000 0.975 129 Q CA 2.010 57.831 55.803 0.031 0.000 0.836 129 Q CB 0.028 28.782 28.738 0.026 0.000 0.896 129 Q HN 0.955 nan 8.270 nan 0.000 0.428 130 S N -0.966 114.757 115.700 0.039 0.000 2.648 130 S HA 0.099 4.569 4.470 -0.000 0.000 0.270 130 S C 0.475 175.110 174.600 0.057 0.000 1.082 130 S CA -0.717 57.510 58.200 0.045 0.000 1.116 130 S CB 0.053 63.278 63.200 0.042 0.000 1.040 130 S HN 0.262 nan 8.310 nan 0.000 0.572 131 R N 1.851 122.385 120.500 0.056 0.000 2.827 131 R HA 0.696 5.036 4.340 -0.000 0.000 0.269 131 R C 0.510 176.844 176.300 0.056 0.000 1.048 131 R CA 0.032 56.171 56.100 0.066 0.000 1.173 131 R CB -0.042 30.291 30.300 0.054 0.000 1.070 131 R HN 0.239 nan 8.270 nan 0.000 0.498 132 A N 1.803 124.653 122.820 0.049 0.000 2.429 132 A HA 0.321 4.641 4.320 -0.000 0.000 0.242 132 A C -0.258 177.348 177.584 0.036 0.000 1.088 132 A CA -0.409 51.645 52.037 0.029 0.000 0.784 132 A CB 0.161 19.157 19.000 -0.008 0.000 1.038 132 A HN 0.501 nan 8.150 nan 0.000 0.501 133 L N -0.228 121.021 121.223 0.043 0.000 2.331 133 L HA 0.684 5.024 4.340 -0.000 0.000 0.268 133 L C 0.898 177.827 176.870 0.099 0.000 1.015 133 L CA 0.142 55.019 54.840 0.061 0.000 0.807 133 L CB 1.903 43.993 42.059 0.052 0.000 1.293 133 L HN 0.884 nan 8.230 nan 0.000 0.451 134 T N -1.471 113.158 114.554 0.125 0.000 2.893 134 T HA 0.947 5.297 4.350 -0.000 0.000 0.291 134 T C -0.822 173.927 174.700 0.082 0.000 1.028 134 T CA -0.615 61.601 62.100 0.194 0.000 0.995 134 T CB 1.895 70.965 68.868 0.336 0.000 1.051 134 T HN 0.853 nan 8.240 nan 0.000 0.470 135 A N 1.343 124.174 122.820 0.017 0.000 2.556 135 A HA 0.922 5.242 4.320 -0.000 0.000 0.294 135 A C -0.406 177.122 177.584 -0.093 0.000 1.091 135 A CA -0.847 51.177 52.037 -0.022 0.000 0.704 135 A CB 1.920 20.913 19.000 -0.011 0.000 1.300 135 A HN 1.086 nan 8.150 nan 0.000 0.406 136 S N -1.091 114.571 115.700 -0.064 0.000 2.627 136 S HA 0.820 5.290 4.470 -0.000 0.000 0.283 136 S C -0.599 173.984 174.600 -0.028 0.000 1.127 136 S CA 0.203 58.352 58.200 -0.084 0.000 0.863 136 S CB 1.681 64.819 63.200 -0.104 0.000 1.121 136 S HN 2.063 nan 8.310 nan 0.000 0.479 137 A N 2.150 124.953 122.820 -0.029 0.000 2.320 137 A HA 0.769 5.089 4.320 -0.000 0.000 0.334 137 A C -0.995 176.589 177.584 0.000 0.000 1.147 137 A CA -0.682 51.359 52.037 0.008 0.000 0.820 137 A CB 0.550 19.559 19.000 0.016 0.000 1.218 137 A HN 0.781 nan 8.150 nan 0.000 0.482 138 L N 2.020 123.256 121.223 0.021 0.000 2.283 138 L HA 0.399 4.739 4.340 -0.000 0.000 0.287 138 L C -0.026 176.834 176.870 -0.016 0.000 1.073 138 L CA 0.130 54.969 54.840 -0.001 0.000 0.822 138 L CB 0.319 42.386 42.059 0.014 0.000 1.186 138 L HN 0.710 nan 8.230 nan 0.000 0.436 139 K N 4.136 124.517 120.400 -0.033 0.000 2.532 139 K HA 0.604 4.924 4.320 -0.000 0.000 0.265 139 K C -2.602 173.964 176.600 -0.056 0.000 0.948 139 K CA -1.563 54.698 56.287 -0.044 0.000 0.842 139 K CB 2.378 34.859 32.500 -0.032 0.000 1.392 139 K HN 0.312 nan 8.250 nan 0.000 0.436 140 P HA 0.108 nan 4.420 nan 0.000 0.287 140 P C -0.426 176.796 177.300 -0.129 0.000 1.270 140 P CA -0.595 62.451 63.100 -0.089 0.000 0.844 140 P CB 1.064 32.708 31.700 -0.093 0.000 1.068 141 Q N 0.117 119.832 119.800 -0.142 0.000 2.541 141 Q HA 0.005 4.345 4.340 -0.000 0.000 0.215 141 Q C 1.470 177.235 176.000 -0.392 0.000 0.977 141 Q CA 1.283 56.979 55.803 -0.179 0.000 0.934 141 Q CB -0.878 27.791 28.738 -0.116 0.000 0.988 141 Q HN 0.602 nan 8.270 nan 0.000 0.521 142 G N 0.952 109.476 108.800 -0.461 0.000 2.598 142 G HA2 0.040 4.000 3.960 -0.000 0.000 0.215 142 G HA3 0.040 4.000 3.960 -0.000 0.000 0.215 142 G C 0.446 175.015 174.900 -0.553 0.000 1.131 142 G CA -0.189 44.443 45.100 -0.779 0.000 0.785 142 G HN 0.210 nan 8.290 nan 0.000 0.539 143 L N 1.644 122.685 121.223 -0.303 0.000 2.436 143 L HA 0.278 4.618 4.340 -0.000 0.000 0.265 143 L C 1.183 177.990 176.870 -0.104 0.000 1.168 143 L CA -0.631 54.109 54.840 -0.165 0.000 0.815 143 L CB 1.157 43.146 42.059 -0.116 0.000 1.109 143 L HN 0.181 nan 8.230 nan 0.000 0.462 144 S N 1.644 117.310 115.700 -0.056 0.000 2.593 144 S HA 0.222 4.692 4.470 -0.000 0.000 0.269 144 S C -1.702 172.879 174.600 -0.031 0.000 1.334 144 S CA -1.119 57.070 58.200 -0.018 0.000 1.015 144 S CB 0.826 64.020 63.200 -0.009 0.000 0.912 144 S HN 0.473 nan 8.310 nan 0.000 0.541 145 P HA -0.097 nan 4.420 nan 0.000 0.219 145 P C 1.356 178.621 177.300 -0.058 0.000 1.146 145 P CA 1.754 64.829 63.100 -0.041 0.000 0.808 145 P CB -0.332 31.348 31.700 -0.033 0.000 0.779 146 A N 0.428 123.219 122.820 -0.048 0.000 1.897 146 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 146 A C 2.454 180.002 177.584 -0.060 0.000 1.181 146 A CA 1.829 53.832 52.037 -0.056 0.000 0.620 146 A CB -1.419 17.554 19.000 -0.045 0.000 0.821 146 A HN 0.209 nan 8.150 nan 0.000 0.443 147 A N -0.184 122.604 122.820 -0.054 0.000 1.930 147 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 147 A C 2.142 179.689 177.584 -0.061 0.000 1.175 147 A CA 1.360 53.365 52.037 -0.055 0.000 0.627 147 A CB -0.571 18.397 19.000 -0.053 0.000 0.815 147 A HN 0.461 nan 8.150 nan 0.000 0.443 148 L N -0.764 120.417 121.223 -0.069 0.000 2.046 148 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 148 L C 3.109 179.920 176.870 -0.099 0.000 1.077 148 L CA 1.083 55.876 54.840 -0.078 0.000 0.747 148 L CB -0.622 41.391 42.059 -0.076 0.000 0.896 148 L HN 0.429 nan 8.230 nan 0.000 0.432 149 A N -0.645 122.112 122.820 -0.105 0.000 1.908 149 A HA -0.260 4.059 4.320 -0.000 0.000 0.218 149 A C 2.562 180.104 177.584 -0.069 0.000 1.181 149 A CA 2.148 54.115 52.037 -0.116 0.000 0.627 149 A CB -0.765 18.169 19.000 -0.110 0.000 0.818 149 A HN 0.398 nan 8.150 nan 0.000 0.445 150 S N -0.518 115.146 115.700 -0.059 0.000 2.368 150 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 150 S C 1.921 176.525 174.600 0.006 0.000 1.030 150 S CA 1.495 59.676 58.200 -0.031 0.000 0.999 150 S CB -0.440 62.734 63.200 -0.044 0.000 0.844 150 S HN 0.357 nan 8.310 nan 0.000 0.459 151 I N 2.317 122.873 120.570 -0.024 0.000 2.179 151 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 151 I C 2.956 179.057 176.117 -0.026 0.000 1.088 151 I CA 1.392 62.677 61.300 -0.026 0.000 1.357 151 I CB -2.026 35.949 38.000 -0.043 0.000 1.051 151 I HN 0.403 nan 8.210 nan 0.000 0.409 152 A N -0.071 122.717 122.820 -0.053 0.000 1.908 152 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 152 A C 2.301 179.866 177.584 -0.032 0.000 1.181 152 A CA 2.257 54.248 52.037 -0.077 0.000 0.627 152 A CB -1.158 17.734 19.000 -0.181 0.000 0.818 152 A HN 0.561 nan 8.150 nan 0.000 0.445 153 H N -0.407 118.610 119.070 -0.090 0.000 2.321 153 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 153 H C 2.198 177.499 175.328 -0.045 0.000 1.087 153 H CA 2.272 58.281 56.048 -0.065 0.000 1.319 153 H CB -0.134 29.591 29.762 -0.060 0.000 1.379 153 H HN 0.614 nan 8.280 nan 0.000 0.501 154 Q N -0.228 119.587 119.800 0.025 0.000 2.084 154 Q HA -0.108 4.231 4.340 -0.000 0.000 0.202 154 Q C 2.510 178.474 176.000 -0.059 0.000 0.978 154 Q CA 1.577 57.367 55.803 -0.022 0.000 0.844 154 Q CB -0.008 28.736 28.738 0.010 0.000 0.898 154 Q HN 0.467 nan 8.270 nan 0.000 0.426 155 L N 0.139 121.330 121.223 -0.052 0.000 2.017 155 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 155 L C 2.539 179.373 176.870 -0.060 0.000 1.073 155 L CA 1.113 55.922 54.840 -0.051 0.000 0.745 155 L CB -0.658 41.373 42.059 -0.046 0.000 0.894 155 L HN 0.219 nan 8.230 nan 0.000 0.432 156 A N -0.189 122.579 122.820 -0.085 0.000 1.972 156 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 156 A C 2.287 179.801 177.584 -0.116 0.000 1.169 156 A CA 1.259 53.242 52.037 -0.090 0.000 0.635 156 A CB -0.703 18.235 19.000 -0.103 0.000 0.810 156 A HN 0.365 nan 8.150 nan 0.000 0.446 157 L N -0.770 120.344 121.223 -0.182 0.000 2.187 157 L HA -0.157 4.182 4.340 -0.000 0.000 0.213 157 L C 2.510 179.335 176.870 -0.074 0.000 1.100 157 L CA 1.054 55.797 54.840 -0.162 0.000 0.765 157 L CB -0.436 41.505 42.059 -0.198 0.000 0.904 157 L HN 0.528 nan 8.230 nan 0.000 0.437 158 G N -1.734 107.037 108.800 -0.049 0.000 2.813 158 G HA2 0.178 4.138 3.960 -0.000 0.000 0.209 158 G HA3 0.178 4.138 3.960 -0.000 0.000 0.209 158 G C 1.176 176.082 174.900 0.011 0.000 1.150 158 G CA 0.518 45.612 45.100 -0.010 0.000 0.785 158 G HN 0.526 nan 8.290 nan 0.000 0.535 159 G N -1.073 107.727 108.800 -0.000 0.000 2.141 159 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.231 159 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.231 159 G C 0.303 175.227 174.900 0.039 0.000 0.984 159 G CA -0.030 45.080 45.100 0.017 0.000 0.660 159 G HN 0.688 nan 8.290 nan 0.000 0.525 160 V N 1.615 121.550 119.914 0.036 0.000 2.617 160 V HA 0.085 4.204 4.120 -0.000 0.000 0.304 160 V C 1.586 177.706 176.094 0.042 0.000 1.040 160 V CA 0.871 63.200 62.300 0.047 0.000 1.149 160 V CB 0.896 32.727 31.823 0.014 0.000 0.914 160 V HN 0.364 nan 8.190 nan 0.000 0.487 161 D N 2.513 122.946 120.400 0.056 0.000 2.123 161 D HA -0.008 4.632 4.640 -0.000 0.000 0.200 161 D C 0.317 176.647 176.300 0.050 0.000 0.976 161 D CA 1.196 55.226 54.000 0.050 0.000 0.831 161 D CB 0.330 41.163 40.800 0.055 0.000 0.974 161 D HN 0.283 nan 8.370 nan 0.000 0.469 162 L N 0.740 121.992 121.223 0.049 0.000 2.438 162 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 162 L C -1.380 175.527 176.870 0.062 0.000 0.972 162 L CA -0.621 54.254 54.840 0.059 0.000 0.831 162 L CB 2.020 44.111 42.059 0.052 0.000 1.273 162 L HN -0.193 nan 8.230 nan 0.000 0.405 163 I N 5.325 125.959 120.570 0.107 0.000 2.362 163 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 163 I C -0.318 175.933 176.117 0.222 0.000 0.994 163 I CA -0.642 60.741 61.300 0.139 0.000 1.158 163 I CB 1.362 39.441 38.000 0.132 0.000 1.315 163 I HN 0.612 nan 8.210 nan 0.000 0.451 164 K N 4.105 124.593 120.400 0.146 0.000 2.267 164 K HA 0.522 4.842 4.320 -0.000 0.000 0.246 164 K C -1.088 175.598 176.600 0.143 0.000 0.954 164 K CA -0.946 55.407 56.287 0.111 0.000 0.824 164 K CB 1.883 34.421 32.500 0.063 0.000 1.167 164 K HN 0.215 nan 8.250 nan 0.000 0.431 165 D N 1.819 122.291 120.400 0.119 0.000 2.423 165 D HA -0.052 4.588 4.640 -0.000 0.000 0.238 165 D C -0.269 176.058 176.300 0.046 0.000 1.142 165 D CA 0.336 54.398 54.000 0.103 0.000 0.884 165 D CB 0.598 41.442 40.800 0.073 0.000 1.199 165 D HN 0.549 nan 8.370 nan 0.000 0.438 166 D N 0.465 120.876 120.400 0.019 0.000 2.571 166 D HA -0.165 4.475 4.640 -0.000 0.000 0.231 166 D C 1.235 177.488 176.300 -0.079 0.000 1.133 166 D CA 0.253 54.241 54.000 -0.020 0.000 0.862 166 D CB 0.474 41.240 40.800 -0.057 0.000 1.179 166 D HN 0.585 nan 8.370 nan 0.000 0.474 167 H N 1.315 120.273 119.070 -0.186 0.000 2.521 167 H HA 0.091 4.647 4.556 0.000 0.000 0.286 167 H C 1.600 176.822 175.328 -0.176 0.000 1.034 167 H CA 1.237 57.071 56.048 -0.356 0.000 1.278 167 H CB 0.007 29.152 29.762 -1.029 0.000 1.386 167 H HN 0.364 nan 8.280 nan 0.000 0.567 168 G N 0.709 109.027 108.800 -0.804 0.000 2.650 168 G HA2 0.040 4.000 3.960 -0.000 0.000 0.214 168 G HA3 0.040 4.000 3.960 -0.000 0.000 0.214 168 G C 0.415 175.199 174.900 -0.193 0.000 1.136 168 G CA -0.235 44.540 45.100 -0.542 0.000 0.789 168 G HN 0.318 nan 8.290 nan 0.000 0.536 169 L N 1.008 122.158 121.223 -0.122 0.000 2.360 169 L HA 0.509 4.849 4.340 -0.000 0.000 0.276 169 L C 0.882 177.777 176.870 0.042 0.000 1.121 169 L CA -0.340 54.495 54.840 -0.009 0.000 0.845 169 L CB 1.537 43.606 42.059 0.016 0.000 1.143 169 L HN 0.184 nan 8.230 nan 0.000 0.452 170 A N 2.512 125.382 122.820 0.082 0.000 2.218 170 A HA 0.274 4.594 4.320 -0.000 0.000 0.198 170 A C 0.027 177.712 177.584 0.168 0.000 1.857 170 A CA -0.002 52.101 52.037 0.111 0.000 1.620 170 A CB 0.227 19.261 19.000 0.057 0.000 1.424 170 A HN 0.547 nan 8.150 nan 0.000 0.562 171 D N 0.007 120.479 120.400 0.120 0.000 2.819 171 D HA 0.350 4.990 4.640 -0.000 0.000 0.326 171 D C -0.680 175.672 176.300 0.085 0.000 1.408 171 D CA -0.162 53.915 54.000 0.128 0.000 0.811 171 D CB 0.029 40.885 40.800 0.093 0.000 1.148 171 D HN 0.313 nan 8.370 nan 0.000 0.457 172 Q N 0.055 119.914 119.800 0.097 0.000 2.392 172 Q HA 0.461 4.801 4.340 -0.000 0.000 0.262 172 Q C 1.439 177.460 176.000 0.035 0.000 1.003 172 Q CA 0.276 56.110 55.803 0.052 0.000 0.888 172 Q CB 1.113 29.939 28.738 0.147 0.000 1.260 172 Q HN 0.171 nan 8.270 nan 0.000 0.435 173 A N 2.260 125.031 122.820 -0.081 0.000 1.948 173 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 173 A C 1.361 178.959 177.584 0.024 0.000 1.177 173 A CA 1.384 53.384 52.037 -0.062 0.000 0.636 173 A CB -0.703 18.217 19.000 -0.134 0.000 0.815 173 A HN 0.790 nan 8.150 nan 0.000 0.449 174 F N 0.846 120.799 119.950 0.005 0.000 2.079 174 F HA -0.231 4.295 4.527 -0.001 0.000 0.296 174 F C 1.610 177.409 175.800 -0.001 0.000 1.084 174 F CA 1.515 59.515 58.000 -0.000 0.000 1.236 174 F CB -0.608 38.390 39.000 -0.002 0.000 0.984 174 F HN 0.431 nan 8.300 nan 0.000 0.488 175 S N -2.757 113.080 115.700 0.228 0.000 2.828 175 S HA 0.347 4.817 4.470 -0.000 0.000 0.149 175 S C -2.890 171.771 174.600 0.101 0.000 0.924 175 S CA -1.323 56.949 58.200 0.120 0.000 1.044 175 S CB 0.797 64.045 63.200 0.081 0.000 1.595 175 S HN -0.216 nan 8.310 nan 0.000 0.454 176 P HA 0.141 nan 4.420 nan 0.000 0.266 176 P C 0.847 178.219 177.300 0.120 0.000 1.193 176 P CA -0.398 62.766 63.100 0.106 0.000 0.770 176 P CB 0.235 31.983 31.700 0.082 0.000 0.836 177 F N 3.517 123.491 119.950 0.040 0.000 2.087 177 F HA -0.329 4.198 4.527 -0.000 0.000 0.299 177 F C 2.124 177.953 175.800 0.048 0.000 1.100 177 F CA 2.487 60.513 58.000 0.043 0.000 1.226 177 F CB -0.745 38.273 39.000 0.029 0.000 0.983 177 F HN 0.357 nan 8.300 nan 0.000 0.479 178 A N -0.087 122.850 122.820 0.195 0.000 1.865 178 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 178 A C 1.988 179.559 177.584 -0.021 0.000 1.191 178 A CA 1.989 54.087 52.037 0.100 0.000 0.623 178 A CB -1.009 18.070 19.000 0.132 0.000 0.826 178 A HN 0.478 nan 8.150 nan 0.000 0.444 179 E N -0.695 119.503 120.200 -0.002 0.000 2.085 179 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 179 E C 2.195 178.760 176.600 -0.058 0.000 0.994 179 E CA 1.510 57.898 56.400 -0.019 0.000 0.801 179 E CB -0.231 29.471 29.700 0.003 0.000 0.743 179 E HN 0.638 nan 8.360 nan 0.000 0.453 180 R N 0.290 120.737 120.500 -0.088 0.000 2.066 180 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 180 R C 2.176 178.397 176.300 -0.132 0.000 1.131 180 R CA 1.399 57.436 56.100 -0.105 0.000 0.955 180 R CB -0.277 29.967 30.300 -0.092 0.000 0.851 180 R HN 0.211 nan 8.270 nan 0.000 0.432 181 A N 0.761 123.432 122.820 -0.248 0.000 1.933 181 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 181 A C 2.339 179.897 177.584 -0.043 0.000 1.175 181 A CA 1.720 53.668 52.037 -0.149 0.000 0.628 181 A CB -0.763 17.991 19.000 -0.410 0.000 0.814 181 A HN 0.574 nan 8.150 nan 0.000 0.444 182 A N -0.072 122.708 122.820 -0.066 0.000 1.841 182 A HA 0.186 4.506 4.320 -0.000 0.000 0.214 182 A C 2.568 180.119 177.584 -0.054 0.000 1.195 182 A CA 2.195 54.211 52.037 -0.036 0.000 0.611 182 A CB -1.273 17.712 19.000 -0.025 0.000 0.835 182 A HN 1.123 nan 8.150 nan 0.000 0.443 183 A N -0.724 122.053 122.820 -0.071 0.000 1.917 183 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 183 A C 2.260 179.766 177.584 -0.130 0.000 1.182 183 A CA 2.118 54.104 52.037 -0.086 0.000 0.633 183 A CB -0.956 17.997 19.000 -0.079 0.000 0.819 183 A HN 0.423 nan 8.150 nan 0.000 0.448 184 V N -0.458 119.336 119.914 -0.200 0.000 2.346 184 V HA -0.083 4.037 4.120 -0.000 0.000 0.244 184 V C 2.844 178.717 176.094 -0.367 0.000 1.037 184 V CA 1.761 63.828 62.300 -0.388 0.000 1.029 184 V CB -1.437 29.925 31.823 -0.768 0.000 0.663 184 V HN 0.599 nan 8.190 nan 0.000 0.454 185 G N 0.128 108.802 108.800 -0.210 0.000 2.440 185 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 185 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 185 G C 1.579 176.462 174.900 -0.029 0.000 1.154 185 G CA 1.375 46.458 45.100 -0.030 0.000 0.767 185 G HN 0.485 nan 8.290 nan 0.000 0.552 186 K N 1.045 121.422 120.400 -0.039 0.000 2.032 186 K HA 0.066 4.386 4.320 -0.000 0.000 0.209 186 K C 2.674 179.266 176.600 -0.013 0.000 1.048 186 K CA 1.727 58.000 56.287 -0.022 0.000 0.927 186 K CB -0.629 31.851 32.500 -0.033 0.000 0.712 186 K HN 0.183 nan 8.250 nan 0.000 0.441 187 A N -0.001 122.797 122.820 -0.037 0.000 1.933 187 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 187 A C 2.292 179.940 177.584 0.107 0.000 1.175 187 A CA 1.713 53.770 52.037 0.034 0.000 0.628 187 A CB -0.595 18.392 19.000 -0.021 0.000 0.814 187 A HN 0.159 nan 8.150 nan 0.000 0.444 188 V N -0.043 119.864 119.914 -0.011 0.000 2.453 188 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 188 V C 2.698 178.800 176.094 0.014 0.000 1.048 188 V CA 1.695 63.986 62.300 -0.016 0.000 1.049 188 V CB -0.730 31.071 31.823 -0.036 0.000 0.672 188 V HN 0.432 nan 8.190 nan 0.000 0.457 189 R N 0.435 120.951 120.500 0.026 0.000 2.083 189 R HA -0.156 4.183 4.340 -0.000 0.000 0.237 189 R C 2.188 178.512 176.300 0.040 0.000 1.137 189 R CA 1.605 57.724 56.100 0.030 0.000 0.951 189 R CB -0.655 29.662 30.300 0.029 0.000 0.851 189 R HN 0.649 nan 8.270 nan 0.000 0.434 190 E N 0.420 120.663 120.200 0.072 0.000 2.058 190 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 190 E C 2.036 178.702 176.600 0.110 0.000 0.997 190 E CA 1.329 57.795 56.400 0.110 0.000 0.801 190 E CB -0.193 29.597 29.700 0.149 0.000 0.746 190 E HN 0.326 nan 8.360 nan 0.000 0.450 191 A N 1.960 124.810 122.820 0.051 0.000 1.883 191 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 191 A C 1.912 179.449 177.584 -0.078 0.000 1.186 191 A CA 1.715 53.647 52.037 -0.175 0.000 0.624 191 A CB -0.586 18.193 19.000 -0.369 0.000 0.822 191 A HN 0.135 nan 8.150 nan 0.000 0.444 192 N N 0.437 119.117 118.700 -0.034 0.000 2.104 192 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 192 N C 1.878 177.386 175.510 -0.003 0.000 1.024 192 N CA 1.748 54.790 53.050 -0.013 0.000 0.853 192 N CB -0.643 37.847 38.487 0.004 0.000 1.008 192 N HN 0.491 nan 8.380 nan 0.000 0.424 193 A N 0.758 123.583 122.820 0.009 0.000 1.877 193 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 193 A C 2.342 179.933 177.584 0.011 0.000 1.186 193 A CA 2.014 54.059 52.037 0.014 0.000 0.620 193 A CB -0.913 18.101 19.000 0.023 0.000 0.822 193 A HN 0.324 nan 8.150 nan 0.000 0.443 194 A N -0.972 121.855 122.820 0.012 0.000 1.930 194 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 194 A C 2.245 179.827 177.584 -0.003 0.000 1.175 194 A CA 1.646 53.689 52.037 0.010 0.000 0.627 194 A CB -0.320 18.692 19.000 0.020 0.000 0.815 194 A HN 0.491 nan 8.150 nan 0.000 0.443 195 R N -1.393 119.098 120.500 -0.015 0.000 2.334 195 R HA 0.221 4.561 4.340 -0.000 0.000 0.212 195 R C 0.947 177.243 176.300 -0.007 0.000 0.897 195 R CA 0.797 56.888 56.100 -0.016 0.000 1.056 195 R CB 0.042 30.322 30.300 -0.033 0.000 1.046 195 R HN 0.693 nan 8.270 nan 0.000 0.513 196 G N 0.701 109.500 108.800 -0.003 0.000 2.246 196 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.273 196 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.273 196 G C 0.097 174.999 174.900 0.003 0.000 1.055 196 G CA 0.197 45.299 45.100 0.003 0.000 0.851 196 G HN 0.555 nan 8.290 nan 0.000 0.500 197 G N -1.383 107.416 108.800 -0.001 0.000 2.502 197 G HA2 0.653 4.612 3.960 -0.000 0.000 0.305 197 G HA3 0.653 4.612 3.960 -0.000 0.000 0.305 197 G C 0.408 175.313 174.900 0.009 0.000 1.190 197 G CA -0.914 44.186 45.100 0.001 0.000 0.933 197 G HN 0.429 nan 8.290 nan 0.000 0.503 198 R N -0.116 120.393 120.500 0.015 0.000 2.698 198 R HA 0.180 4.520 4.340 -0.000 0.000 0.422 198 R C -0.233 176.084 176.300 0.029 0.000 1.073 198 R CA -0.325 55.788 56.100 0.022 0.000 1.054 198 R CB 0.786 31.101 30.300 0.024 0.000 1.373 198 R HN 0.445 nan 8.270 nan 0.000 0.593 199 T N 2.069 116.638 114.554 0.025 0.000 2.888 199 T HA 0.190 4.540 4.350 -0.000 0.000 0.301 199 T C 0.367 175.100 174.700 0.054 0.000 1.001 199 T CA 0.370 62.490 62.100 0.033 0.000 1.147 199 T CB 0.680 69.558 68.868 0.017 0.000 0.931 199 T HN 0.109 nan 8.240 nan 0.000 0.541 200 L N 3.075 124.339 121.223 0.069 0.000 2.343 200 L HA 0.524 4.864 4.340 -0.000 0.000 0.275 200 L C -0.610 176.355 176.870 0.159 0.000 1.056 200 L CA -1.107 53.789 54.840 0.094 0.000 0.804 200 L CB 0.855 42.956 42.059 0.069 0.000 1.203 200 L HN 0.578 nan 8.230 nan 0.000 0.440 201 Y N 1.906 122.215 120.300 0.015 0.000 2.341 201 Y HA 0.654 5.204 4.550 -0.000 0.000 0.338 201 Y C -0.530 175.385 175.900 0.025 0.000 0.965 201 Y CA -1.480 56.626 58.100 0.011 0.000 1.108 201 Y CB 1.731 40.190 38.460 -0.002 0.000 1.180 201 Y HN 0.507 nan 8.280 nan 0.000 0.458 202 A N 9.477 132.079 122.820 -0.364 0.000 2.508 202 A HA 0.535 4.855 4.320 -0.000 0.000 0.336 202 A C -2.928 174.323 177.584 -0.555 0.000 1.360 202 A CA -1.746 50.068 52.037 -0.373 0.000 0.841 202 A CB -0.180 18.760 19.000 -0.101 0.000 1.136 202 A HN 0.523 nan 8.150 nan 0.000 0.489 203 P HA 0.086 nan 4.420 nan 0.000 0.275 203 P C -0.558 176.750 177.300 0.015 0.000 1.228 203 P CA -0.326 62.535 63.100 -0.399 0.000 0.786 203 P CB 0.765 32.238 31.700 -0.377 0.000 0.927 204 N N 2.193 120.970 118.700 0.128 0.000 2.406 204 N HA 0.228 4.968 4.740 -0.000 0.000 0.251 204 N C -0.097 175.527 175.510 0.190 0.000 1.069 204 N CA -0.527 52.601 53.050 0.130 0.000 0.947 204 N CB -0.437 38.092 38.487 0.070 0.000 1.111 204 N HN 0.293 nan 8.380 nan 0.000 0.497 205 I N 0.149 120.754 120.570 0.059 0.000 2.499 205 I HA 0.596 4.766 4.170 -0.000 0.000 0.296 205 I C 0.125 176.195 176.117 -0.080 0.000 0.992 205 I CA -0.496 60.724 61.300 -0.133 0.000 1.297 205 I CB 1.573 39.458 38.000 -0.191 0.000 1.410 205 I HN 0.255 nan 8.210 nan 0.000 0.507 206 S N 2.383 118.007 115.700 -0.128 0.000 2.618 206 S HA 0.891 5.360 4.470 -0.000 0.000 0.277 206 S C -0.090 174.473 174.600 -0.063 0.000 1.138 206 S CA 0.272 58.437 58.200 -0.058 0.000 0.844 206 S CB 1.491 64.675 63.200 -0.027 0.000 1.127 206 S HN 1.555 nan 8.310 nan 0.000 0.474 207 G N 1.435 110.219 108.800 -0.027 0.000 2.484 207 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.225 207 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.225 207 G C 0.086 174.975 174.900 -0.018 0.000 1.250 207 G CA 0.086 45.172 45.100 -0.023 0.000 0.926 207 G HN 1.570 nan 8.290 nan 0.000 0.581 208 T N -1.141 113.400 114.554 -0.022 0.000 2.754 208 T HA 0.501 4.850 4.350 -0.000 0.000 0.286 208 T C 1.730 176.415 174.700 -0.026 0.000 0.997 208 T CA 0.594 62.684 62.100 -0.017 0.000 0.982 208 T CB 1.185 70.044 68.868 -0.015 0.000 1.027 208 T HN 1.690 nan 8.240 nan 0.000 0.529 209 L N 0.677 121.889 121.223 -0.019 0.000 2.079 209 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 209 L C 1.917 178.765 176.870 -0.038 0.000 1.081 209 L CA 1.934 56.758 54.840 -0.026 0.000 0.752 209 L CB -1.209 40.839 42.059 -0.018 0.000 0.896 209 L HN 0.701 nan 8.230 nan 0.000 0.433 210 D N -0.233 120.147 120.400 -0.033 0.000 2.097 210 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 210 D C 1.797 178.065 176.300 -0.053 0.000 0.989 210 D CA 1.561 55.539 54.000 -0.037 0.000 0.827 210 D CB -0.332 40.452 40.800 -0.027 0.000 0.966 210 D HN 0.415 nan 8.370 nan 0.000 0.456 211 D N 0.258 120.623 120.400 -0.059 0.000 2.123 211 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 211 D C 2.210 178.428 176.300 -0.138 0.000 0.992 211 D CA 0.724 54.671 54.000 -0.088 0.000 0.833 211 D CB -0.230 40.523 40.800 -0.078 0.000 0.954 211 D HN 0.254 nan 8.370 nan 0.000 0.455 212 M N 0.203 119.733 119.600 -0.116 0.000 2.117 212 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 212 M C 2.310 178.529 176.300 -0.135 0.000 1.065 212 M CA 1.302 56.519 55.300 -0.138 0.000 1.114 212 M CB -0.111 32.440 32.600 -0.082 0.000 1.361 212 M HN -0.069 nan 8.290 nan 0.000 0.408 213 R N -0.620 119.824 120.500 -0.093 0.000 2.092 213 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 213 R C 2.286 178.543 176.300 -0.073 0.000 1.119 213 R CA 1.116 57.172 56.100 -0.074 0.000 0.970 213 R CB -0.392 29.877 30.300 -0.053 0.000 0.864 213 R HN 0.355 nan 8.270 nan 0.000 0.440 214 R N 1.338 121.788 120.500 -0.082 0.000 2.073 214 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 214 R C 1.995 178.241 176.300 -0.090 0.000 1.134 214 R CA 1.768 57.829 56.100 -0.066 0.000 0.952 214 R CB -0.014 30.250 30.300 -0.060 0.000 0.850 214 R HN 0.276 nan 8.270 nan 0.000 0.433 215 Q N 0.099 119.758 119.800 -0.234 0.000 2.167 215 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 215 Q C 2.067 177.971 176.000 -0.160 0.000 0.970 215 Q CA 1.166 56.685 55.803 -0.473 0.000 0.855 215 Q CB -0.059 27.949 28.738 -1.216 0.000 0.911 215 Q HN 0.254 nan 8.270 nan 0.000 0.438 216 L N 0.280 121.434 121.223 -0.114 0.000 2.093 216 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 216 L C 2.015 178.901 176.870 0.028 0.000 1.085 216 L CA 2.019 56.848 54.840 -0.018 0.000 0.755 216 L CB -0.918 41.115 42.059 -0.042 0.000 0.904 216 L HN 0.166 nan 8.230 nan 0.000 0.435 217 G N -0.920 107.888 108.800 0.014 0.000 2.446 217 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.217 217 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.217 217 G C 1.525 176.469 174.900 0.074 0.000 1.168 217 G CA 1.205 46.325 45.100 0.033 0.000 0.771 217 G HN 0.331 nan 8.290 nan 0.000 0.551 218 V N 1.463 121.455 119.914 0.130 0.000 2.295 218 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 218 V C 2.820 179.014 176.094 0.166 0.000 1.049 218 V CA 1.202 63.611 62.300 0.182 0.000 1.024 218 V CB -0.400 31.622 31.823 0.332 0.000 0.648 218 V HN 0.250 nan 8.190 nan 0.000 0.447 219 I N 0.345 121.040 120.570 0.209 0.000 2.118 219 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 219 I C 2.661 178.830 176.117 0.086 0.000 1.070 219 I CA 1.796 63.184 61.300 0.146 0.000 1.327 219 I CB -1.349 36.737 38.000 0.143 0.000 1.034 219 I HN 0.354 nan 8.210 nan 0.000 0.405 220 R N 0.381 120.922 120.500 0.069 0.000 2.081 220 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 220 R C 1.815 178.142 176.300 0.045 0.000 1.131 220 R CA 1.461 57.588 56.100 0.046 0.000 0.960 220 R CB -0.401 29.917 30.300 0.031 0.000 0.856 220 R HN 0.407 nan 8.270 nan 0.000 0.436 221 D N 0.636 121.066 120.400 0.051 0.000 2.178 221 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 221 D C 1.535 177.861 176.300 0.043 0.000 0.974 221 D CA 0.990 55.016 54.000 0.044 0.000 0.841 221 D CB -0.015 40.812 40.800 0.046 0.000 0.953 221 D HN 0.173 nan 8.370 nan 0.000 0.478 222 E N -0.251 119.981 120.200 0.053 0.000 2.478 222 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 222 E C 1.299 177.929 176.600 0.050 0.000 1.045 222 E CA 0.402 56.831 56.400 0.049 0.000 0.868 222 E CB 0.281 30.014 29.700 0.055 0.000 0.885 222 E HN 0.289 nan 8.360 nan 0.000 0.505 223 G N 1.988 110.817 108.800 0.049 0.000 2.160 223 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 223 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 223 G C 0.334 175.268 174.900 0.057 0.000 1.008 223 G CA 0.260 45.387 45.100 0.045 0.000 0.724 223 G HN 0.261 nan 8.290 nan 0.000 0.514 224 I N 0.278 120.890 120.570 0.069 0.000 2.575 224 I HA 0.418 4.588 4.170 -0.000 0.000 0.285 224 I C 1.677 177.827 176.117 0.055 0.000 1.085 224 I CA 0.780 62.131 61.300 0.084 0.000 1.403 224 I CB 1.282 39.340 38.000 0.097 0.000 1.409 224 I HN 0.089 nan 8.210 nan 0.000 0.557 225 G N 4.209 113.042 108.800 0.056 0.000 3.126 225 G HA2 0.562 4.522 3.960 -0.000 0.000 0.224 225 G HA3 0.562 4.522 3.960 -0.000 0.000 0.224 225 G C 0.213 175.128 174.900 0.026 0.000 1.142 225 G CA 0.433 45.557 45.100 0.040 0.000 0.759 225 G HN 0.717 nan 8.290 nan 0.000 0.550 226 A N -0.570 122.252 122.820 0.004 0.000 2.564 226 A HA 0.861 5.181 4.320 -0.000 0.000 0.288 226 A C -1.317 176.237 177.584 -0.051 0.000 1.164 226 A CA -0.292 51.738 52.037 -0.012 0.000 0.712 226 A CB 1.660 20.658 19.000 -0.004 0.000 1.303 226 A HN 1.202 nan 8.150 nan 0.000 0.418 227 V N -1.959 117.939 119.914 -0.026 0.000 2.969 227 V HA 0.800 4.920 4.120 -0.000 0.000 0.304 227 V C -1.502 174.604 176.094 0.020 0.000 1.192 227 V CA -0.711 61.579 62.300 -0.017 0.000 0.962 227 V CB 1.251 33.084 31.823 0.017 0.000 1.045 227 V HN 1.334 nan 8.190 nan 0.000 0.428 228 L N 4.177 125.414 121.223 0.022 0.000 2.329 228 L HA 0.955 5.295 4.340 -0.000 0.000 0.279 228 L C -0.685 176.231 176.870 0.077 0.000 1.014 228 L CA -0.153 54.721 54.840 0.056 0.000 0.814 228 L CB 1.747 43.827 42.059 0.034 0.000 1.257 228 L HN 0.761 nan 8.230 nan 0.000 0.424 229 V N 3.503 123.477 119.914 0.100 0.000 2.851 229 V HA 0.726 4.846 4.120 -0.000 0.000 0.307 229 V C -0.359 175.732 176.094 -0.005 0.000 1.129 229 V CA -0.688 61.664 62.300 0.087 0.000 0.932 229 V CB 1.676 33.635 31.823 0.226 0.000 1.024 229 V HN 0.902 nan 8.190 nan 0.000 0.426 230 A N 5.001 127.821 122.820 0.000 0.000 2.478 230 A HA 0.707 5.027 4.320 -0.000 0.000 0.327 230 A C -1.778 175.723 177.584 -0.139 0.000 1.431 230 A CA -1.457 50.570 52.037 -0.017 0.000 1.014 230 A CB 0.587 19.658 19.000 0.117 0.000 1.143 230 A HN 0.656 nan 8.150 nan 0.000 0.532 231 P HA -0.168 nan 4.420 nan 0.000 0.218 231 P C 1.437 178.665 177.300 -0.120 0.000 1.148 231 P CA 1.236 64.036 63.100 -0.500 0.000 0.822 231 P CB 0.067 31.031 31.700 -1.226 0.000 0.784 232 M N -2.175 117.429 119.600 0.008 0.000 2.562 232 M HA 0.043 4.523 4.480 -0.000 0.000 0.257 232 M C 1.942 178.284 176.300 0.070 0.000 1.099 232 M CA 0.850 56.205 55.300 0.091 0.000 1.099 232 M CB -0.986 31.707 32.600 0.155 0.000 1.427 232 M HN 0.031 nan 8.290 nan 0.000 0.489 233 I N 0.095 120.699 120.570 0.057 0.000 2.235 233 I HA -0.149 4.021 4.170 -0.000 0.000 0.241 233 I C 2.123 178.266 176.117 0.043 0.000 1.085 233 I CA 0.988 62.323 61.300 0.059 0.000 1.378 233 I CB -0.196 37.846 38.000 0.069 0.000 1.076 233 I HN 0.140 nan 8.210 nan 0.000 0.415 234 V N -1.142 118.792 119.914 0.033 0.000 3.541 234 V HA 0.459 4.579 4.120 -0.000 0.000 0.267 234 V C 0.777 176.894 176.094 0.038 0.000 1.213 234 V CA 0.218 62.538 62.300 0.035 0.000 1.149 234 V CB -0.945 30.903 31.823 0.042 0.000 0.822 234 V HN 0.511 nan 8.190 nan 0.000 0.462 235 G N -0.377 108.445 108.800 0.037 0.000 3.322 235 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 235 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 235 G C -0.150 174.773 174.900 0.039 0.000 1.015 235 G CA -0.349 44.772 45.100 0.035 0.000 0.826 235 G HN 0.551 nan 8.290 nan 0.000 0.538 236 V N 2.100 122.020 119.914 0.011 0.000 2.407 236 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 236 V C 2.906 178.952 176.094 -0.079 0.000 1.055 236 V CA 2.880 65.160 62.300 -0.032 0.000 1.049 236 V CB -0.560 31.178 31.823 -0.141 0.000 0.662 236 V HN 0.850 nan 8.190 nan 0.000 0.455 237 S N 0.594 116.249 115.700 -0.077 0.000 2.368 237 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 237 S C 1.838 176.455 174.600 0.028 0.000 1.030 237 S CA 1.525 59.703 58.200 -0.036 0.000 0.999 237 S CB -0.409 62.788 63.200 -0.004 0.000 0.844 237 S HN 0.679 nan 8.310 nan 0.000 0.459 238 N N 0.774 119.496 118.700 0.037 0.000 2.216 238 N HA -0.036 4.704 4.740 -0.000 0.000 0.183 238 N C 1.508 177.050 175.510 0.054 0.000 1.017 238 N CA 0.742 53.812 53.050 0.034 0.000 0.861 238 N CB -0.463 38.042 38.487 0.029 0.000 0.986 238 N HN 0.410 nan 8.380 nan 0.000 0.428 239 F N 2.289 122.209 119.950 -0.050 0.000 2.095 239 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 239 F C 2.554 178.357 175.800 0.006 0.000 1.104 239 F CA 1.716 59.687 58.000 -0.050 0.000 1.232 239 F CB -0.644 38.298 39.000 -0.097 0.000 0.987 239 F HN 0.080 nan 8.300 nan 0.000 0.475 240 H N 0.230 119.169 119.070 -0.218 0.000 2.353 240 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 240 H C 2.191 177.402 175.328 -0.195 0.000 1.090 240 H CA 1.584 57.475 56.048 -0.262 0.000 1.327 240 H CB -0.660 29.018 29.762 -0.140 0.000 1.383 240 H HN 0.294 nan 8.280 nan 0.000 0.508 241 A N 0.878 123.608 122.820 -0.150 0.000 1.908 241 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 241 A C 2.407 179.876 177.584 -0.191 0.000 1.181 241 A CA 1.603 53.538 52.037 -0.170 0.000 0.627 241 A CB -0.618 18.336 19.000 -0.076 0.000 0.818 241 A HN 0.449 nan 8.150 nan 0.000 0.445 242 I N -0.178 120.279 120.570 -0.189 0.000 2.315 242 I HA -0.159 4.011 4.170 -0.000 0.000 0.248 242 I C 2.504 178.483 176.117 -0.231 0.000 1.117 242 I CA 1.054 62.248 61.300 -0.177 0.000 1.404 242 I CB -1.090 36.829 38.000 -0.136 0.000 1.071 242 I HN 0.139 nan 8.210 nan 0.000 0.419 243 V N 1.115 120.809 119.914 -0.367 0.000 2.332 243 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 243 V C 2.334 178.297 176.094 -0.219 0.000 1.055 243 V CA 1.768 63.871 62.300 -0.329 0.000 1.038 243 V CB -0.692 30.888 31.823 -0.405 0.000 0.651 243 V HN 0.390 nan 8.190 nan 0.000 0.450 244 K N -0.547 119.699 120.400 -0.257 0.000 2.442 244 K HA -0.100 4.220 4.320 -0.000 0.000 0.198 244 K C 1.636 178.162 176.600 -0.123 0.000 1.042 244 K CA 0.960 57.133 56.287 -0.190 0.000 0.958 244 K CB -0.023 32.338 32.500 -0.231 0.000 0.766 244 K HN 0.587 nan 8.250 nan 0.000 0.474 245 E N -0.688 119.440 120.200 -0.119 0.000 2.526 245 E HA 0.112 4.462 4.350 -0.000 0.000 0.208 245 E C 1.416 177.978 176.600 -0.064 0.000 0.997 245 E CA -0.031 56.321 56.400 -0.081 0.000 0.961 245 E CB 0.629 30.282 29.700 -0.077 0.000 1.030 245 E HN 0.222 nan 8.360 nan 0.000 0.483 246 A N 1.647 124.422 122.820 -0.075 0.000 1.972 246 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 246 A C 1.659 179.226 177.584 -0.028 0.000 1.169 246 A CA 1.091 53.097 52.037 -0.052 0.000 0.635 246 A CB -0.449 18.514 19.000 -0.061 0.000 0.810 246 A HN 0.321 nan 8.150 nan 0.000 0.446 247 A N -2.861 119.942 122.820 -0.028 0.000 2.800 247 A HA 0.263 4.582 4.320 -0.000 0.000 0.292 247 A C 1.813 179.394 177.584 -0.004 0.000 1.474 247 A CA 1.353 53.382 52.037 -0.014 0.000 0.744 247 A CB -1.938 17.055 19.000 -0.011 0.000 1.044 247 A HN 2.602 nan 8.150 nan 0.000 0.489 248 G N -2.520 106.279 108.800 -0.002 0.000 2.176 248 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 248 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 248 G C 0.221 175.129 174.900 0.013 0.000 0.979 248 G CA 0.324 45.429 45.100 0.008 0.000 0.641 248 G HN 1.506 nan 8.290 nan 0.000 0.530 249 L N 0.933 122.161 121.223 0.008 0.000 2.439 249 L HA 0.383 4.723 4.340 -0.000 0.000 0.269 249 L C 1.180 178.061 176.870 0.019 0.000 1.179 249 L CA -0.702 54.146 54.840 0.013 0.000 0.828 249 L CB 1.069 43.133 42.059 0.007 0.000 1.106 249 L HN -0.048 nan 8.230 nan 0.000 0.467 250 V N 3.831 123.761 119.914 0.026 0.000 2.470 250 V HA 0.044 4.164 4.120 -0.000 0.000 0.276 250 V C 0.305 176.424 176.094 0.042 0.000 1.040 250 V CA -0.300 62.022 62.300 0.037 0.000 1.008 250 V CB 1.194 33.042 31.823 0.042 0.000 0.990 250 V HN 0.378 nan 8.190 nan 0.000 0.477 251 V N 6.735 126.684 119.914 0.058 0.000 2.348 251 V HA 0.272 4.391 4.120 -0.000 0.000 0.270 251 V C 0.069 176.242 176.094 0.131 0.000 1.037 251 V CA -0.380 61.972 62.300 0.086 0.000 0.872 251 V CB 1.463 33.328 31.823 0.071 0.000 1.002 251 V HN 0.622 nan 8.190 nan 0.000 0.464 252 V N 4.905 124.891 119.914 0.120 0.000 2.370 252 V HA 0.683 4.803 4.120 -0.000 0.000 0.279 252 V C 0.599 176.771 176.094 0.130 0.000 1.029 252 V CA -0.498 61.873 62.300 0.118 0.000 0.870 252 V CB 1.435 33.309 31.823 0.085 0.000 0.984 252 V HN 0.918 nan 8.190 nan 0.000 0.451 253 A N 4.223 127.111 122.820 0.113 0.000 2.310 253 A HA 0.619 4.939 4.320 -0.000 0.000 0.299 253 A C -0.347 177.297 177.584 0.100 0.000 1.147 253 A CA -0.386 51.645 52.037 -0.010 0.000 0.818 253 A CB 0.481 19.350 19.000 -0.219 0.000 1.096 253 A HN 0.923 nan 8.150 nan 0.000 0.495 254 H N 3.274 122.331 119.070 -0.021 0.000 2.569 254 H HA 0.444 5.000 4.556 -0.000 0.000 0.357 254 H C -2.322 173.056 175.328 0.083 0.000 1.153 254 H CA -1.877 54.185 56.048 0.025 0.000 1.193 254 H CB 2.651 32.414 29.762 0.003 0.000 1.602 254 H HN 0.419 nan 8.280 nan 0.000 0.523 255 P HA 0.130 nan 4.420 nan 0.000 0.261 255 P C -0.124 177.152 177.300 -0.041 0.000 1.352 255 P CA -0.127 62.914 63.100 -0.097 0.000 0.891 255 P CB -0.099 31.465 31.700 -0.226 0.000 1.383 256 A N 1.225 124.113 122.820 0.114 0.000 2.580 256 A HA 0.149 4.469 4.320 -0.000 0.000 0.244 256 A C 1.271 178.928 177.584 0.122 0.000 1.045 256 A CA 0.607 52.726 52.037 0.136 0.000 0.761 256 A CB -0.642 18.492 19.000 0.224 0.000 0.962 256 A HN 0.220 nan 8.150 nan 0.000 0.512 257 M N -0.080 119.582 119.600 0.103 0.000 2.943 257 M HA -0.272 4.208 4.480 -0.000 0.000 0.198 257 M C 1.234 177.592 176.300 0.096 0.000 0.606 257 M CA 1.183 56.544 55.300 0.101 0.000 0.744 257 M CB -2.388 30.273 32.600 0.102 0.000 2.671 257 M HN 1.242 nan 8.290 nan 0.000 0.342 258 A N -0.789 122.080 122.820 0.082 0.000 2.167 258 A HA 0.374 4.694 4.320 -0.000 0.000 0.214 258 A C 1.944 179.561 177.584 0.055 0.000 1.151 258 A CA 1.646 53.717 52.037 0.057 0.000 0.735 258 A CB -0.454 18.543 19.000 -0.005 0.000 0.802 258 A HN 0.743 nan 8.150 nan 0.000 0.467 259 G N -1.496 107.352 108.800 0.081 0.000 3.088 259 G HA2 0.310 4.270 3.960 -0.000 0.000 0.217 259 G HA3 0.310 4.270 3.960 -0.000 0.000 0.217 259 G C 1.325 176.282 174.900 0.095 0.000 1.159 259 G CA 0.820 45.977 45.100 0.094 0.000 0.760 259 G HN 0.572 nan 8.290 nan 0.000 0.550 260 A N 0.273 123.148 122.820 0.091 0.000 1.969 260 A HA 0.565 4.885 4.320 -0.000 0.000 0.218 260 A C 1.569 179.208 177.584 0.092 0.000 1.169 260 A CA 1.489 53.577 52.037 0.084 0.000 0.635 260 A CB -0.173 18.873 19.000 0.078 0.000 0.810 260 A HN 0.777 nan 8.150 nan 0.000 0.445 261 A N -1.110 121.782 122.820 0.120 0.000 2.356 261 A HA 0.634 4.954 4.320 -0.000 0.000 0.323 261 A C -0.146 177.579 177.584 0.236 0.000 1.119 261 A CA -0.695 51.452 52.037 0.184 0.000 0.790 261 A CB 0.811 19.941 19.000 0.217 0.000 1.273 261 A HN 0.003 nan 8.150 nan 0.000 0.452 262 K N 2.121 122.739 120.400 0.363 0.000 2.480 262 K HA 0.367 4.687 4.320 -0.000 0.000 0.241 262 K C -0.989 175.623 176.600 0.021 0.000 1.261 262 K CA 0.184 56.600 56.287 0.216 0.000 1.193 262 K CB -1.224 31.415 32.500 0.232 0.000 1.598 262 K HN 0.543 nan 8.250 nan 0.000 0.278 263 I N 2.333 122.864 120.570 -0.064 0.000 2.336 263 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 263 I C 0.343 176.313 176.117 -0.246 0.000 0.991 263 I CA -1.207 59.932 61.300 -0.268 0.000 1.227 263 I CB 1.645 39.525 38.000 -0.200 0.000 1.366 263 I HN 0.344 nan 8.210 nan 0.000 0.466 264 A N 4.577 127.209 122.820 -0.313 0.000 2.540 264 A HA 0.335 4.655 4.320 -0.000 0.000 0.239 264 A C 1.400 178.789 177.584 -0.325 0.000 1.061 264 A CA 0.489 52.343 52.037 -0.305 0.000 0.758 264 A CB 0.402 19.203 19.000 -0.332 0.000 0.991 264 A HN 0.993 nan 8.150 nan 0.000 0.502 265 A N 4.025 126.630 122.820 -0.358 0.000 1.908 265 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 265 A C -0.183 177.170 177.584 -0.385 0.000 1.181 265 A CA 2.047 53.859 52.037 -0.375 0.000 0.627 265 A CB -1.515 17.182 19.000 -0.504 0.000 0.818 265 A HN 0.632 nan 8.150 nan 0.000 0.445 266 P HA -0.118 nan 4.420 nan 0.000 0.217 266 P C 1.690 178.776 177.300 -0.358 0.000 1.150 266 P CA 0.886 63.775 63.100 -0.351 0.000 0.832 266 P CB -0.095 31.428 31.700 -0.295 0.000 0.787 267 L N -1.119 119.893 121.223 -0.352 0.000 2.017 267 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 267 L C 2.080 178.724 176.870 -0.378 0.000 1.073 267 L CA 1.863 56.491 54.840 -0.354 0.000 0.745 267 L CB -1.480 40.371 42.059 -0.346 0.000 0.894 267 L HN -0.133 nan 8.230 nan 0.000 0.432 268 L N -0.870 120.108 121.223 -0.408 0.000 2.022 268 L HA -0.052 4.288 4.340 -0.000 0.000 0.204 268 L C 2.236 178.612 176.870 -0.823 0.000 1.076 268 L CA 1.782 56.324 54.840 -0.498 0.000 0.749 268 L CB -0.656 41.136 42.059 -0.445 0.000 0.903 268 L HN 0.262 nan 8.230 nan 0.000 0.439 269 L N -1.011 119.717 121.223 -0.826 0.000 2.156 269 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 269 L C 2.248 178.870 176.870 -0.414 0.000 1.095 269 L CA 0.891 55.201 54.840 -0.884 0.000 0.770 269 L CB -1.235 40.530 42.059 -0.489 0.000 0.914 269 L HN 0.459 nan 8.230 nan 0.000 0.439 270 G N -0.038 108.534 108.800 -0.380 0.000 2.655 270 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 270 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 270 G C 1.644 176.379 174.900 -0.274 0.000 1.279 270 G CA 0.390 45.317 45.100 -0.289 0.000 0.870 270 G HN 0.137 nan 8.290 nan 0.000 0.560 271 R N -0.154 120.124 120.500 -0.371 0.000 2.055 271 R HA 0.165 4.505 4.340 -0.000 0.000 0.228 271 R C 2.646 178.731 176.300 -0.358 0.000 1.143 271 R CA 0.983 56.793 56.100 -0.484 0.000 0.945 271 R CB -0.475 29.483 30.300 -0.570 0.000 0.841 271 R HN 0.339 nan 8.270 nan 0.000 0.429 272 L N 0.057 121.071 121.223 -0.349 0.000 2.027 272 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 272 L C 2.464 179.150 176.870 -0.306 0.000 1.074 272 L CA 0.908 55.473 54.840 -0.459 0.000 0.745 272 L CB -0.526 41.313 42.059 -0.368 0.000 0.898 272 L HN 0.183 nan 8.230 nan 0.000 0.433 273 F N 0.568 120.375 119.950 -0.239 0.000 2.095 273 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 273 F C 2.834 178.671 175.800 0.060 0.000 1.104 273 F CA 1.430 59.402 58.000 -0.048 0.000 1.232 273 F CB -0.935 38.016 39.000 -0.082 0.000 0.987 273 F HN 0.062 nan 8.300 nan 0.000 0.475 274 R N 0.395 120.998 120.500 0.171 0.000 2.080 274 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 274 R C 2.320 178.718 176.300 0.165 0.000 1.137 274 R CA 1.729 57.916 56.100 0.146 0.000 0.943 274 R CB -0.870 29.464 30.300 0.057 0.000 0.846 274 R HN 0.289 nan 8.270 nan 0.000 0.431 275 L N 0.453 121.718 121.223 0.070 0.000 2.013 275 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 275 L C 1.868 178.773 176.870 0.059 0.000 1.073 275 L CA 1.845 56.714 54.840 0.048 0.000 0.753 275 L CB -0.512 41.407 42.059 -0.234 0.000 0.890 275 L HN 0.166 nan 8.230 nan 0.000 0.432 276 F N -0.036 119.958 119.950 0.073 0.000 2.661 276 F HA 0.305 4.832 4.527 -0.000 0.000 0.298 276 F C 2.009 177.960 175.800 0.251 0.000 1.137 276 F CA 0.396 58.430 58.000 0.056 0.000 1.454 276 F CB -0.589 38.488 39.000 0.128 0.000 1.103 276 F HN 0.270 nan 8.300 nan 0.000 0.577 277 G N -0.972 108.062 108.800 0.390 0.000 2.321 277 G HA2 0.092 4.052 3.960 -0.000 0.000 0.174 277 G HA3 0.092 4.052 3.960 -0.000 0.000 0.174 277 G C 0.157 175.186 174.900 0.214 0.000 1.008 277 G CA -0.398 44.831 45.100 0.214 0.000 0.739 277 G HN 0.482 nan 8.290 nan 0.000 0.502 278 A N 0.561 123.609 122.820 0.379 0.000 2.454 278 A HA 0.549 4.869 4.320 -0.000 0.000 0.260 278 A C 1.068 178.776 177.584 0.206 0.000 1.106 278 A CA 0.743 52.992 52.037 0.352 0.000 0.780 278 A CB 0.306 19.508 19.000 0.336 0.000 1.044 278 A HN 0.194 nan 8.150 nan 0.000 0.498 279 D N 1.175 121.671 120.400 0.160 0.000 2.271 279 D HA 0.234 4.874 4.640 -0.000 0.000 0.206 279 D C 0.742 177.107 176.300 0.110 0.000 0.967 279 D CA 1.524 55.594 54.000 0.117 0.000 0.867 279 D CB 0.348 41.202 40.800 0.089 0.000 0.960 279 D HN 0.657 nan 8.370 nan 0.000 0.509 280 A N -0.163 122.730 122.820 0.121 0.000 2.454 280 A HA 0.584 4.904 4.320 -0.000 0.000 0.302 280 A C -0.809 176.860 177.584 0.141 0.000 1.079 280 A CA -0.460 51.645 52.037 0.112 0.000 0.731 280 A CB 2.375 21.428 19.000 0.088 0.000 1.299 280 A HN -0.098 nan 8.150 nan 0.000 0.413 281 T N 0.960 115.605 114.554 0.152 0.000 2.949 281 T HA 0.516 4.866 4.350 -0.000 0.000 0.300 281 T C -1.071 173.764 174.700 0.224 0.000 0.988 281 T CA -0.242 61.976 62.100 0.198 0.000 0.993 281 T CB 0.522 69.518 68.868 0.213 0.000 0.984 281 T HN 0.704 nan 8.240 nan 0.000 0.442 282 V N 7.201 127.200 119.914 0.143 0.000 2.583 282 V HA 0.726 4.846 4.120 -0.000 0.000 0.287 282 V C -0.187 175.940 176.094 0.056 0.000 1.051 282 V CA -0.211 62.102 62.300 0.022 0.000 1.010 282 V CB 0.177 31.961 31.823 -0.065 0.000 0.988 282 V HN 0.831 nan 8.190 nan 0.000 0.478 283 F N 3.804 123.622 119.950 -0.220 0.000 2.678 283 F HA 0.745 5.272 4.527 0.000 0.000 0.308 283 F C -3.122 172.451 175.800 -0.379 0.000 1.118 283 F CA -2.740 55.092 58.000 -0.280 0.000 0.959 283 F CB 1.702 40.650 39.000 -0.087 0.000 1.305 283 F HN 0.272 nan 8.300 nan 0.000 0.443 284 P HA 0.115 nan 4.420 nan 0.000 0.276 284 P C -0.814 176.247 177.300 -0.398 0.000 1.243 284 P CA 0.100 62.775 63.100 -0.709 0.000 0.768 284 P CB 1.080 32.073 31.700 -1.178 0.000 0.856 285 N N 2.958 121.452 118.700 -0.344 0.000 2.415 285 N HA 0.008 4.748 4.740 -0.000 0.000 0.248 285 N C -0.171 175.307 175.510 -0.053 0.000 1.271 285 N CA -0.151 52.801 53.050 -0.164 0.000 0.913 285 N CB -0.001 38.298 38.487 -0.314 0.000 1.129 285 N HN 0.326 nan 8.380 nan 0.000 0.444 286 Y N -0.058 120.279 120.300 0.063 0.000 2.511 286 Y HA 0.292 4.842 4.550 0.000 0.000 0.347 286 Y C 1.612 177.501 175.900 -0.019 0.000 1.257 286 Y CA -0.578 57.540 58.100 0.030 0.000 1.469 286 Y CB -0.160 38.267 38.460 -0.055 0.000 1.353 286 Y HN 0.692 nan 8.280 nan 0.000 0.617 287 G N 0.489 109.332 108.800 0.072 0.000 2.196 287 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.268 287 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.268 287 G C 0.593 175.452 174.900 -0.069 0.000 0.975 287 G CA 0.415 45.507 45.100 -0.013 0.000 0.648 287 G HN 1.344 nan 8.290 nan 0.000 0.538 288 G N -1.070 107.689 108.800 -0.068 0.000 2.546 288 G HA2 0.451 4.411 3.960 -0.000 0.000 0.239 288 G HA3 0.451 4.411 3.960 -0.000 0.000 0.239 288 G C 1.005 175.930 174.900 0.043 0.000 1.476 288 G CA 0.184 45.268 45.100 -0.028 0.000 1.064 288 G HN 0.295 nan 8.290 nan 0.000 0.561 289 R N -1.323 119.241 120.500 0.107 0.000 2.280 289 R HA 0.094 4.434 4.340 -0.000 0.000 0.207 289 R C -0.022 176.193 176.300 -0.142 0.000 1.043 289 R CA 0.333 56.423 56.100 -0.016 0.000 1.006 289 R CB -0.137 30.114 30.300 -0.081 0.000 0.885 289 R HN 0.301 nan 8.270 nan 0.000 0.467 290 F N -1.342 118.557 119.950 -0.085 0.000 2.535 290 F HA 0.402 4.929 4.527 -0.000 0.000 0.367 290 F C 1.035 176.835 175.800 -0.000 0.000 1.096 290 F CA -1.090 56.865 58.000 -0.074 0.000 1.088 290 F CB 0.617 39.497 39.000 -0.200 0.000 1.387 290 F HN -0.279 nan 8.300 nan 0.000 0.494 291 A N -0.614 122.374 122.820 0.280 0.000 2.574 291 A HA 0.293 4.613 4.320 -0.000 0.000 0.283 291 A C -0.787 177.007 177.584 0.351 0.000 1.270 291 A CA -0.145 52.037 52.037 0.241 0.000 0.945 291 A CB -1.061 18.040 19.000 0.169 0.000 1.127 291 A HN 0.444 nan 8.150 nan 0.000 0.522 292 Y N 1.791 122.185 120.300 0.156 0.000 2.620 292 Y HA 0.209 4.759 4.550 0.000 0.000 0.330 292 Y C 1.465 177.446 175.900 0.135 0.000 1.186 292 Y CA -0.485 57.697 58.100 0.136 0.000 1.467 292 Y CB 0.328 38.890 38.460 0.169 0.000 1.262 292 Y HN 0.410 nan 8.280 nan 0.000 0.550 293 S N 0.386 116.201 115.700 0.193 0.000 2.600 293 S HA 0.079 4.548 4.470 -0.000 0.000 0.265 293 S C 1.332 175.990 174.600 0.097 0.000 1.325 293 S CA -0.101 58.165 58.200 0.110 0.000 1.002 293 S CB 0.971 64.193 63.200 0.037 0.000 0.921 293 S HN 0.753 nan 8.310 nan 0.000 0.554 294 T N -0.568 113.965 114.554 -0.035 0.000 2.788 294 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 294 T C 2.027 176.770 174.700 0.072 0.000 1.044 294 T CA 1.145 63.145 62.100 -0.167 0.000 1.139 294 T CB -1.168 67.476 68.868 -0.373 0.000 0.867 294 T HN 0.928 nan 8.240 nan 0.000 0.454 295 A N 1.861 124.694 122.820 0.022 0.000 1.892 295 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 295 A C 2.745 180.329 177.584 0.000 0.000 1.188 295 A CA 2.257 54.297 52.037 0.005 0.000 0.631 295 A CB -1.262 17.724 19.000 -0.024 0.000 0.822 295 A HN 0.549 nan 8.150 nan 0.000 0.447 296 S N -1.021 114.672 115.700 -0.012 0.000 2.368 296 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 296 S C 1.964 176.557 174.600 -0.012 0.000 1.030 296 S CA 1.403 59.555 58.200 -0.080 0.000 0.999 296 S CB -0.718 62.366 63.200 -0.194 0.000 0.844 296 S HN 0.721 nan 8.310 nan 0.000 0.459 297 C N 0.986 120.395 119.300 0.182 0.000 2.429 297 C HA 0.003 4.463 4.460 -0.000 0.000 0.277 297 C C 2.501 177.700 174.990 0.348 0.000 1.262 297 C CA 0.404 59.654 59.018 0.385 0.000 1.733 297 C CB -1.328 26.837 27.740 0.708 0.000 2.010 297 C HN 0.489 nan 8.230 nan 0.000 0.483 298 L N 1.715 123.099 121.223 0.268 0.000 2.056 298 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 298 L C 2.602 179.459 176.870 -0.021 0.000 1.078 298 L CA 2.247 57.121 54.840 0.057 0.000 0.749 298 L CB -1.012 40.949 42.059 -0.163 0.000 0.901 298 L HN 0.269 nan 8.230 nan 0.000 0.433 299 A N -0.864 121.922 122.820 -0.058 0.000 1.933 299 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 299 A C 2.185 179.670 177.584 -0.164 0.000 1.175 299 A CA 1.775 53.743 52.037 -0.116 0.000 0.628 299 A CB -0.939 17.983 19.000 -0.130 0.000 0.814 299 A HN 0.440 nan 8.150 nan 0.000 0.444 300 L N -0.017 121.084 121.223 -0.202 0.000 2.017 300 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 300 L C 2.683 179.381 176.870 -0.287 0.000 1.073 300 L CA 2.285 56.924 54.840 -0.335 0.000 0.745 300 L CB -1.336 40.391 42.059 -0.553 0.000 0.894 300 L HN 0.366 nan 8.230 nan 0.000 0.432 301 A N -0.994 121.736 122.820 -0.151 0.000 1.892 301 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 301 A C 2.178 179.735 177.584 -0.045 0.000 1.188 301 A CA 2.106 54.135 52.037 -0.013 0.000 0.631 301 A CB -0.623 18.532 19.000 0.259 0.000 0.822 301 A HN 0.684 nan 8.150 nan 0.000 0.447 302 Q N -0.887 118.872 119.800 -0.067 0.000 2.119 302 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 302 Q C 2.399 178.322 176.000 -0.128 0.000 0.972 302 Q CA 1.197 56.951 55.803 -0.082 0.000 0.847 302 Q CB -0.371 28.314 28.738 -0.088 0.000 0.903 302 Q HN 0.686 nan 8.270 nan 0.000 0.433 303 A N 1.060 123.769 122.820 -0.185 0.000 1.972 303 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 303 A C 2.244 179.672 177.584 -0.261 0.000 1.169 303 A CA 1.573 53.449 52.037 -0.269 0.000 0.635 303 A CB -0.644 18.169 19.000 -0.313 0.000 0.810 303 A HN 0.391 nan 8.150 nan 0.000 0.446 304 A N -0.677 122.035 122.820 -0.180 0.000 1.929 304 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 304 A C 2.259 179.812 177.584 -0.052 0.000 1.176 304 A CA 1.388 53.358 52.037 -0.112 0.000 0.628 304 A CB -0.233 18.723 19.000 -0.074 0.000 0.816 304 A HN 0.535 nan 8.150 nan 0.000 0.444 305 R N -0.702 119.773 120.500 -0.043 0.000 2.167 305 R HA 0.101 4.441 4.340 -0.000 0.000 0.201 305 R C -0.322 175.983 176.300 0.008 0.000 1.024 305 R CA 0.177 56.277 56.100 -0.000 0.000 1.053 305 R CB 0.012 30.318 30.300 0.009 0.000 0.987 305 R HN 0.359 nan 8.270 nan 0.000 0.493 306 D N 1.608 121.998 120.400 -0.016 0.000 2.360 306 D HA 0.129 4.769 4.640 -0.000 0.000 0.242 306 D C -2.272 174.059 176.300 0.051 0.000 1.184 306 D CA -1.580 52.422 54.000 0.003 0.000 0.930 306 D CB 0.056 40.841 40.800 -0.024 0.000 1.161 306 D HN -0.161 nan 8.370 nan 0.000 0.447 307 P HA 0.029 nan 4.420 nan 0.000 0.263 307 P C -0.633 176.786 177.300 0.198 0.000 1.175 307 P CA 0.348 63.510 63.100 0.102 0.000 0.761 307 P CB 0.136 31.875 31.700 0.066 0.000 0.794 308 F N 3.528 123.475 119.950 -0.004 0.000 3.361 308 F HA 0.449 4.976 4.527 -0.000 0.000 0.390 308 F C 0.725 176.530 175.800 0.008 0.000 1.251 308 F CA 0.209 58.205 58.000 -0.008 0.000 1.260 308 F CB 0.405 39.395 39.000 -0.016 0.000 1.847 308 F HN 0.629 nan 8.300 nan 0.000 0.673 309 G N 5.329 114.052 108.800 -0.129 0.000 2.632 309 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.322 309 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.322 309 G C 0.698 175.564 174.900 -0.056 0.000 1.326 309 G CA 0.658 45.675 45.100 -0.138 0.000 0.986 309 G HN 0.683 nan 8.290 nan 0.000 0.541 310 K N 0.162 120.527 120.400 -0.059 0.000 2.469 310 K HA 0.366 4.686 4.320 -0.000 0.000 0.201 310 K C 0.676 177.278 176.600 0.004 0.000 1.028 310 K CA -0.263 56.015 56.287 -0.015 0.000 1.170 310 K CB -0.033 32.459 32.500 -0.012 0.000 0.874 310 K HN 0.298 nan 8.250 nan 0.000 0.507 311 L N 1.791 123.015 121.223 0.002 0.000 2.371 311 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 311 L C 0.404 177.333 176.870 0.098 0.000 1.124 311 L CA -0.720 54.153 54.840 0.054 0.000 0.816 311 L CB 0.331 42.431 42.059 0.069 0.000 1.129 311 L HN 0.161 nan 8.230 nan 0.000 0.448 312 N N 1.324 120.080 118.700 0.093 0.000 2.374 312 N HA 0.127 4.867 4.740 -0.000 0.000 0.241 312 N C 0.041 175.616 175.510 0.109 0.000 1.262 312 N CA -0.031 53.073 53.050 0.089 0.000 0.880 312 N CB 0.763 39.297 38.487 0.079 0.000 1.105 312 N HN 0.716 nan 8.380 nan 0.000 0.438 313 A N 0.642 123.514 122.820 0.087 0.000 2.366 313 A HA 0.280 4.600 4.320 -0.000 0.000 0.249 313 A C 0.234 177.865 177.584 0.078 0.000 1.084 313 A CA -0.403 51.681 52.037 0.078 0.000 0.794 313 A CB 0.281 19.316 19.000 0.059 0.000 1.034 313 A HN 0.747 nan 8.150 nan 0.000 0.491 314 C N 2.643 121.985 119.300 0.069 0.000 2.351 314 C HA 0.693 5.153 4.460 -0.000 0.000 0.326 314 C C -0.280 174.748 174.990 0.064 0.000 1.272 314 C CA -0.990 58.074 59.018 0.077 0.000 1.650 314 C CB -1.003 26.789 27.740 0.087 0.000 2.257 314 C HN 0.647 nan 8.230 nan 0.000 0.505 315 I N 7.629 128.242 120.570 0.071 0.000 2.452 315 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 315 I C -1.949 174.217 176.117 0.082 0.000 1.079 315 I CA -1.476 59.863 61.300 0.064 0.000 1.387 315 I CB 0.166 38.200 38.000 0.057 0.000 1.404 315 I HN 0.490 nan 8.210 nan 0.000 0.522 316 P HA 0.126 nan 4.420 nan 0.000 0.271 316 P C -0.589 176.804 177.300 0.156 0.000 1.220 316 P CA -0.227 62.989 63.100 0.193 0.000 0.768 316 P CB 0.494 32.290 31.700 0.160 0.000 0.848 317 T N 4.966 119.630 114.554 0.183 0.000 3.241 317 T HA 0.346 4.696 4.350 -0.000 0.000 0.387 317 T C -2.556 171.857 174.700 -0.478 0.000 1.451 317 T CA -1.637 60.405 62.100 -0.098 0.000 1.363 317 T CB 0.341 69.193 68.868 -0.027 0.000 1.074 317 T HN 0.223 nan 8.240 nan 0.000 0.598 318 P HA 0.533 nan 4.420 nan 0.000 0.271 318 P C -0.973 175.954 177.300 -0.622 0.000 1.218 318 P CA -0.356 62.039 63.100 -1.174 0.000 0.780 318 P CB 0.698 31.903 31.700 -0.825 0.000 0.901 319 A N 1.588 124.056 122.820 -0.587 0.000 2.515 319 A HA 0.906 5.225 4.320 -0.000 0.000 0.298 319 A C -0.188 177.218 177.584 -0.296 0.000 1.059 319 A CA -0.061 51.762 52.037 -0.357 0.000 0.698 319 A CB 1.679 20.494 19.000 -0.309 0.000 1.289 319 A HN 0.732 nan 8.150 nan 0.000 0.404 320 G N -0.509 108.177 108.800 -0.189 0.000 2.368 320 G HA2 0.503 4.463 3.960 -0.000 0.000 0.269 320 G HA3 0.503 4.463 3.960 -0.000 0.000 0.269 320 G C 0.255 175.098 174.900 -0.095 0.000 1.291 320 G CA 0.173 45.200 45.100 -0.122 0.000 0.903 320 G HN 1.673 nan 8.290 nan 0.000 0.483 321 G N 0.586 109.339 108.800 -0.077 0.000 3.180 321 G HA2 0.403 4.363 3.960 -0.000 0.000 0.252 321 G HA3 0.403 4.363 3.960 -0.000 0.000 0.252 321 G C 0.361 175.224 174.900 -0.062 0.000 0.871 321 G CA -0.108 44.955 45.100 -0.061 0.000 1.979 321 G HN 0.503 nan 8.290 nan 0.000 0.624 322 I N 2.511 123.040 120.570 -0.068 0.000 2.372 322 I HA 0.138 4.308 4.170 -0.000 0.000 0.298 322 I C 0.938 177.073 176.117 0.028 0.000 1.137 322 I CA 0.070 61.356 61.300 -0.023 0.000 1.314 322 I CB -0.637 37.348 38.000 -0.025 0.000 1.444 322 I HN 0.350 nan 8.210 nan 0.000 0.541 323 M N 3.819 123.451 119.600 0.054 0.000 2.613 323 M HA 0.414 4.894 4.480 -0.000 0.000 0.301 323 M C 0.947 177.338 176.300 0.152 0.000 1.205 323 M CA -0.889 54.459 55.300 0.081 0.000 0.950 323 M CB 1.333 33.955 32.600 0.037 0.000 1.585 323 M HN 0.084 nan 8.290 nan 0.000 0.490 324 L N 1.249 122.564 121.223 0.154 0.000 2.189 324 L HA -0.215 4.125 4.340 -0.000 0.000 0.214 324 L C 2.574 179.482 176.870 0.063 0.000 1.097 324 L CA 2.273 57.191 54.840 0.131 0.000 0.764 324 L CB -1.082 41.036 42.059 0.099 0.000 0.900 324 L HN 1.010 nan 8.230 nan 0.000 0.436 325 Q N -1.651 118.181 119.800 0.054 0.000 2.378 325 Q HA -0.101 4.239 4.340 -0.000 0.000 0.205 325 Q C 1.670 177.689 176.000 0.032 0.000 0.954 325 Q CA 0.646 56.470 55.803 0.036 0.000 0.901 325 Q CB 0.035 28.790 28.738 0.028 0.000 0.981 325 Q HN 0.250 nan 8.270 nan 0.000 0.483 326 R N 0.161 120.683 120.500 0.038 0.000 2.265 326 R HA 0.148 4.488 4.340 -0.000 0.000 0.194 326 R C 2.054 178.368 176.300 0.024 0.000 0.931 326 R CA 0.477 56.591 56.100 0.025 0.000 1.032 326 R CB -0.167 30.137 30.300 0.007 0.000 0.980 326 R HN 0.146 nan 8.270 nan 0.000 0.497 327 V N 2.533 122.452 119.914 0.010 0.000 2.252 327 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 327 V C 1.830 177.885 176.094 -0.065 0.000 1.056 327 V CA 2.039 64.302 62.300 -0.063 0.000 1.022 327 V CB -0.447 31.254 31.823 -0.203 0.000 0.641 327 V HN 0.286 nan 8.190 nan 0.000 0.445 328 N N -0.218 118.481 118.700 -0.002 0.000 2.084 328 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 328 N C 1.874 177.412 175.510 0.048 0.000 1.030 328 N CA 1.603 54.688 53.050 0.059 0.000 0.849 328 N CB -0.483 38.103 38.487 0.165 0.000 1.012 328 N HN 0.673 nan 8.380 nan 0.000 0.423 329 E N 1.051 121.291 120.200 0.068 0.000 2.065 329 E HA -0.203 4.147 4.350 -0.000 0.000 0.201 329 E C 1.856 178.532 176.600 0.127 0.000 1.016 329 E CA 1.172 57.631 56.400 0.098 0.000 0.818 329 E CB -0.190 29.561 29.700 0.086 0.000 0.749 329 E HN 0.302 nan 8.360 nan 0.000 0.453 330 L N 0.270 121.555 121.223 0.103 0.000 2.141 330 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 330 L C 2.475 179.477 176.870 0.221 0.000 1.094 330 L CA 0.205 55.178 54.840 0.222 0.000 0.763 330 L CB -0.229 41.953 42.059 0.205 0.000 0.908 330 L HN 0.263 nan 8.230 nan 0.000 0.437 331 L N -0.403 120.781 121.223 -0.066 0.000 2.179 331 L HA -0.079 4.260 4.340 -0.000 0.000 0.208 331 L C 2.608 179.346 176.870 -0.220 0.000 1.096 331 L CA 1.443 56.091 54.840 -0.320 0.000 0.779 331 L CB -1.097 40.342 42.059 -1.035 0.000 0.922 331 L HN 0.198 nan 8.230 nan 0.000 0.443 332 R N -1.442 119.022 120.500 -0.061 0.000 2.075 332 R HA -0.183 4.156 4.340 -0.000 0.000 0.232 332 R C 2.223 178.574 176.300 0.084 0.000 1.126 332 R CA 1.339 57.502 56.100 0.104 0.000 0.963 332 R CB -0.444 29.949 30.300 0.154 0.000 0.858 332 R HN 0.153 nan 8.270 nan 0.000 0.435 333 F N -0.128 119.794 119.950 -0.047 0.000 2.075 333 F HA -0.207 4.320 4.527 0.000 0.000 0.297 333 F C 1.426 177.108 175.800 -0.197 0.000 1.113 333 F CA 1.540 59.438 58.000 -0.169 0.000 1.218 333 F CB -0.059 38.780 39.000 -0.268 0.000 0.984 333 F HN -0.048 nan 8.300 nan 0.000 0.472 334 Y N 0.201 120.604 120.300 0.171 0.000 2.478 334 Y HA 0.369 4.919 4.550 -0.000 0.000 0.261 334 Y C 1.371 177.277 175.900 0.010 0.000 1.127 334 Y CA 0.256 58.411 58.100 0.091 0.000 1.288 334 Y CB -0.346 38.243 38.460 0.215 0.000 1.084 334 Y HN 0.225 nan 8.280 nan 0.000 0.530 335 G N 0.487 109.360 108.800 0.122 0.000 2.741 335 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.222 335 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.222 335 G C 0.271 175.220 174.900 0.082 0.000 1.364 335 G CA -0.046 45.108 45.100 0.090 0.000 0.866 335 G HN 0.303 nan 8.290 nan 0.000 0.555 336 Q N -0.468 119.381 119.800 0.082 0.000 2.392 336 Q HA 0.120 4.460 4.340 -0.000 0.000 0.203 336 Q C 0.122 176.159 176.000 0.061 0.000 0.917 336 Q CA 0.274 56.116 55.803 0.065 0.000 0.939 336 Q CB 0.431 29.233 28.738 0.106 0.000 1.063 336 Q HN 0.471 nan 8.270 nan 0.000 0.516 337 D N 1.285 121.726 120.400 0.068 0.000 2.713 337 D HA 0.155 4.795 4.640 -0.000 0.000 0.229 337 D C -1.025 175.309 176.300 0.056 0.000 1.136 337 D CA 0.310 54.346 54.000 0.059 0.000 1.010 337 D CB 0.513 41.347 40.800 0.057 0.000 1.084 337 D HN -0.103 nan 8.370 nan 0.000 0.495 338 V N 1.197 121.134 119.914 0.038 0.000 3.147 338 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 338 V C -1.703 174.389 176.094 -0.003 0.000 1.302 338 V CA -0.925 61.375 62.300 0.001 0.000 1.015 338 V CB 2.618 34.427 31.823 -0.022 0.000 1.086 338 V HN 0.208 nan 8.190 nan 0.000 0.437 339 M N 6.187 125.773 119.600 -0.023 0.000 2.078 339 M HA 0.585 5.065 4.480 -0.000 0.000 0.320 339 M C -1.588 174.691 176.300 -0.036 0.000 0.969 339 M CA -0.551 54.747 55.300 -0.003 0.000 0.929 339 M CB 1.126 33.733 32.600 0.012 0.000 1.504 339 M HN 0.626 nan 8.290 nan 0.000 0.419 340 L N 5.504 126.743 121.223 0.028 0.000 2.361 340 L HA 0.274 4.613 4.340 -0.000 0.000 0.278 340 L C -0.547 176.327 176.870 0.007 0.000 1.113 340 L CA -0.608 54.259 54.840 0.045 0.000 0.849 340 L CB 0.542 42.744 42.059 0.238 0.000 1.155 340 L HN 0.611 nan 8.230 nan 0.000 0.452 341 L N 5.343 126.503 121.223 -0.105 0.000 2.261 341 L HA 0.439 4.779 4.340 -0.000 0.000 0.289 341 L C -0.282 176.469 176.870 -0.199 0.000 1.059 341 L CA 0.143 54.897 54.840 -0.144 0.000 0.816 341 L CB 0.822 42.792 42.059 -0.148 0.000 1.191 341 L HN 0.435 nan 8.230 nan 0.000 0.431 353 L N 0.734 121.954 121.223 -0.004 0.000 1.989 353 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 353 L C 1.680 178.545 176.870 -0.008 0.000 1.071 353 L CA 2.337 57.171 54.840 -0.010 0.000 0.749 353 L CB -0.426 41.624 42.059 -0.015 0.000 0.890 353 L HN 0.120 nan 8.230 nan 0.000 0.431 354 T N -0.713 113.837 114.554 -0.006 0.000 2.746 354 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 354 T C 1.728 176.430 174.700 0.004 0.000 1.039 354 T CA 1.571 63.666 62.100 -0.008 0.000 1.142 354 T CB -0.228 68.633 68.868 -0.012 0.000 0.866 354 T HN 0.529 nan 8.240 nan 0.000 0.444 355 E N 0.541 120.745 120.200 0.008 0.000 2.051 355 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 355 E C 2.261 178.876 176.600 0.025 0.000 0.991 355 E CA 1.003 57.412 56.400 0.015 0.000 0.799 355 E CB 0.018 29.725 29.700 0.012 0.000 0.748 355 E HN 0.318 nan 8.360 nan 0.000 0.449 356 Q N -0.111 119.702 119.800 0.023 0.000 2.167 356 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 356 Q C 2.013 178.049 176.000 0.059 0.000 0.970 356 Q CA 1.231 57.056 55.803 0.036 0.000 0.855 356 Q CB -0.265 28.485 28.738 0.020 0.000 0.911 356 Q HN 0.384 nan 8.270 nan 0.000 0.438 357 A N 0.519 123.362 122.820 0.038 0.000 1.898 357 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 357 A C 2.454 180.102 177.584 0.106 0.000 1.181 357 A CA 1.612 53.680 52.037 0.052 0.000 0.620 357 A CB -0.435 18.569 19.000 0.007 0.000 0.819 357 A HN 0.310 nan 8.150 nan 0.000 0.442 358 S N -0.507 115.233 115.700 0.067 0.000 2.368 358 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 358 S C 2.163 176.810 174.600 0.077 0.000 1.030 358 S CA 1.011 59.248 58.200 0.062 0.000 0.999 358 S CB -0.347 62.873 63.200 0.033 0.000 0.844 358 S HN 0.473 nan 8.310 nan 0.000 0.459 359 R N 0.368 120.916 120.500 0.081 0.000 2.096 359 R HA -0.089 4.251 4.340 -0.000 0.000 0.240 359 R C 2.026 178.384 176.300 0.098 0.000 1.139 359 R CA 1.525 57.670 56.100 0.076 0.000 0.952 359 R CB -0.980 29.365 30.300 0.075 0.000 0.854 359 R HN 0.510 nan 8.270 nan 0.000 0.436 360 F N 0.862 120.814 119.950 0.002 0.000 2.075 360 F HA -0.214 4.313 4.527 0.000 0.000 0.297 360 F C 2.329 178.134 175.800 0.008 0.000 1.113 360 F CA 1.394 59.396 58.000 0.003 0.000 1.218 360 F CB -0.453 38.544 39.000 -0.006 0.000 0.984 360 F HN -0.251 nan 8.300 nan 0.000 0.472 361 V N 1.237 121.293 119.914 0.237 0.000 2.282 361 V HA -0.387 3.733 4.120 -0.000 0.000 0.249 361 V C 2.163 178.252 176.094 -0.009 0.000 1.057 361 V CA 2.329 64.699 62.300 0.117 0.000 1.032 361 V CB -0.860 31.042 31.823 0.132 0.000 0.645 361 V HN 0.421 nan 8.190 nan 0.000 0.447 362 N N 0.032 118.732 118.700 0.000 0.000 2.188 362 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 362 N C 1.823 177.307 175.510 -0.043 0.000 1.018 362 N CA 1.351 54.393 53.050 -0.012 0.000 0.858 362 N CB -0.334 38.155 38.487 0.004 0.000 0.989 362 N HN 0.463 nan 8.380 nan 0.000 0.426 363 K N 1.230 121.576 120.400 -0.090 0.000 2.057 363 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 363 K C 1.771 178.297 176.600 -0.124 0.000 1.049 363 K CA 0.840 57.061 56.287 -0.111 0.000 0.931 363 K CB -0.286 32.114 32.500 -0.166 0.000 0.714 363 K HN -0.101 nan 8.250 nan 0.000 0.440 364 V N 0.861 120.634 119.914 -0.236 0.000 2.307 364 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 364 V C 2.363 178.445 176.094 -0.020 0.000 1.045 364 V CA 1.947 64.141 62.300 -0.177 0.000 1.024 364 V CB -0.890 30.776 31.823 -0.263 0.000 0.651 364 V HN 0.508 nan 8.190 nan 0.000 0.449 365 A N -0.206 122.604 122.820 -0.017 0.000 1.972 365 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 365 A C 1.871 179.477 177.584 0.037 0.000 1.169 365 A CA 1.975 54.024 52.037 0.020 0.000 0.635 365 A CB -0.519 18.489 19.000 0.013 0.000 0.810 365 A HN 0.550 nan 8.150 nan 0.000 0.446 366 D N -2.179 118.238 120.400 0.029 0.000 2.347 366 D HA 0.024 4.664 4.640 -0.000 0.000 0.213 366 D C 0.296 176.611 176.300 0.026 0.000 0.985 366 D CA 0.131 54.143 54.000 0.019 0.000 0.879 366 D CB -0.301 40.502 40.800 0.004 0.000 0.919 366 D HN 0.544 nan 8.370 nan 0.000 0.526 367 Y N 1.345 121.625 120.300 -0.033 0.000 2.620 367 Y HA 0.244 4.794 4.550 -0.000 0.000 0.330 367 Y C 1.492 177.388 175.900 -0.007 0.000 1.186 367 Y CA 0.832 58.919 58.100 -0.021 0.000 1.467 367 Y CB 0.426 38.872 38.460 -0.023 0.000 1.262 367 Y HN 0.197 nan 8.280 nan 0.000 0.550 368 G N 4.649 112.955 108.800 -0.824 0.000 2.198 368 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.260 368 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.260 368 G C -0.335 174.436 174.900 -0.216 0.000 1.025 368 G CA 0.472 45.233 45.100 -0.566 0.000 0.769 368 G HN 0.957 nan 8.290 nan 0.000 0.507 369 Q N -1.349 118.354 119.800 -0.163 0.000 2.484 369 Q HA 0.706 5.046 4.340 -0.000 0.000 0.285 369 Q C -0.000 175.955 176.000 -0.076 0.000 1.097 369 Q CA -1.338 54.414 55.803 -0.086 0.000 0.802 369 Q CB 1.547 30.259 28.738 -0.043 0.000 1.444 369 Q HN 0.260 nan 8.270 nan 0.000 0.429 370 R N 1.324 121.794 120.500 -0.051 0.000 2.585 370 R HA 0.036 4.376 4.340 -0.000 0.000 0.275 370 R C -0.136 176.143 176.300 -0.035 0.000 1.018 370 R CA 0.316 56.391 56.100 -0.041 0.000 1.072 370 R CB 0.259 30.542 30.300 -0.029 0.000 0.953 370 R HN 0.597 nan 8.270 nan 0.000 0.419 371 E N 0.000 120.180 120.200 -0.034 0.000 2.725 371 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 371 E CA 0.000 56.385 56.400 -0.025 0.000 0.976 371 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 371 E HN 0.000 nan 8.360 nan 0.000 0.440