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 1t86_1_A DATA FIRST_RESID 9 DATA SEQUENCE ANLAPLPPHV PEHLVFDFDM YNPSNLSAGV QEAWAVLQES NVPDLVWTRC DATA SEQUENCE NGGHWIATRG QLIREAYEDY RHFSSECPFI PREAGEAYDF IPTSMDPPEQ DATA SEQUENCE RQFRALANQV VGMPVVDKLE NRIQELACSL IESLRPQGQC NFTEDYAEPF DATA SEQUENCE PIRIFMLLAG LPEEDIPHLK YLTDQMTRPD GSMTFAEAKE ALYDYLIPII DATA SEQUENCE EQRRQKPGTD AISIVANGQV NGRPITSDEA KRMCGLLLVG GLDTVVNFLS DATA SEQUENCE FSMEFLAKSP EHRQELIERP ERIPAACEEL LRRFSLVADG RILTSDYEFH DATA SEQUENCE GVQLKKGDQI LLPQMLSGLD ERENAAPMHV DFSRQKVSHT TFGHGSHLCP DATA SEQUENCE GQHLARREII VTLKEWLTRI PDFSIAPGAQ IQHKSGIVSG VQALPLVWDP DATA SEQUENCE ATTKAV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.555 177.584 -0.049 0.000 1.274 9 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 9 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 10 N N 1.652 120.322 118.700 -0.050 0.000 2.868 10 N HA 0.423 5.163 4.740 -0.001 0.000 0.252 10 N C -1.207 174.276 175.510 -0.046 0.000 1.130 10 N CA 0.338 53.364 53.050 -0.041 0.000 1.026 10 N CB 0.013 38.478 38.487 -0.036 0.000 1.335 10 N HN 0.427 nan 8.380 nan 0.000 0.516 11 L N 1.105 122.303 121.223 -0.042 0.000 2.282 11 L HA 0.543 4.882 4.340 -0.001 0.000 0.288 11 L C 0.709 177.571 176.870 -0.013 0.000 1.033 11 L CA -0.933 53.883 54.840 -0.041 0.000 0.807 11 L CB 1.394 43.425 42.059 -0.046 0.000 1.209 11 L HN 0.202 nan 8.230 nan 0.000 0.423 12 A N 5.431 128.253 122.820 0.002 0.000 2.371 12 A HA 0.567 4.887 4.320 -0.001 0.000 0.257 12 A C -2.176 175.443 177.584 0.059 0.000 1.089 12 A CA -1.232 50.827 52.037 0.036 0.000 0.794 12 A CB -0.251 18.785 19.000 0.060 0.000 1.029 12 A HN 0.509 nan 8.150 nan 0.000 0.488 13 P HA 0.059 nan 4.420 nan 0.000 0.264 13 P C -0.418 176.904 177.300 0.036 0.000 1.193 13 P CA -0.169 62.949 63.100 0.030 0.000 0.763 13 P CB 0.396 32.107 31.700 0.018 0.000 0.810 14 L N 7.110 128.328 121.223 -0.009 0.000 2.534 14 L HA 0.181 4.521 4.340 -0.001 0.000 0.271 14 L C -2.068 174.680 176.870 -0.203 0.000 1.178 14 L CA -1.262 53.511 54.840 -0.111 0.000 0.907 14 L CB -0.876 41.099 42.059 -0.140 0.000 1.164 14 L HN 0.301 nan 8.230 nan 0.000 0.482 15 P HA 0.147 nan 4.420 nan 0.000 0.269 15 P C -2.128 175.008 177.300 -0.273 0.000 1.209 15 P CA -0.891 62.038 63.100 -0.285 0.000 0.776 15 P CB 0.193 31.636 31.700 -0.428 0.000 0.876 16 P HA -0.198 nan 4.420 nan 0.000 0.218 16 P C 1.126 178.401 177.300 -0.040 0.000 1.148 16 P CA 1.417 64.488 63.100 -0.048 0.000 0.822 16 P CB -0.377 31.331 31.700 0.013 0.000 0.784 17 H N -1.928 117.070 119.070 -0.119 0.000 2.547 17 H HA 0.110 4.665 4.556 -0.000 0.000 0.266 17 H C -0.050 175.235 175.328 -0.072 0.000 0.988 17 H CA 0.263 56.270 56.048 -0.067 0.000 1.147 17 H CB -0.781 28.972 29.762 -0.016 0.000 1.365 17 H HN -0.062 nan 8.280 nan 0.000 0.589 18 V N 4.024 123.571 119.914 -0.612 0.000 2.364 18 V HA 0.219 4.338 4.120 -0.001 0.000 0.272 18 V C -2.105 173.806 176.094 -0.306 0.000 1.036 18 V CA -1.697 60.270 62.300 -0.554 0.000 0.880 18 V CB 1.277 32.449 31.823 -1.086 0.000 0.991 18 V HN 0.174 nan 8.190 nan 0.000 0.460 19 P HA 0.175 nan 4.420 nan 0.000 0.268 19 P C 0.410 177.566 177.300 -0.240 0.000 1.204 19 P CA -0.176 62.804 63.100 -0.200 0.000 0.768 19 P CB 0.816 32.323 31.700 -0.322 0.000 0.842 20 E N 1.162 121.295 120.200 -0.111 0.000 2.160 20 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 20 E C 1.427 178.019 176.600 -0.013 0.000 0.991 20 E CA 1.574 57.942 56.400 -0.054 0.000 0.810 20 E CB -0.906 28.797 29.700 0.004 0.000 0.742 20 E HN 0.681 nan 8.360 nan 0.000 0.466 21 H N -1.080 118.012 119.070 0.037 0.000 2.559 21 H HA 0.115 4.671 4.556 -0.001 0.000 0.273 21 H C 1.256 176.638 175.328 0.090 0.000 1.000 21 H CA 0.633 56.714 56.048 0.056 0.000 1.195 21 H CB -0.171 29.617 29.762 0.043 0.000 1.368 21 H HN 0.123 nan 8.280 nan 0.000 0.592 22 L N 0.677 121.767 121.223 -0.222 0.000 2.640 22 L HA 0.235 4.575 4.340 -0.001 0.000 0.230 22 L C -0.142 176.797 176.870 0.115 0.000 1.123 22 L CA -0.353 54.480 54.840 -0.011 0.000 0.900 22 L CB 0.692 42.762 42.059 0.018 0.000 1.146 22 L HN 0.121 nan 8.230 nan 0.000 0.484 23 V N 0.745 120.709 119.914 0.083 0.000 2.508 23 V HA 0.092 4.212 4.120 -0.001 0.000 0.281 23 V C -0.626 175.581 176.094 0.189 0.000 1.041 23 V CA 0.129 62.504 62.300 0.126 0.000 1.016 23 V CB 1.062 32.924 31.823 0.064 0.000 0.984 23 V HN 0.086 nan 8.190 nan 0.000 0.478 24 F N 3.708 123.661 119.950 0.006 0.000 2.941 24 F HA 0.384 4.910 4.527 -0.001 0.000 0.359 24 F C 0.061 175.840 175.800 -0.036 0.000 1.231 24 F CA -0.817 57.181 58.000 -0.005 0.000 1.089 24 F CB 1.300 40.300 39.000 0.001 0.000 1.407 24 F HN 0.526 nan 8.300 nan 0.000 0.538 25 D N 6.316 126.497 120.400 -0.365 0.000 2.597 25 D HA -0.021 4.618 4.640 -0.001 0.000 0.228 25 D C -0.273 175.869 176.300 -0.263 0.000 1.120 25 D CA 0.533 54.364 54.000 -0.282 0.000 1.083 25 D CB -0.251 40.398 40.800 -0.251 0.000 1.116 25 D HN 0.251 nan 8.370 nan 0.000 0.487 26 F N 1.731 121.528 119.950 -0.254 0.000 2.396 26 F HA 0.161 4.687 4.527 -0.001 0.000 0.343 26 F C 0.332 175.993 175.800 -0.232 0.000 1.104 26 F CA -0.822 57.063 58.000 -0.193 0.000 1.161 26 F CB 1.023 39.994 39.000 -0.049 0.000 1.146 26 F HN -0.126 nan 8.300 nan 0.000 0.522 27 D N 7.014 126.881 120.400 -0.888 0.000 2.460 27 D HA 0.117 4.757 4.640 -0.001 0.000 0.232 27 D C 0.885 176.663 176.300 -0.869 0.000 1.079 27 D CA -0.463 53.179 54.000 -0.596 0.000 0.864 27 D CB 0.948 41.525 40.800 -0.371 0.000 1.048 27 D HN 0.741 nan 8.370 nan 0.000 0.523 28 M N 1.915 121.182 119.600 -0.555 0.000 2.446 28 M HA -0.104 4.376 4.480 -0.001 0.000 0.263 28 M C 0.251 176.339 176.300 -0.354 0.000 1.066 28 M CA 1.282 56.292 55.300 -0.483 0.000 1.087 28 M CB -0.228 32.278 32.600 -0.156 0.000 1.406 28 M HN 0.223 nan 8.290 nan 0.000 0.459 29 Y N 0.155 120.388 120.300 -0.112 0.000 2.462 29 Y HA 0.242 4.791 4.550 -0.001 0.000 0.261 29 Y C 0.461 176.324 175.900 -0.061 0.000 1.146 29 Y CA -0.099 57.984 58.100 -0.029 0.000 1.283 29 Y CB 0.460 38.907 38.460 -0.022 0.000 1.090 29 Y HN 0.440 nan 8.280 nan 0.000 0.526 30 N N 0.234 118.896 118.700 -0.065 0.000 2.679 30 N HA 0.126 4.866 4.740 -0.001 0.000 0.240 30 N C -3.235 172.128 175.510 -0.245 0.000 1.537 30 N CA -1.532 51.464 53.050 -0.089 0.000 0.793 30 N CB 0.679 39.141 38.487 -0.043 0.000 1.391 30 N HN -0.219 nan 8.380 nan 0.000 0.524 31 P HA 0.079 nan 4.420 nan 0.000 0.266 31 P C 0.542 177.714 177.300 -0.214 0.000 1.195 31 P CA 0.016 62.810 63.100 -0.509 0.000 0.768 31 P CB 1.232 32.627 31.700 -0.510 0.000 0.838 32 S N 1.785 117.375 115.700 -0.184 0.000 2.387 32 S HA -0.194 4.276 4.470 -0.001 0.000 0.230 32 S C 1.415 176.004 174.600 -0.018 0.000 1.035 32 S CA 1.795 59.946 58.200 -0.082 0.000 1.014 32 S CB -0.666 62.495 63.200 -0.066 0.000 0.836 32 S HN 0.630 nan 8.310 nan 0.000 0.466 33 N N 0.756 119.470 118.700 0.023 0.000 2.320 33 N HA 0.177 4.916 4.740 -0.001 0.000 0.237 33 N C 0.889 176.439 175.510 0.068 0.000 1.129 33 N CA -0.130 52.950 53.050 0.051 0.000 0.854 33 N CB -0.183 38.351 38.487 0.078 0.000 1.083 33 N HN 0.121 nan 8.380 nan 0.000 0.504 34 L N 0.424 121.681 121.223 0.058 0.000 2.081 34 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 34 L C 2.092 179.002 176.870 0.066 0.000 1.080 34 L CA 1.961 56.858 54.840 0.094 0.000 0.754 34 L CB -1.093 41.015 42.059 0.081 0.000 0.893 34 L HN 0.379 nan 8.230 nan 0.000 0.433 35 S N -0.999 114.721 115.700 0.034 0.000 2.465 35 S HA -0.109 4.361 4.470 -0.001 0.000 0.241 35 S C 1.893 176.490 174.600 -0.006 0.000 1.000 35 S CA 0.773 58.977 58.200 0.007 0.000 0.964 35 S CB -0.844 62.361 63.200 0.008 0.000 0.763 35 S HN 0.509 nan 8.310 nan 0.000 0.512 36 A N 0.987 123.821 122.820 0.023 0.000 2.218 36 A HA 0.590 4.910 4.320 -0.001 0.000 0.209 36 A C 1.158 178.762 177.584 0.034 0.000 1.168 36 A CA 0.331 52.386 52.037 0.030 0.000 0.804 36 A CB -0.667 18.365 19.000 0.053 0.000 0.834 36 A HN 1.574 nan 8.150 nan 0.000 0.482 37 G N -2.302 106.511 108.800 0.022 0.000 2.627 37 G HA2 0.126 4.086 3.960 -0.001 0.000 0.680 37 G HA3 0.126 4.086 3.960 -0.001 0.000 0.680 37 G C 0.360 175.446 174.900 0.310 0.000 1.341 37 G CA -0.163 44.980 45.100 0.073 0.000 0.835 37 G HN 0.825 nan 8.290 nan 0.000 0.643 38 V N 1.378 121.670 119.914 0.630 0.000 2.358 38 V HA -0.142 3.977 4.120 -0.001 0.000 0.246 38 V C 2.679 179.010 176.094 0.395 0.000 1.047 38 V CA 3.307 65.904 62.300 0.494 0.000 1.035 38 V CB -0.317 31.799 31.823 0.488 0.000 0.658 38 V HN 0.803 nan 8.190 nan 0.000 0.452 39 Q N -0.006 119.909 119.800 0.192 0.000 2.124 39 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 39 Q C 2.085 178.177 176.000 0.153 0.000 0.977 39 Q CA 2.191 58.031 55.803 0.062 0.000 0.850 39 Q CB -0.306 28.362 28.738 -0.117 0.000 0.901 39 Q HN 0.702 nan 8.270 nan 0.000 0.429 40 E N 0.098 120.393 120.200 0.159 0.000 2.110 40 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 40 E C 1.812 178.520 176.600 0.180 0.000 0.988 40 E CA 1.224 57.705 56.400 0.133 0.000 0.804 40 E CB -0.338 29.430 29.700 0.115 0.000 0.745 40 E HN 0.410 nan 8.360 nan 0.000 0.458 41 A N -0.164 122.805 122.820 0.250 0.000 1.902 41 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 41 A C 1.759 179.540 177.584 0.329 0.000 1.181 41 A CA 1.252 53.444 52.037 0.258 0.000 0.623 41 A CB -0.931 18.217 19.000 0.246 0.000 0.818 41 A HN 0.361 nan 8.150 nan 0.000 0.443 42 W N -0.358 121.057 121.300 0.192 0.000 2.436 42 W HA 0.122 4.781 4.660 -0.000 0.000 0.284 42 W C 2.609 179.072 176.519 -0.093 0.000 1.225 42 W CA 1.051 58.441 57.345 0.074 0.000 1.271 42 W CB -0.276 29.193 29.460 0.016 0.000 1.114 42 W HN 0.353 nan 8.180 nan 0.000 0.559 43 A N 0.431 123.354 122.820 0.173 0.000 2.178 43 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 43 A C 1.962 179.545 177.584 -0.002 0.000 1.157 43 A CA 1.746 53.811 52.037 0.046 0.000 0.689 43 A CB -1.226 17.794 19.000 0.034 0.000 0.787 43 A HN 0.272 nan 8.150 nan 0.000 0.465 44 V N -2.535 117.400 119.914 0.034 0.000 2.867 44 V HA -0.134 3.986 4.120 -0.001 0.000 0.260 44 V C 1.907 177.928 176.094 -0.121 0.000 1.099 44 V CA 1.753 64.070 62.300 0.029 0.000 1.122 44 V CB -0.902 31.017 31.823 0.160 0.000 0.708 44 V HN 0.455 nan 8.190 nan 0.000 0.490 45 L N -0.355 120.730 121.223 -0.231 0.000 2.551 45 L HA 0.027 4.367 4.340 -0.001 0.000 0.228 45 L C 2.383 179.066 176.870 -0.312 0.000 1.153 45 L CA 1.089 55.672 54.840 -0.428 0.000 0.851 45 L CB -0.330 41.446 42.059 -0.472 0.000 0.959 45 L HN 0.414 nan 8.230 nan 0.000 0.451 46 Q N -0.753 118.933 119.800 -0.190 0.000 2.198 46 Q HA 0.136 4.476 4.340 -0.001 0.000 0.209 46 Q C -0.060 175.872 176.000 -0.113 0.000 0.848 46 Q CA -0.172 55.547 55.803 -0.141 0.000 0.974 46 Q CB 0.708 29.388 28.738 -0.097 0.000 1.115 46 Q HN 0.435 nan 8.270 nan 0.000 0.494 47 E N 0.330 120.456 120.200 -0.122 0.000 2.371 47 E HA 0.010 4.360 4.350 -0.001 0.000 0.257 47 E C 0.897 177.447 176.600 -0.084 0.000 1.134 47 E CA 0.241 56.595 56.400 -0.077 0.000 0.919 47 E CB 0.865 30.538 29.700 -0.046 0.000 1.025 47 E HN 0.169 nan 8.360 nan 0.000 0.438 48 S N 1.252 116.922 115.700 -0.051 0.000 2.419 48 S HA -0.260 4.210 4.470 -0.001 0.000 0.235 48 S C 1.288 175.865 174.600 -0.039 0.000 1.019 48 S CA 1.780 59.955 58.200 -0.043 0.000 0.982 48 S CB -0.623 62.562 63.200 -0.024 0.000 0.789 48 S HN 0.679 nan 8.310 nan 0.000 0.490 49 N N 0.485 119.165 118.700 -0.032 0.000 2.515 49 N HA 0.059 4.799 4.740 -0.001 0.000 0.185 49 N C -0.268 175.218 175.510 -0.040 0.000 1.109 49 N CA 0.227 53.275 53.050 -0.004 0.000 0.903 49 N CB -0.030 38.486 38.487 0.050 0.000 0.969 49 N HN 0.291 nan 8.380 nan 0.000 0.450 50 V N 1.527 121.352 119.914 -0.148 0.000 2.370 50 V HA 0.375 4.494 4.120 -0.001 0.000 0.279 50 V C -2.007 173.997 176.094 -0.150 0.000 1.029 50 V CA -1.842 60.303 62.300 -0.259 0.000 0.870 50 V CB 1.075 32.550 31.823 -0.581 0.000 0.984 50 V HN 0.054 nan 8.190 nan 0.000 0.451 51 P HA 0.157 nan 4.420 nan 0.000 0.271 51 P C 0.399 177.666 177.300 -0.054 0.000 1.233 51 P CA -0.260 62.829 63.100 -0.019 0.000 0.789 51 P CB 0.671 32.411 31.700 0.065 0.000 0.951 52 D N -0.391 119.979 120.400 -0.051 0.000 2.123 52 D HA -0.091 4.549 4.640 -0.001 0.000 0.196 52 D C 0.485 176.753 176.300 -0.054 0.000 0.992 52 D CA 1.583 55.532 54.000 -0.085 0.000 0.833 52 D CB -0.212 40.512 40.800 -0.127 0.000 0.954 52 D HN 0.073 nan 8.370 nan 0.000 0.455 53 L N 0.639 121.868 121.223 0.010 0.000 2.376 53 L HA 0.380 4.720 4.340 -0.001 0.000 0.275 53 L C -0.725 176.295 176.870 0.250 0.000 0.987 53 L CA -0.897 54.008 54.840 0.108 0.000 0.828 53 L CB 1.791 43.887 42.059 0.062 0.000 1.249 53 L HN -0.124 nan 8.230 nan 0.000 0.409 54 V N 1.725 121.831 119.914 0.320 0.000 3.126 54 V HA 0.674 4.794 4.120 -0.001 0.000 0.314 54 V C -1.345 174.998 176.094 0.415 0.000 1.138 54 V CA -0.808 61.705 62.300 0.355 0.000 1.034 54 V CB 2.072 34.007 31.823 0.186 0.000 1.075 54 V HN 0.926 nan 8.190 nan 0.000 0.442 55 W N 2.017 123.288 121.300 -0.049 0.000 2.532 55 W HA 0.662 5.322 4.660 -0.001 0.000 0.321 55 W C -0.928 175.417 176.519 -0.290 0.000 1.037 55 W CA -0.221 56.860 57.345 -0.440 0.000 1.220 55 W CB 1.879 30.786 29.460 -0.923 0.000 1.361 55 W HN 0.877 nan 8.180 nan 0.000 0.468 56 T N 5.254 119.281 114.554 -0.878 0.000 2.859 56 T HA 0.381 4.731 4.350 -0.001 0.000 0.281 56 T C 0.947 175.133 174.700 -0.856 0.000 1.005 56 T CA -0.418 61.295 62.100 -0.644 0.000 1.025 56 T CB 1.165 69.703 68.868 -0.551 0.000 0.977 56 T HN 0.631 nan 8.240 nan 0.000 0.458 57 R N 1.882 122.162 120.500 -0.366 0.000 2.310 57 R HA 0.207 4.547 4.340 -0.001 0.000 0.202 57 R C 0.512 176.698 176.300 -0.191 0.000 0.933 57 R CA -0.185 55.805 56.100 -0.182 0.000 1.054 57 R CB -0.214 30.081 30.300 -0.009 0.000 0.985 57 R HN 0.546 nan 8.270 nan 0.000 0.489 58 C N 1.302 120.453 119.300 -0.248 0.000 2.595 58 C HA 0.119 4.579 4.460 -0.001 0.000 0.384 58 C C 0.849 175.782 174.990 -0.095 0.000 1.289 58 C CA -0.484 58.440 59.018 -0.157 0.000 2.372 58 C CB 0.070 27.712 27.740 -0.164 0.000 2.593 58 C HN 0.678 nan 8.230 nan 0.000 0.639 59 N N 0.561 119.253 118.700 -0.014 0.000 2.727 59 N HA -0.148 4.592 4.740 -0.001 0.000 0.249 59 N C 0.738 176.274 175.510 0.045 0.000 1.048 59 N CA 0.902 53.983 53.050 0.052 0.000 0.714 59 N CB -1.186 37.401 38.487 0.168 0.000 0.959 59 N HN 1.388 nan 8.380 nan 0.000 0.544 60 G N -1.863 106.939 108.800 0.003 0.000 2.217 60 G HA2 0.091 4.050 3.960 -0.001 0.000 0.246 60 G HA3 0.091 4.050 3.960 -0.001 0.000 0.246 60 G C 0.556 175.454 174.900 -0.002 0.000 0.990 60 G CA 0.338 45.449 45.100 0.017 0.000 0.627 60 G HN 1.634 nan 8.290 nan 0.000 0.522 61 G N -0.691 108.018 108.800 -0.152 0.000 3.307 61 G HA2 0.552 4.512 3.960 -0.001 0.000 0.686 61 G HA3 0.552 4.512 3.960 -0.001 0.000 0.686 61 G C -0.486 173.877 174.900 -0.895 0.000 0.983 61 G CA 0.670 45.455 45.100 -0.525 0.000 0.804 61 G HN 2.871 nan 8.290 nan 0.000 0.531 62 H N -1.505 116.565 119.070 -1.666 0.000 2.987 62 H HA 0.657 5.213 4.556 -0.001 0.000 0.316 62 H C -0.649 174.079 175.328 -0.999 0.000 1.380 62 H CA -1.633 53.712 56.048 -1.171 0.000 1.160 62 H CB 0.103 29.625 29.762 -0.400 0.000 1.865 62 H HN 0.657 nan 8.280 nan 0.000 0.521 63 W N 0.866 122.141 121.300 -0.042 0.000 2.215 63 W HA 0.627 5.287 4.660 -0.001 0.000 0.342 63 W C -0.254 176.355 176.519 0.149 0.000 1.237 63 W CA -0.523 56.899 57.345 0.128 0.000 1.283 63 W CB 0.840 30.468 29.460 0.279 0.000 1.131 63 W HN 0.448 nan 8.180 nan 0.000 0.606 64 I N 2.364 123.154 120.570 0.367 0.000 2.548 64 I HA 0.368 4.537 4.170 -0.001 0.000 0.287 64 I C -0.384 175.823 176.117 0.151 0.000 1.103 64 I CA -1.143 60.288 61.300 0.218 0.000 1.049 64 I CB 1.425 39.488 38.000 0.105 0.000 1.232 64 I HN 0.444 nan 8.210 nan 0.000 0.429 65 A N 3.209 126.078 122.820 0.082 0.000 2.328 65 A HA 0.548 4.868 4.320 -0.001 0.000 0.284 65 A C 0.846 178.416 177.584 -0.025 0.000 1.160 65 A CA -0.167 51.880 52.037 0.017 0.000 0.818 65 A CB 0.366 19.347 19.000 -0.032 0.000 1.087 65 A HN 0.846 nan 8.150 nan 0.000 0.504 66 T N -0.433 114.083 114.554 -0.062 0.000 3.054 66 T HA 0.254 4.604 4.350 -0.001 0.000 0.255 66 T C 0.537 175.180 174.700 -0.095 0.000 1.035 66 T CA -0.130 61.914 62.100 -0.093 0.000 0.941 66 T CB 0.060 68.842 68.868 -0.143 0.000 1.026 66 T HN 0.507 nan 8.240 nan 0.000 0.533 67 R N 0.404 120.844 120.500 -0.100 0.000 2.670 67 R HA 0.595 4.934 4.340 -0.001 0.000 0.289 67 R C 1.514 177.757 176.300 -0.095 0.000 0.965 67 R CA -0.365 55.674 56.100 -0.103 0.000 0.899 67 R CB 1.144 31.370 30.300 -0.124 0.000 1.173 67 R HN 0.216 nan 8.270 nan 0.000 0.456 68 G N 1.211 109.961 108.800 -0.083 0.000 2.503 68 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.221 68 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.221 68 G C 1.066 175.914 174.900 -0.086 0.000 1.131 68 G CA 0.880 45.933 45.100 -0.079 0.000 0.756 68 G HN 0.646 nan 8.290 nan 0.000 0.572 69 Q N -0.584 119.161 119.800 -0.091 0.000 2.030 69 Q HA -0.110 4.230 4.340 -0.001 0.000 0.204 69 Q C 2.536 178.487 176.000 -0.081 0.000 0.986 69 Q CA 1.280 57.035 55.803 -0.080 0.000 0.843 69 Q CB -0.180 28.504 28.738 -0.091 0.000 0.904 69 Q HN 0.397 nan 8.270 nan 0.000 0.420 70 L N 0.430 121.555 121.223 -0.162 0.000 2.093 70 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 70 L C 2.237 179.099 176.870 -0.012 0.000 1.085 70 L CA 1.330 56.093 54.840 -0.129 0.000 0.755 70 L CB -0.523 41.395 42.059 -0.236 0.000 0.904 70 L HN 0.294 nan 8.230 nan 0.000 0.435 71 I N -0.897 119.633 120.570 -0.068 0.000 2.179 71 I HA -0.324 3.846 4.170 -0.001 0.000 0.242 71 I C 2.662 178.780 176.117 0.002 0.000 1.088 71 I CA 1.256 62.505 61.300 -0.085 0.000 1.357 71 I CB -0.260 37.733 38.000 -0.012 0.000 1.051 71 I HN 0.196 nan 8.210 nan 0.000 0.409 72 R N 0.551 121.054 120.500 0.005 0.000 2.073 72 R HA -0.166 4.174 4.340 -0.001 0.000 0.234 72 R C 2.246 178.673 176.300 0.211 0.000 1.134 72 R CA 1.476 57.572 56.100 -0.007 0.000 0.952 72 R CB -0.338 29.797 30.300 -0.275 0.000 0.850 72 R HN 0.402 nan 8.270 nan 0.000 0.433 73 E N 0.364 120.668 120.200 0.173 0.000 2.058 73 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 73 E C 2.063 178.814 176.600 0.252 0.000 0.997 73 E CA 1.319 57.887 56.400 0.280 0.000 0.801 73 E CB -0.126 29.812 29.700 0.398 0.000 0.746 73 E HN 0.393 nan 8.360 nan 0.000 0.450 74 A N 0.448 123.277 122.820 0.016 0.000 1.898 74 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 74 A C 1.814 179.311 177.584 -0.145 0.000 1.181 74 A CA 1.194 52.955 52.037 -0.461 0.000 0.620 74 A CB -0.716 17.556 19.000 -1.212 0.000 0.819 74 A HN 0.263 nan 8.150 nan 0.000 0.442 75 Y N 0.422 120.768 120.300 0.076 0.000 2.421 75 Y HA -0.096 4.454 4.550 -0.001 0.000 0.292 75 Y C 2.335 178.381 175.900 0.243 0.000 1.136 75 Y CA 1.311 59.520 58.100 0.181 0.000 1.255 75 Y CB -0.238 38.359 38.460 0.228 0.000 0.991 75 Y HN 0.490 nan 8.280 nan 0.000 0.552 76 E N -0.904 119.526 120.200 0.384 0.000 2.170 76 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 76 E C 0.370 177.097 176.600 0.211 0.000 0.981 76 E CA 0.660 57.231 56.400 0.285 0.000 0.830 76 E CB 0.086 29.939 29.700 0.255 0.000 0.775 76 E HN 0.133 nan 8.360 nan 0.000 0.470 77 D N 0.335 120.870 120.400 0.224 0.000 2.563 77 D HA -0.025 4.614 4.640 -0.001 0.000 0.222 77 D C 0.467 176.823 176.300 0.093 0.000 1.145 77 D CA -0.361 53.693 54.000 0.091 0.000 1.001 77 D CB -0.158 40.785 40.800 0.239 0.000 1.049 77 D HN 0.168 nan 8.370 nan 0.000 0.515 78 Y N 1.000 121.390 120.300 0.149 0.000 2.497 78 Y HA 0.062 4.612 4.550 -0.001 0.000 0.292 78 Y C 1.807 177.705 175.900 -0.002 0.000 1.137 78 Y CA 0.387 58.563 58.100 0.127 0.000 1.285 78 Y CB -0.450 38.094 38.460 0.139 0.000 0.991 78 Y HN 0.072 nan 8.280 nan 0.000 0.556 79 R N -0.164 120.141 120.500 -0.325 0.000 2.096 79 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 79 R C 1.414 177.434 176.300 -0.465 0.000 1.127 79 R CA 2.035 57.924 56.100 -0.351 0.000 0.968 79 R CB -0.465 29.497 30.300 -0.562 0.000 0.861 79 R HN 0.573 nan 8.270 nan 0.000 0.440 80 H N -1.851 116.945 119.070 -0.456 0.000 2.476 80 H HA 0.116 4.672 4.556 -0.001 0.000 0.292 80 H C -0.207 174.692 175.328 -0.715 0.000 1.019 80 H CA 0.235 55.819 56.048 -0.773 0.000 1.330 80 H CB 0.445 29.327 29.762 -1.468 0.000 1.451 80 H HN -0.035 nan 8.280 nan 0.000 0.535 81 F N 1.214 121.153 119.950 -0.019 0.000 2.291 81 F HA 0.297 4.824 4.527 -0.001 0.000 0.368 81 F C 0.301 176.143 175.800 0.070 0.000 1.085 81 F CA -0.749 57.248 58.000 -0.004 0.000 1.165 81 F CB 1.044 40.001 39.000 -0.072 0.000 1.429 81 F HN -0.097 nan 8.300 nan 0.000 0.503 82 S N 0.905 116.718 115.700 0.189 0.000 2.565 82 S HA 0.217 4.687 4.470 -0.001 0.000 0.274 82 S C 1.113 175.803 174.600 0.149 0.000 1.309 82 S CA -0.470 57.831 58.200 0.170 0.000 1.043 82 S CB 0.968 64.234 63.200 0.109 0.000 0.939 82 S HN 0.514 nan 8.310 nan 0.000 0.504 83 S N 3.102 118.881 115.700 0.132 0.000 2.650 83 S HA 0.061 4.531 4.470 -0.001 0.000 0.219 83 S C 1.480 176.099 174.600 0.031 0.000 0.960 83 S CA -0.064 58.160 58.200 0.041 0.000 0.925 83 S CB -0.188 62.956 63.200 -0.094 0.000 0.775 83 S HN 0.846 nan 8.310 nan 0.000 0.525 84 E N 0.245 120.483 120.200 0.063 0.000 2.118 84 E HA -0.156 4.194 4.350 -0.001 0.000 0.195 84 E C 0.468 177.090 176.600 0.037 0.000 0.992 84 E CA 0.772 57.206 56.400 0.056 0.000 0.804 84 E CB 0.116 29.851 29.700 0.058 0.000 0.741 84 E HN 0.396 nan 8.360 nan 0.000 0.458 85 C N 1.332 120.648 119.300 0.026 0.000 3.003 85 C HA 0.383 4.842 4.460 -0.001 0.000 0.241 85 C C -1.935 173.046 174.990 -0.016 0.000 1.224 85 C CA -1.621 57.397 59.018 -0.000 0.000 1.560 85 C CB 0.658 28.415 27.740 0.027 0.000 1.768 85 C HN 0.269 nan 8.230 nan 0.000 0.440 86 P HA 0.096 nan 4.420 nan 0.000 0.245 86 P C 0.133 177.529 177.300 0.161 0.000 1.206 86 P CA 0.549 63.626 63.100 -0.040 0.000 0.781 86 P CB 0.169 31.758 31.700 -0.185 0.000 0.994 87 F N -0.002 119.766 119.950 -0.303 0.000 2.507 87 F HA 0.433 4.960 4.527 -0.000 0.000 0.327 87 F C 0.742 176.418 175.800 -0.205 0.000 1.068 87 F CA -1.563 56.282 58.000 -0.258 0.000 0.965 87 F CB 1.765 40.573 39.000 -0.320 0.000 1.192 87 F HN -0.354 nan 8.300 nan 0.000 0.476 88 I N 3.701 124.252 120.570 -0.031 0.000 2.441 88 I HA 0.315 4.484 4.170 -0.001 0.000 0.295 88 I C -2.131 174.025 176.117 0.065 0.000 0.994 88 I CA -2.671 58.580 61.300 -0.081 0.000 1.144 88 I CB 1.498 39.322 38.000 -0.295 0.000 1.314 88 I HN 0.245 nan 8.210 nan 0.000 0.445 89 P HA 0.235 nan 4.420 nan 0.000 0.274 89 P C 0.691 177.955 177.300 -0.060 0.000 1.256 89 P CA -0.501 62.586 63.100 -0.023 0.000 0.795 89 P CB 1.231 32.915 31.700 -0.025 0.000 1.038 90 R N 0.449 120.932 120.500 -0.029 0.000 2.119 90 R HA -0.234 4.106 4.340 -0.001 0.000 0.246 90 R C 1.819 178.087 176.300 -0.053 0.000 1.146 90 R CA 2.152 58.239 56.100 -0.021 0.000 0.962 90 R CB -0.363 29.948 30.300 0.019 0.000 0.863 90 R HN 0.418 nan 8.270 nan 0.000 0.442 91 E N 0.234 120.398 120.200 -0.060 0.000 2.070 91 E HA -0.206 4.144 4.350 -0.001 0.000 0.197 91 E C 1.867 178.373 176.600 -0.157 0.000 1.004 91 E CA 1.751 58.111 56.400 -0.066 0.000 0.805 91 E CB -0.385 29.289 29.700 -0.043 0.000 0.744 91 E HN 0.502 nan 8.360 nan 0.000 0.451 92 A N 0.712 123.329 122.820 -0.339 0.000 1.873 92 A HA -0.034 4.286 4.320 -0.001 0.000 0.215 92 A C 2.519 179.765 177.584 -0.563 0.000 1.186 92 A CA 1.778 53.264 52.037 -0.918 0.000 0.616 92 A CB -1.360 16.983 19.000 -1.096 0.000 0.823 92 A HN 0.347 nan 8.150 nan 0.000 0.442 93 G N -0.403 108.243 108.800 -0.257 0.000 2.469 93 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.219 93 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.219 93 G C 1.440 176.294 174.900 -0.077 0.000 1.150 93 G CA 1.152 46.170 45.100 -0.136 0.000 0.763 93 G HN 0.667 nan 8.290 nan 0.000 0.561 94 E N 0.301 120.469 120.200 -0.053 0.000 2.107 94 E HA 0.069 4.419 4.350 -0.001 0.000 0.191 94 E C 2.855 179.466 176.600 0.018 0.000 0.982 94 E CA 0.624 57.021 56.400 -0.005 0.000 0.809 94 E CB -0.111 29.592 29.700 0.004 0.000 0.756 94 E HN 0.431 nan 8.360 nan 0.000 0.459 95 A N 0.771 123.607 122.820 0.027 0.000 2.014 95 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 95 A C 0.802 178.432 177.584 0.076 0.000 1.163 95 A CA 0.203 52.297 52.037 0.095 0.000 0.652 95 A CB -0.411 18.726 19.000 0.229 0.000 0.808 95 A HN 0.315 nan 8.150 nan 0.000 0.449 96 Y N 2.738 122.976 120.300 -0.103 0.000 2.754 96 Y HA 0.173 4.723 4.550 -0.001 0.000 0.349 96 Y C 0.175 175.921 175.900 -0.257 0.000 1.179 96 Y CA -0.374 57.544 58.100 -0.303 0.000 1.538 96 Y CB 0.309 38.450 38.460 -0.531 0.000 1.200 96 Y HN 0.437 nan 8.280 nan 0.000 0.522 97 D N 4.486 124.646 120.400 -0.400 0.000 2.650 97 D HA 0.028 4.667 4.640 -0.001 0.000 0.265 97 D C -0.479 175.752 176.300 -0.115 0.000 1.339 97 D CA -0.369 53.545 54.000 -0.142 0.000 0.816 97 D CB -0.712 40.068 40.800 -0.033 0.000 1.091 97 D HN 0.137 nan 8.370 nan 0.000 0.483 98 F N 1.181 120.849 119.950 -0.471 0.000 2.589 98 F HA 0.266 4.793 4.527 -0.001 0.000 0.352 98 F C 1.222 176.944 175.800 -0.130 0.000 1.168 98 F CA -0.740 57.067 58.000 -0.323 0.000 1.353 98 F CB 0.385 39.070 39.000 -0.525 0.000 1.116 98 F HN -0.088 nan 8.300 nan 0.000 0.608 99 I N 4.638 125.270 120.570 0.103 0.000 2.474 99 I HA 0.236 4.405 4.170 -0.001 0.000 0.294 99 I C -1.701 174.447 176.117 0.051 0.000 1.005 99 I CA -1.701 59.588 61.300 -0.018 0.000 1.113 99 I CB 2.612 40.471 38.000 -0.235 0.000 1.289 99 I HN 0.351 nan 8.210 nan 0.000 0.436 100 P HA 0.088 nan 4.420 nan 0.000 0.268 100 P C 0.990 178.450 177.300 0.267 0.000 1.329 100 P CA 0.216 63.401 63.100 0.141 0.000 0.899 100 P CB 0.298 32.117 31.700 0.199 0.000 1.378 101 T N 0.586 115.302 114.554 0.271 0.000 2.849 101 T HA -0.108 4.241 4.350 -0.001 0.000 0.270 101 T C 1.699 176.470 174.700 0.118 0.000 1.066 101 T CA 2.191 64.412 62.100 0.202 0.000 1.130 101 T CB -0.509 68.560 68.868 0.334 0.000 0.864 101 T HN 0.330 nan 8.240 nan 0.000 0.481 102 S N -0.146 115.690 115.700 0.226 0.000 2.605 102 S HA 0.339 4.809 4.470 -0.001 0.000 0.217 102 S C 0.406 175.069 174.600 0.105 0.000 0.958 102 S CA -0.378 57.922 58.200 0.166 0.000 0.919 102 S CB -0.420 62.898 63.200 0.197 0.000 0.780 102 S HN 0.347 nan 8.310 nan 0.000 0.507 103 M N 1.750 121.436 119.600 0.144 0.000 2.528 103 M HA 0.523 5.002 4.480 -0.001 0.000 0.321 103 M C -1.024 175.407 176.300 0.220 0.000 1.153 103 M CA -0.647 54.737 55.300 0.141 0.000 0.951 103 M CB 1.592 34.253 32.600 0.102 0.000 1.705 103 M HN 0.013 nan 8.290 nan 0.000 0.451 104 D N 1.633 122.104 120.400 0.118 0.000 2.272 104 D HA 0.506 5.146 4.640 -0.001 0.000 0.247 104 D C -2.504 173.703 176.300 -0.155 0.000 0.990 104 D CA -1.250 52.769 54.000 0.032 0.000 0.931 104 D CB 1.470 42.299 40.800 0.047 0.000 1.195 104 D HN 0.155 nan 8.370 nan 0.000 0.477 105 P HA 0.103 nan 4.420 nan 0.000 0.272 105 P C -1.643 175.501 177.300 -0.261 0.000 1.223 105 P CA -0.804 62.039 63.100 -0.427 0.000 0.784 105 P CB 0.391 31.659 31.700 -0.720 0.000 0.923 106 P HA -0.100 nan 4.420 nan 0.000 0.224 106 P C 1.301 178.586 177.300 -0.024 0.000 1.157 106 P CA 1.060 64.122 63.100 -0.064 0.000 0.799 106 P CB 0.186 31.876 31.700 -0.017 0.000 0.809 107 E N 0.764 120.975 120.200 0.018 0.000 2.086 107 E HA -0.282 4.067 4.350 -0.001 0.000 0.200 107 E C 2.327 179.039 176.600 0.188 0.000 1.012 107 E CA 1.423 57.886 56.400 0.106 0.000 0.812 107 E CB -0.373 29.395 29.700 0.113 0.000 0.743 107 E HN 0.191 nan 8.360 nan 0.000 0.453 108 Q N 0.430 120.298 119.800 0.113 0.000 2.096 108 Q HA -0.260 4.079 4.340 -0.001 0.000 0.204 108 Q C 2.197 178.266 176.000 0.116 0.000 0.982 108 Q CA 1.685 57.574 55.803 0.144 0.000 0.850 108 Q CB -0.076 28.664 28.738 0.002 0.000 0.901 108 Q HN 0.285 nan 8.270 nan 0.000 0.422 109 R N 0.032 120.534 120.500 0.003 0.000 2.136 109 R HA -0.263 4.076 4.340 -0.001 0.000 0.242 109 R C 2.433 178.713 176.300 -0.035 0.000 1.131 109 R CA 2.237 58.318 56.100 -0.033 0.000 0.937 109 R CB -0.434 29.833 30.300 -0.055 0.000 0.863 109 R HN 0.283 nan 8.270 nan 0.000 0.435 110 Q N -0.111 119.636 119.800 -0.089 0.000 2.124 110 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 110 Q C 1.760 177.611 176.000 -0.248 0.000 0.977 110 Q CA 1.732 57.402 55.803 -0.221 0.000 0.850 110 Q CB -0.118 28.391 28.738 -0.383 0.000 0.901 110 Q HN 0.321 nan 8.270 nan 0.000 0.429 111 F N -0.616 119.329 119.950 -0.009 0.000 2.206 111 F HA 0.006 4.533 4.527 -0.001 0.000 0.298 111 F C 2.409 178.211 175.800 0.003 0.000 1.090 111 F CA 1.054 59.057 58.000 0.004 0.000 1.323 111 F CB -0.204 38.808 39.000 0.020 0.000 1.028 111 F HN 0.051 nan 8.300 nan 0.000 0.492 112 R N 0.887 121.482 120.500 0.158 0.000 2.092 112 R HA -0.128 4.211 4.340 -0.001 0.000 0.231 112 R C 2.294 178.617 176.300 0.037 0.000 1.119 112 R CA 1.159 57.307 56.100 0.080 0.000 0.970 112 R CB -0.419 29.894 30.300 0.020 0.000 0.864 112 R HN 0.263 nan 8.270 nan 0.000 0.440 113 A N 1.233 124.057 122.820 0.007 0.000 1.902 113 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 113 A C 2.020 179.602 177.584 -0.003 0.000 1.181 113 A CA 1.239 53.268 52.037 -0.013 0.000 0.623 113 A CB -0.566 18.409 19.000 -0.042 0.000 0.818 113 A HN 0.381 nan 8.150 nan 0.000 0.443 114 L N -0.360 120.865 121.223 0.003 0.000 2.093 114 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 114 L C 2.646 179.538 176.870 0.037 0.000 1.085 114 L CA 2.069 56.918 54.840 0.015 0.000 0.755 114 L CB -0.776 41.298 42.059 0.025 0.000 0.904 114 L HN 0.338 nan 8.230 nan 0.000 0.435 115 A N -0.587 122.269 122.820 0.058 0.000 1.930 115 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 115 A C 2.100 179.708 177.584 0.039 0.000 1.175 115 A CA 1.670 53.742 52.037 0.058 0.000 0.627 115 A CB -0.737 18.306 19.000 0.072 0.000 0.815 115 A HN 0.585 nan 8.150 nan 0.000 0.443 116 N N -0.123 118.595 118.700 0.030 0.000 2.149 116 N HA -0.179 4.560 4.740 -0.001 0.000 0.188 116 N C 1.890 177.411 175.510 0.019 0.000 1.019 116 N CA 1.472 54.537 53.050 0.024 0.000 0.857 116 N CB -0.391 38.106 38.487 0.015 0.000 0.997 116 N HN 0.654 nan 8.380 nan 0.000 0.426 117 Q N 0.149 119.956 119.800 0.012 0.000 2.096 117 Q HA -0.117 4.223 4.340 -0.001 0.000 0.204 117 Q C 2.033 178.037 176.000 0.006 0.000 0.982 117 Q CA 1.762 57.568 55.803 0.004 0.000 0.850 117 Q CB 0.038 28.776 28.738 -0.001 0.000 0.901 117 Q HN 0.408 nan 8.270 nan 0.000 0.422 118 V N -2.528 117.394 119.914 0.014 0.000 3.235 118 V HA 0.021 4.141 4.120 -0.001 0.000 0.259 118 V C 1.558 177.663 176.094 0.020 0.000 1.133 118 V CA 0.874 63.181 62.300 0.011 0.000 1.128 118 V CB 0.353 32.185 31.823 0.015 0.000 0.757 118 V HN 0.279 nan 8.190 nan 0.000 0.469 119 V N -2.728 117.205 119.914 0.032 0.000 3.382 119 V HA 0.677 4.797 4.120 -0.001 0.000 0.296 119 V C 1.130 177.250 176.094 0.042 0.000 1.529 119 V CA 0.210 62.534 62.300 0.040 0.000 1.048 119 V CB -0.619 31.236 31.823 0.055 0.000 0.878 119 V HN 0.444 nan 8.190 nan 0.000 0.442 120 G N -0.002 108.823 108.800 0.041 0.000 2.683 120 G HA2 0.265 4.224 3.960 -0.001 0.000 0.260 120 G HA3 0.265 4.224 3.960 -0.001 0.000 0.260 120 G C 0.566 175.495 174.900 0.048 0.000 1.238 120 G CA 0.303 45.441 45.100 0.064 0.000 0.934 120 G HN 0.212 nan 8.290 nan 0.000 0.534 121 M N 0.743 120.351 119.600 0.013 0.000 2.108 121 M HA -0.054 4.426 4.480 -0.001 0.000 0.257 121 M C -0.230 176.039 176.300 -0.051 0.000 1.071 121 M CA 1.922 57.170 55.300 -0.087 0.000 1.093 121 M CB -1.026 31.402 32.600 -0.285 0.000 1.345 121 M HN 0.331 nan 8.290 nan 0.000 0.403 122 P HA -0.122 nan 4.420 nan 0.000 0.216 122 P C 1.710 179.000 177.300 -0.017 0.000 1.150 122 P CA 1.286 64.368 63.100 -0.030 0.000 0.837 122 P CB -0.109 31.575 31.700 -0.026 0.000 0.786 123 V N -0.721 119.188 119.914 -0.008 0.000 2.379 123 V HA -0.168 3.951 4.120 -0.001 0.000 0.245 123 V C 2.418 178.512 176.094 -0.001 0.000 1.044 123 V CA 1.551 63.847 62.300 -0.005 0.000 1.036 123 V CB -1.101 30.721 31.823 -0.001 0.000 0.664 123 V HN -0.037 nan 8.190 nan 0.000 0.453 124 V N 0.168 120.087 119.914 0.008 0.000 2.295 124 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 124 V C 2.312 178.413 176.094 0.012 0.000 1.049 124 V CA 2.215 64.525 62.300 0.017 0.000 1.024 124 V CB -0.734 31.110 31.823 0.036 0.000 0.648 124 V HN 0.514 nan 8.190 nan 0.000 0.447 125 D N -0.051 120.349 120.400 -0.000 0.000 2.123 125 D HA -0.189 4.451 4.640 -0.001 0.000 0.196 125 D C 2.194 178.496 176.300 0.003 0.000 0.992 125 D CA 1.423 55.423 54.000 -0.001 0.000 0.833 125 D CB -0.242 40.550 40.800 -0.014 0.000 0.954 125 D HN 0.388 nan 8.370 nan 0.000 0.455 126 K N -0.206 120.193 120.400 -0.002 0.000 2.283 126 K HA -0.085 4.234 4.320 -0.001 0.000 0.202 126 K C 1.557 178.158 176.600 0.001 0.000 1.048 126 K CA 0.425 56.710 56.287 -0.003 0.000 0.948 126 K CB 0.057 32.552 32.500 -0.008 0.000 0.742 126 K HN 0.015 nan 8.250 nan 0.000 0.458 127 L N 0.889 122.114 121.223 0.003 0.000 2.585 127 L HA 0.087 4.426 4.340 -0.001 0.000 0.226 127 L C 1.743 178.626 176.870 0.022 0.000 1.113 127 L CA 0.865 55.708 54.840 0.004 0.000 0.876 127 L CB 0.067 42.123 42.059 -0.005 0.000 1.072 127 L HN 0.151 nan 8.230 nan 0.000 0.468 128 E N -0.110 120.107 120.200 0.030 0.000 2.114 128 E HA -0.291 4.059 4.350 -0.001 0.000 0.199 128 E C 1.687 178.322 176.600 0.059 0.000 1.008 128 E CA 1.933 58.363 56.400 0.050 0.000 0.810 128 E CB 0.000 29.727 29.700 0.045 0.000 0.739 128 E HN 0.644 nan 8.360 nan 0.000 0.456 129 N N -0.550 118.175 118.700 0.043 0.000 2.149 129 N HA -0.153 4.586 4.740 -0.001 0.000 0.188 129 N C 1.821 177.363 175.510 0.054 0.000 1.019 129 N CA 0.731 53.808 53.050 0.044 0.000 0.857 129 N CB 0.058 38.563 38.487 0.029 0.000 0.997 129 N HN 0.043 nan 8.380 nan 0.000 0.426 130 R N 0.968 121.496 120.500 0.047 0.000 2.090 130 R HA 0.032 4.372 4.340 -0.001 0.000 0.228 130 R C 2.106 178.462 176.300 0.093 0.000 1.110 130 R CA 0.631 56.761 56.100 0.051 0.000 0.973 130 R CB -0.901 29.412 30.300 0.022 0.000 0.869 130 R HN 0.376 nan 8.270 nan 0.000 0.440 131 I N 0.954 121.585 120.570 0.103 0.000 2.179 131 I HA -0.318 3.852 4.170 -0.001 0.000 0.242 131 I C 2.636 178.928 176.117 0.292 0.000 1.088 131 I CA 1.433 62.849 61.300 0.193 0.000 1.357 131 I CB -0.309 37.782 38.000 0.153 0.000 1.051 131 I HN 0.114 nan 8.210 nan 0.000 0.409 132 Q N 1.324 121.234 119.800 0.183 0.000 2.061 132 Q HA -0.282 4.058 4.340 -0.001 0.000 0.204 132 Q C 2.046 178.121 176.000 0.124 0.000 0.984 132 Q CA 2.094 57.984 55.803 0.145 0.000 0.846 132 Q CB -0.284 28.510 28.738 0.094 0.000 0.902 132 Q HN 0.453 nan 8.270 nan 0.000 0.421 133 E N -0.753 119.511 120.200 0.107 0.000 2.038 133 E HA -0.230 4.120 4.350 -0.001 0.000 0.195 133 E C 1.870 178.532 176.600 0.104 0.000 1.000 133 E CA 1.463 57.913 56.400 0.084 0.000 0.803 133 E CB -0.252 29.488 29.700 0.066 0.000 0.750 133 E HN 0.408 nan 8.360 nan 0.000 0.448 134 L N 0.839 122.156 121.223 0.157 0.000 2.056 134 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 134 L C 2.290 179.267 176.870 0.179 0.000 1.078 134 L CA 2.152 57.104 54.840 0.187 0.000 0.749 134 L CB -0.839 41.371 42.059 0.252 0.000 0.901 134 L HN 0.186 nan 8.230 nan 0.000 0.433 135 A N -1.188 121.736 122.820 0.174 0.000 1.883 135 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 135 A C 2.407 180.014 177.584 0.038 0.000 1.186 135 A CA 2.032 54.035 52.037 -0.056 0.000 0.624 135 A CB -1.518 17.391 19.000 -0.151 0.000 0.822 135 A HN 0.622 nan 8.150 nan 0.000 0.444 136 C N -0.017 119.304 119.300 0.035 0.000 2.429 136 C HA -0.082 4.378 4.460 -0.001 0.000 0.277 136 C C 3.443 178.435 174.990 0.002 0.000 1.262 136 C CA 1.392 60.411 59.018 0.002 0.000 1.733 136 C CB -1.269 26.476 27.740 0.009 0.000 2.010 136 C HN 0.808 nan 8.230 nan 0.000 0.483 137 S N 1.120 116.840 115.700 0.033 0.000 2.355 137 S HA -0.082 4.388 4.470 -0.001 0.000 0.222 137 S C 1.747 176.369 174.600 0.036 0.000 1.031 137 S CA 1.274 59.492 58.200 0.030 0.000 0.993 137 S CB -0.789 62.436 63.200 0.042 0.000 0.859 137 S HN 0.609 nan 8.310 nan 0.000 0.453 138 L N 0.898 122.166 121.223 0.074 0.000 2.017 138 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 138 L C 2.688 179.608 176.870 0.084 0.000 1.073 138 L CA 1.463 56.372 54.840 0.114 0.000 0.745 138 L CB -0.618 41.552 42.059 0.186 0.000 0.894 138 L HN 0.317 nan 8.230 nan 0.000 0.432 139 I N -0.386 120.197 120.570 0.020 0.000 2.226 139 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 139 I C 2.591 178.563 176.117 -0.241 0.000 1.100 139 I CA 1.074 62.237 61.300 -0.228 0.000 1.374 139 I CB -0.224 37.566 38.000 -0.349 0.000 1.057 139 I HN 0.269 nan 8.210 nan 0.000 0.413 140 E N 1.386 121.505 120.200 -0.134 0.000 2.106 140 E HA -0.197 4.153 4.350 -0.001 0.000 0.192 140 E C 2.200 178.769 176.600 -0.051 0.000 0.984 140 E CA 1.864 58.203 56.400 -0.103 0.000 0.806 140 E CB -0.185 29.479 29.700 -0.061 0.000 0.750 140 E HN 0.494 nan 8.360 nan 0.000 0.458 141 S N -0.286 115.405 115.700 -0.016 0.000 2.399 141 S HA -0.106 4.363 4.470 -0.001 0.000 0.231 141 S C 2.023 176.649 174.600 0.044 0.000 1.022 141 S CA 1.133 59.344 58.200 0.018 0.000 0.983 141 S CB -0.430 62.790 63.200 0.034 0.000 0.803 141 S HN 0.330 nan 8.310 nan 0.000 0.480 142 L N 0.610 121.859 121.223 0.043 0.000 2.202 142 L HA 0.193 4.533 4.340 -0.001 0.000 0.205 142 L C 2.958 179.978 176.870 0.250 0.000 1.083 142 L CA 0.621 55.550 54.840 0.147 0.000 0.790 142 L CB -0.505 41.654 42.059 0.166 0.000 0.942 142 L HN 0.272 nan 8.230 nan 0.000 0.452 143 R N 1.081 121.602 120.500 0.035 0.000 2.159 143 R HA -0.214 4.126 4.340 -0.001 0.000 0.249 143 R C -0.518 175.968 176.300 0.310 0.000 1.136 143 R CA 2.526 58.658 56.100 0.054 0.000 0.951 143 R CB -1.335 28.882 30.300 -0.138 0.000 0.876 143 R HN 0.246 nan 8.270 nan 0.000 0.440 144 P HA -0.122 nan 4.420 nan 0.000 0.226 144 P C 0.429 177.780 177.300 0.085 0.000 1.153 144 P CA 1.344 64.514 63.100 0.116 0.000 0.777 144 P CB -0.051 31.682 31.700 0.056 0.000 0.794 145 Q N -0.549 119.303 119.800 0.088 0.000 2.230 145 Q HA 0.069 4.409 4.340 -0.001 0.000 0.202 145 Q C 1.648 177.498 176.000 -0.249 0.000 0.963 145 Q CA 0.986 56.764 55.803 -0.042 0.000 0.866 145 Q CB -0.549 28.177 28.738 -0.020 0.000 0.931 145 Q HN 0.280 nan 8.270 nan 0.000 0.452 146 G N 1.549 110.069 108.800 -0.466 0.000 2.155 146 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.257 146 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.257 146 G C -0.085 173.836 174.900 -1.632 0.000 0.983 146 G CA 0.744 45.099 45.100 -1.242 0.000 0.676 146 G HN 0.476 nan 8.290 nan 0.000 0.528 147 Q N -1.940 116.979 119.800 -1.468 0.000 2.721 147 Q HA 0.614 4.953 4.340 -0.001 0.000 0.282 147 Q C -0.442 175.367 176.000 -0.319 0.000 0.932 147 Q CA -0.733 54.538 55.803 -0.887 0.000 0.816 147 Q CB 1.506 30.001 28.738 -0.405 0.000 1.506 147 Q HN 1.597 nan 8.270 nan 0.000 0.399 148 C N -0.708 118.600 119.300 0.013 0.000 3.275 148 C HA 0.605 5.065 4.460 -0.001 0.000 0.345 148 C C -1.730 173.392 174.990 0.219 0.000 1.257 148 C CA -0.789 58.358 59.018 0.215 0.000 1.203 148 C CB 0.782 28.808 27.740 0.477 0.000 1.492 148 C HN 1.035 nan 8.230 nan 0.000 0.484 149 N N 1.161 119.968 118.700 0.178 0.000 2.678 149 N HA 0.381 5.121 4.740 -0.001 0.000 0.231 149 N C 0.337 175.958 175.510 0.185 0.000 1.038 149 N CA -0.540 52.602 53.050 0.154 0.000 0.932 149 N CB 0.570 39.112 38.487 0.091 0.000 1.176 149 N HN 0.623 nan 8.380 nan 0.000 0.511 150 F N 2.108 122.118 119.950 0.100 0.000 2.087 150 F HA -0.333 4.193 4.527 -0.001 0.000 0.299 150 F C 2.672 178.515 175.800 0.072 0.000 1.100 150 F CA 2.066 60.114 58.000 0.080 0.000 1.226 150 F CB -0.340 38.637 39.000 -0.038 0.000 0.983 150 F HN 0.438 nan 8.300 nan 0.000 0.479 151 T N -2.547 112.061 114.554 0.090 0.000 2.746 151 T HA -0.271 4.079 4.350 -0.001 0.000 0.267 151 T C 1.889 176.550 174.700 -0.066 0.000 1.039 151 T CA 1.701 63.796 62.100 -0.008 0.000 1.142 151 T CB -0.655 68.230 68.868 0.028 0.000 0.866 151 T HN 0.574 nan 8.240 nan 0.000 0.444 152 E N 0.538 120.725 120.200 -0.022 0.000 2.190 152 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 152 E C 1.286 177.872 176.600 -0.024 0.000 0.978 152 E CA 0.776 57.166 56.400 -0.016 0.000 0.839 152 E CB 0.130 29.839 29.700 0.015 0.000 0.787 152 E HN 0.473 nan 8.360 nan 0.000 0.473 153 D N -1.064 119.328 120.400 -0.015 0.000 2.333 153 D HA -0.032 4.608 4.640 -0.001 0.000 0.208 153 D C 0.645 176.958 176.300 0.022 0.000 0.984 153 D CA 0.685 54.703 54.000 0.030 0.000 0.873 153 D CB 0.409 41.278 40.800 0.116 0.000 0.935 153 D HN 0.271 nan 8.370 nan 0.000 0.521 154 Y N -0.139 119.965 120.300 -0.328 0.000 3.147 154 Y HA 0.321 4.871 4.550 -0.001 0.000 0.219 154 Y C 2.010 177.686 175.900 -0.374 0.000 1.021 154 Y CA 0.597 58.471 58.100 -0.376 0.000 1.440 154 Y CB -0.237 37.885 38.460 -0.562 0.000 1.472 154 Y HN -0.150 nan 8.280 nan 0.000 0.408 155 A N 1.010 123.493 122.820 -0.561 0.000 1.927 155 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 155 A C 1.801 179.320 177.584 -0.108 0.000 1.185 155 A CA 2.638 54.541 52.037 -0.224 0.000 0.639 155 A CB -0.668 18.252 19.000 -0.133 0.000 0.820 155 A HN 0.707 nan 8.150 nan 0.000 0.451 156 E N -1.014 119.112 120.200 -0.125 0.000 2.030 156 E HA -0.066 4.284 4.350 -0.001 0.000 0.189 156 E C -0.518 176.034 176.600 -0.080 0.000 0.974 156 E CA 0.637 56.992 56.400 -0.075 0.000 0.807 156 E CB -0.583 29.086 29.700 -0.051 0.000 0.771 156 E HN 0.517 nan 8.360 nan 0.000 0.451 157 P HA -0.205 nan 4.420 nan 0.000 0.216 157 P C 1.385 178.641 177.300 -0.072 0.000 1.150 157 P CA 1.171 64.230 63.100 -0.068 0.000 0.837 157 P CB -0.061 31.607 31.700 -0.054 0.000 0.786 158 F N 2.630 122.357 119.950 -0.370 0.000 2.010 158 F HA -0.065 4.462 4.527 -0.001 0.000 0.296 158 F C -0.850 174.844 175.800 -0.178 0.000 1.146 158 F CA 1.624 59.386 58.000 -0.397 0.000 1.181 158 F CB -2.039 36.438 39.000 -0.871 0.000 0.965 158 F HN -0.028 nan 8.300 nan 0.000 0.480 159 P HA -0.097 nan 4.420 nan 0.000 0.217 159 P C 2.119 179.316 177.300 -0.171 0.000 1.151 159 P CA 1.887 64.753 63.100 -0.391 0.000 0.828 159 P CB -0.081 31.516 31.700 -0.171 0.000 0.788 160 I N -0.756 119.759 120.570 -0.092 0.000 2.202 160 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 160 I C 2.465 178.606 176.117 0.039 0.000 1.091 160 I CA 1.461 62.762 61.300 0.003 0.000 1.368 160 I CB -0.434 37.561 38.000 -0.009 0.000 1.058 160 I HN -0.143 nan 8.210 nan 0.000 0.410 161 R N 0.326 120.812 120.500 -0.022 0.000 2.115 161 R HA -0.102 4.238 4.340 -0.001 0.000 0.230 161 R C 2.243 178.521 176.300 -0.037 0.000 1.111 161 R CA 1.021 57.113 56.100 -0.014 0.000 0.976 161 R CB -0.127 30.166 30.300 -0.012 0.000 0.870 161 R HN 0.272 nan 8.270 nan 0.000 0.445 162 I N 0.128 120.643 120.570 -0.092 0.000 2.252 162 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 162 I C 2.142 178.225 176.117 -0.057 0.000 1.102 162 I CA 1.247 62.483 61.300 -0.107 0.000 1.385 162 I CB -0.895 36.971 38.000 -0.223 0.000 1.064 162 I HN 0.067 nan 8.210 nan 0.000 0.414 163 F N 1.524 121.403 119.950 -0.119 0.000 2.134 163 F HA -0.233 4.294 4.527 -0.001 0.000 0.299 163 F C 2.514 178.285 175.800 -0.049 0.000 1.097 163 F CA 1.572 59.524 58.000 -0.080 0.000 1.264 163 F CB -0.166 38.787 39.000 -0.078 0.000 1.001 163 F HN -0.077 nan 8.300 nan 0.000 0.479 164 M N -0.166 119.372 119.600 -0.103 0.000 2.159 164 M HA -0.172 4.308 4.480 -0.001 0.000 0.263 164 M C 2.247 178.431 176.300 -0.194 0.000 1.063 164 M CA 1.049 56.258 55.300 -0.153 0.000 1.110 164 M CB -1.337 31.269 32.600 0.010 0.000 1.374 164 M HN 0.219 nan 8.290 nan 0.000 0.411 165 L N -0.184 120.952 121.223 -0.144 0.000 2.046 165 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 165 L C 2.520 179.291 176.870 -0.165 0.000 1.077 165 L CA 1.386 56.156 54.840 -0.116 0.000 0.747 165 L CB -1.451 40.562 42.059 -0.076 0.000 0.896 165 L HN 0.294 nan 8.230 nan 0.000 0.432 166 L N 0.490 121.571 121.223 -0.236 0.000 2.017 166 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 166 L C 2.353 179.040 176.870 -0.305 0.000 1.073 166 L CA 2.139 56.829 54.840 -0.251 0.000 0.745 166 L CB -0.706 41.193 42.059 -0.268 0.000 0.894 166 L HN 0.158 nan 8.230 nan 0.000 0.432 167 A N -1.018 121.502 122.820 -0.500 0.000 2.238 167 A HA 0.367 4.687 4.320 -0.001 0.000 0.208 167 A C 1.547 179.010 177.584 -0.202 0.000 1.177 167 A CA 0.537 52.333 52.037 -0.402 0.000 0.804 167 A CB -1.110 17.509 19.000 -0.635 0.000 0.823 167 A HN 0.877 nan 8.150 nan 0.000 0.482 168 G N -0.510 108.189 108.800 -0.168 0.000 2.314 168 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.292 168 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.292 168 G C -0.171 174.699 174.900 -0.050 0.000 1.059 168 G CA 0.602 45.648 45.100 -0.090 0.000 0.982 168 G HN 0.484 nan 8.290 nan 0.000 0.505 169 L N -0.489 120.709 121.223 -0.041 0.000 2.342 169 L HA 0.511 4.850 4.340 -0.001 0.000 0.271 169 L C -2.045 174.851 176.870 0.044 0.000 1.008 169 L CA -2.553 52.310 54.840 0.039 0.000 0.818 169 L CB 2.150 44.275 42.059 0.110 0.000 1.296 169 L HN -0.107 nan 8.230 nan 0.000 0.427 170 P HA 0.085 nan 4.420 nan 0.000 0.271 170 P C 0.062 177.401 177.300 0.065 0.000 1.220 170 P CA -0.101 63.035 63.100 0.059 0.000 0.768 170 P CB 0.640 32.380 31.700 0.066 0.000 0.848 171 E N 1.742 121.967 120.200 0.042 0.000 2.267 171 E HA -0.249 4.101 4.350 -0.001 0.000 0.197 171 E C 1.513 178.140 176.600 0.046 0.000 0.998 171 E CA 0.802 57.226 56.400 0.040 0.000 0.830 171 E CB 0.026 29.742 29.700 0.026 0.000 0.751 171 E HN 0.627 nan 8.360 nan 0.000 0.491 172 E N 0.845 121.074 120.200 0.048 0.000 2.265 172 E HA -0.208 4.142 4.350 -0.001 0.000 0.196 172 E C 0.652 177.291 176.600 0.065 0.000 0.996 172 E CA 1.115 57.544 56.400 0.048 0.000 0.832 172 E CB 0.183 29.907 29.700 0.041 0.000 0.756 172 E HN 0.176 nan 8.360 nan 0.000 0.491 173 D N -0.084 120.370 120.400 0.090 0.000 2.340 173 D HA 0.032 4.672 4.640 -0.001 0.000 0.220 173 D C 1.663 178.004 176.300 0.069 0.000 1.039 173 D CA 0.093 54.161 54.000 0.113 0.000 0.866 173 D CB 0.070 40.989 40.800 0.199 0.000 0.913 173 D HN 0.315 nan 8.370 nan 0.000 0.523 174 I N 1.490 122.092 120.570 0.054 0.000 2.091 174 I HA -0.230 3.940 4.170 -0.001 0.000 0.239 174 I C -0.533 175.602 176.117 0.030 0.000 1.061 174 I CA 1.381 62.700 61.300 0.032 0.000 1.317 174 I CB -1.385 36.633 38.000 0.031 0.000 1.031 174 I HN -0.005 nan 8.210 nan 0.000 0.401 175 P HA -0.245 nan 4.420 nan 0.000 0.216 175 P C 1.659 179.009 177.300 0.084 0.000 1.157 175 P CA 1.695 64.829 63.100 0.057 0.000 0.880 175 P CB -0.305 31.426 31.700 0.051 0.000 0.791 176 H N -0.191 118.876 119.070 -0.005 0.000 2.321 176 H HA -0.084 4.472 4.556 -0.001 0.000 0.300 176 H C 1.845 177.167 175.328 -0.010 0.000 1.087 176 H CA 1.413 57.459 56.048 -0.004 0.000 1.319 176 H CB -0.564 29.183 29.762 -0.024 0.000 1.379 176 H HN 0.036 nan 8.280 nan 0.000 0.501 177 L N 0.502 121.607 121.223 -0.197 0.000 2.056 177 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 177 L C 2.805 179.565 176.870 -0.183 0.000 1.078 177 L CA 1.303 55.965 54.840 -0.297 0.000 0.749 177 L CB -0.375 41.526 42.059 -0.263 0.000 0.901 177 L HN 0.165 nan 8.230 nan 0.000 0.433 178 K N 0.179 120.527 120.400 -0.088 0.000 2.057 178 K HA -0.258 4.061 4.320 -0.001 0.000 0.207 178 K C 2.132 178.708 176.600 -0.041 0.000 1.049 178 K CA 1.617 57.871 56.287 -0.056 0.000 0.931 178 K CB -0.664 31.827 32.500 -0.015 0.000 0.714 178 K HN 0.240 nan 8.250 nan 0.000 0.440 179 Y N 0.760 120.990 120.300 -0.118 0.000 2.145 179 Y HA -0.158 4.392 4.550 -0.001 0.000 0.286 179 Y C 1.631 177.455 175.900 -0.127 0.000 1.145 179 Y CA 1.942 59.982 58.100 -0.100 0.000 1.148 179 Y CB -0.242 38.164 38.460 -0.090 0.000 0.981 179 Y HN 0.031 nan 8.280 nan 0.000 0.507 180 L N -0.281 120.807 121.223 -0.225 0.000 2.017 180 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 180 L C 2.678 179.380 176.870 -0.279 0.000 1.073 180 L CA 2.004 56.658 54.840 -0.309 0.000 0.745 180 L CB -1.266 40.625 42.059 -0.279 0.000 0.894 180 L HN 0.411 nan 8.230 nan 0.000 0.432 181 T N -3.643 110.787 114.554 -0.206 0.000 2.788 181 T HA -0.197 4.152 4.350 -0.001 0.000 0.268 181 T C 1.418 176.057 174.700 -0.102 0.000 1.044 181 T CA 1.528 63.548 62.100 -0.133 0.000 1.139 181 T CB -0.436 68.363 68.868 -0.115 0.000 0.867 181 T HN 0.197 nan 8.240 nan 0.000 0.454 182 D N 1.024 121.338 120.400 -0.143 0.000 2.264 182 D HA -0.027 4.613 4.640 -0.001 0.000 0.208 182 D C 2.307 178.531 176.300 -0.127 0.000 0.966 182 D CA 0.577 54.513 54.000 -0.106 0.000 0.864 182 D CB -0.250 40.484 40.800 -0.111 0.000 0.933 182 D HN 0.377 nan 8.370 nan 0.000 0.499 183 Q N -0.606 119.045 119.800 -0.248 0.000 2.378 183 Q HA 0.108 4.448 4.340 -0.001 0.000 0.205 183 Q C 1.888 177.847 176.000 -0.070 0.000 0.954 183 Q CA 0.436 56.105 55.803 -0.222 0.000 0.901 183 Q CB 0.023 28.542 28.738 -0.366 0.000 0.981 183 Q HN 0.440 nan 8.270 nan 0.000 0.483 184 M N -0.532 119.043 119.600 -0.041 0.000 2.501 184 M HA -0.031 4.449 4.480 -0.001 0.000 0.261 184 M C 1.782 178.372 176.300 0.483 0.000 1.129 184 M CA 1.378 56.770 55.300 0.154 0.000 1.126 184 M CB 0.194 32.788 32.600 -0.010 0.000 1.359 184 M HN 0.176 nan 8.290 nan 0.000 0.471 185 T N -2.054 112.664 114.554 0.273 0.000 3.042 185 T HA 0.177 4.527 4.350 -0.001 0.000 0.245 185 T C 1.079 175.929 174.700 0.249 0.000 1.029 185 T CA -0.046 62.196 62.100 0.237 0.000 1.120 185 T CB 0.156 69.113 68.868 0.149 0.000 0.917 185 T HN 0.246 nan 8.240 nan 0.000 0.467 186 R N 1.857 122.467 120.500 0.184 0.000 2.653 186 R HA 0.340 4.680 4.340 -0.001 0.000 0.269 186 R C -3.112 173.239 176.300 0.085 0.000 1.603 186 R CA -1.625 54.591 56.100 0.193 0.000 1.671 186 R CB 1.075 31.460 30.300 0.142 0.000 1.300 186 R HN 0.286 nan 8.270 nan 0.000 0.668 187 P HA -0.092 nan 4.420 nan 0.000 0.261 187 P C 0.013 177.295 177.300 -0.031 0.000 1.173 187 P CA 0.459 63.539 63.100 -0.034 0.000 0.760 187 P CB 0.604 32.261 31.700 -0.072 0.000 0.783 188 D N 1.894 122.278 120.400 -0.027 0.000 2.349 188 D HA 0.100 4.740 4.640 -0.001 0.000 0.214 188 D C 1.374 177.677 176.300 0.005 0.000 1.063 188 D CA 0.377 54.380 54.000 0.005 0.000 0.847 188 D CB -0.440 40.378 40.800 0.031 0.000 0.933 188 D HN 0.540 nan 8.370 nan 0.000 0.513 189 G N 0.304 109.097 108.800 -0.012 0.000 2.195 189 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.246 189 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.246 189 G C 1.175 176.086 174.900 0.017 0.000 0.984 189 G CA 0.681 45.777 45.100 -0.007 0.000 0.633 189 G HN 0.681 nan 8.290 nan 0.000 0.525 190 S N -1.014 114.710 115.700 0.041 0.000 2.527 190 S HA 0.599 5.069 4.470 -0.001 0.000 0.222 190 S C 0.851 175.498 174.600 0.078 0.000 0.985 190 S CA 0.833 59.077 58.200 0.073 0.000 0.921 190 S CB 0.255 63.533 63.200 0.129 0.000 0.772 190 S HN 0.513 nan 8.310 nan 0.000 0.529 191 M N 2.328 121.956 119.600 0.047 0.000 2.433 191 M HA 0.301 4.780 4.480 -0.001 0.000 0.290 191 M C -0.832 175.476 176.300 0.014 0.000 1.173 191 M CA -0.476 54.845 55.300 0.035 0.000 0.905 191 M CB 2.623 35.238 32.600 0.024 0.000 1.692 191 M HN 0.280 nan 8.290 nan 0.000 0.462 192 T N -0.727 113.841 114.554 0.024 0.000 2.913 192 T HA 0.196 4.546 4.350 -0.001 0.000 0.297 192 T C 0.814 175.548 174.700 0.057 0.000 1.029 192 T CA -0.403 61.726 62.100 0.048 0.000 1.104 192 T CB 0.753 69.651 68.868 0.049 0.000 0.964 192 T HN 0.564 nan 8.240 nan 0.000 0.532 193 F N 2.375 122.301 119.950 -0.040 0.000 2.065 193 F HA -0.055 4.471 4.527 -0.001 0.000 0.298 193 F C 2.574 178.337 175.800 -0.063 0.000 1.112 193 F CA 2.170 60.145 58.000 -0.042 0.000 1.212 193 F CB -0.899 38.090 39.000 -0.018 0.000 0.975 193 F HN 0.769 nan 8.300 nan 0.000 0.476 194 A N -0.393 122.510 122.820 0.138 0.000 1.972 194 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 194 A C 2.093 179.628 177.584 -0.082 0.000 1.169 194 A CA 1.853 53.903 52.037 0.021 0.000 0.635 194 A CB -0.828 18.226 19.000 0.090 0.000 0.810 194 A HN 0.582 nan 8.150 nan 0.000 0.446 195 E N -0.448 119.721 120.200 -0.051 0.000 2.107 195 E HA -0.038 4.311 4.350 -0.001 0.000 0.191 195 E C 2.289 178.832 176.600 -0.096 0.000 0.982 195 E CA 0.782 57.156 56.400 -0.043 0.000 0.809 195 E CB -0.217 29.481 29.700 -0.002 0.000 0.756 195 E HN 0.626 nan 8.360 nan 0.000 0.459 196 A N 1.581 124.295 122.820 -0.176 0.000 1.898 196 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 196 A C 2.040 179.439 177.584 -0.308 0.000 1.181 196 A CA 1.410 53.308 52.037 -0.231 0.000 0.620 196 A CB -0.301 18.511 19.000 -0.313 0.000 0.819 196 A HN 0.040 nan 8.150 nan 0.000 0.442 197 K N -0.523 119.609 120.400 -0.447 0.000 2.026 197 K HA -0.213 4.106 4.320 -0.001 0.000 0.208 197 K C 2.010 178.340 176.600 -0.450 0.000 1.048 197 K CA 1.764 57.718 56.287 -0.555 0.000 0.929 197 K CB -0.140 31.952 32.500 -0.679 0.000 0.713 197 K HN 0.351 nan 8.250 nan 0.000 0.439 198 E N 0.381 120.453 120.200 -0.214 0.000 2.110 198 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 198 E C 1.602 178.226 176.600 0.039 0.000 0.988 198 E CA 1.373 57.766 56.400 -0.012 0.000 0.804 198 E CB -0.175 29.548 29.700 0.039 0.000 0.745 198 E HN 0.419 nan 8.360 nan 0.000 0.458 199 A N -0.032 122.784 122.820 -0.007 0.000 1.933 199 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 199 A C 2.122 179.760 177.584 0.090 0.000 1.175 199 A CA 1.266 53.342 52.037 0.064 0.000 0.628 199 A CB -0.624 18.400 19.000 0.039 0.000 0.814 199 A HN 0.328 nan 8.150 nan 0.000 0.444 200 L N -1.685 119.520 121.223 -0.030 0.000 2.056 200 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 200 L C 2.349 179.341 176.870 0.203 0.000 1.078 200 L CA 1.661 56.500 54.840 -0.003 0.000 0.749 200 L CB -0.693 41.278 42.059 -0.146 0.000 0.901 200 L HN 0.485 nan 8.230 nan 0.000 0.433 201 Y N -0.345 120.020 120.300 0.108 0.000 2.242 201 Y HA -0.192 4.358 4.550 -0.001 0.000 0.291 201 Y C 2.477 178.443 175.900 0.111 0.000 1.137 201 Y CA 0.802 58.965 58.100 0.104 0.000 1.181 201 Y CB -0.908 37.590 38.460 0.064 0.000 0.989 201 Y HN 0.252 nan 8.280 nan 0.000 0.527 202 D N -1.229 119.339 120.400 0.281 0.000 2.178 202 D HA -0.223 4.417 4.640 -0.001 0.000 0.201 202 D C 2.037 178.457 176.300 0.201 0.000 0.980 202 D CA 1.202 55.319 54.000 0.195 0.000 0.842 202 D CB -0.586 40.314 40.800 0.165 0.000 0.948 202 D HN 0.438 nan 8.370 nan 0.000 0.472 203 Y N 0.996 121.380 120.300 0.139 0.000 2.184 203 Y HA -0.081 4.469 4.550 -0.001 0.000 0.290 203 Y C 2.142 178.104 175.900 0.103 0.000 1.129 203 Y CA 1.234 59.411 58.100 0.129 0.000 1.144 203 Y CB -0.269 38.301 38.460 0.183 0.000 0.995 203 Y HN -0.113 nan 8.280 nan 0.000 0.513 204 L N -0.289 121.091 121.223 0.263 0.000 2.109 204 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 204 L C 2.377 179.261 176.870 0.023 0.000 1.086 204 L CA 1.013 55.935 54.840 0.137 0.000 0.760 204 L CB -0.519 41.692 42.059 0.255 0.000 0.910 204 L HN 0.301 nan 8.230 nan 0.000 0.437 205 I N 0.580 121.175 120.570 0.042 0.000 2.087 205 I HA -0.276 3.894 4.170 -0.001 0.000 0.240 205 I C -0.159 175.938 176.117 -0.032 0.000 1.054 205 I CA 1.844 63.144 61.300 -0.001 0.000 1.311 205 I CB -1.730 36.275 38.000 0.009 0.000 1.024 205 I HN 0.263 nan 8.210 nan 0.000 0.402 206 P HA -0.141 nan 4.420 nan 0.000 0.218 206 P C 1.846 179.097 177.300 -0.082 0.000 1.149 206 P CA 1.706 64.767 63.100 -0.065 0.000 0.817 206 P CB -0.080 31.575 31.700 -0.076 0.000 0.785 207 I N -0.550 119.950 120.570 -0.118 0.000 2.286 207 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 207 I C 2.671 178.751 176.117 -0.060 0.000 1.104 207 I CA 1.141 62.373 61.300 -0.113 0.000 1.397 207 I CB -0.509 37.391 38.000 -0.167 0.000 1.072 207 I HN -0.182 nan 8.210 nan 0.000 0.417 208 I N 0.639 121.184 120.570 -0.041 0.000 2.226 208 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 208 I C 2.626 178.728 176.117 -0.025 0.000 1.100 208 I CA 1.231 62.518 61.300 -0.023 0.000 1.374 208 I CB -0.308 37.685 38.000 -0.012 0.000 1.057 208 I HN 0.235 nan 8.210 nan 0.000 0.413 209 E N 1.194 121.376 120.200 -0.030 0.000 2.051 209 E HA -0.301 4.048 4.350 -0.001 0.000 0.192 209 E C 2.037 178.621 176.600 -0.027 0.000 0.991 209 E CA 1.643 58.027 56.400 -0.027 0.000 0.799 209 E CB -0.213 29.470 29.700 -0.028 0.000 0.748 209 E HN 0.330 nan 8.360 nan 0.000 0.449 210 Q N 0.584 120.363 119.800 -0.035 0.000 2.124 210 Q HA -0.052 4.288 4.340 -0.001 0.000 0.202 210 Q C 1.780 177.763 176.000 -0.029 0.000 0.977 210 Q CA 1.825 57.608 55.803 -0.034 0.000 0.850 210 Q CB -0.086 28.627 28.738 -0.043 0.000 0.901 210 Q HN 0.256 nan 8.270 nan 0.000 0.429 211 R N -0.867 119.616 120.500 -0.028 0.000 2.313 211 R HA 0.159 4.498 4.340 -0.001 0.000 0.199 211 R C 1.876 178.165 176.300 -0.019 0.000 0.958 211 R CA 0.314 56.399 56.100 -0.024 0.000 1.047 211 R CB 0.176 30.461 30.300 -0.025 0.000 0.955 211 R HN 0.132 nan 8.270 nan 0.000 0.481 212 R N 0.025 120.514 120.500 -0.017 0.000 2.189 212 R HA 0.051 4.391 4.340 -0.001 0.000 0.203 212 R C 1.920 178.211 176.300 -0.014 0.000 1.012 212 R CA 0.669 56.761 56.100 -0.014 0.000 1.015 212 R CB 0.324 30.617 30.300 -0.012 0.000 0.938 212 R HN 0.226 nan 8.270 nan 0.000 0.472 213 Q N 0.321 120.111 119.800 -0.016 0.000 2.089 213 Q HA 0.014 4.354 4.340 -0.001 0.000 0.195 213 Q C 0.146 176.137 176.000 -0.016 0.000 0.963 213 Q CA 0.987 56.781 55.803 -0.015 0.000 0.834 213 Q CB 0.387 29.115 28.738 -0.016 0.000 0.906 213 Q HN 0.064 nan 8.270 nan 0.000 0.452 214 K N 1.314 121.703 120.400 -0.018 0.000 2.679 214 K HA 0.356 4.676 4.320 -0.001 0.000 0.188 214 K C -2.688 173.901 176.600 -0.019 0.000 1.055 214 K CA -1.540 54.737 56.287 -0.017 0.000 1.006 214 K CB 1.619 34.108 32.500 -0.018 0.000 1.317 214 K HN -0.042 nan 8.250 nan 0.000 0.584 215 P HA -0.044 nan 4.420 nan 0.000 0.265 215 P C 0.197 177.485 177.300 -0.020 0.000 1.193 215 P CA 0.137 63.226 63.100 -0.019 0.000 0.765 215 P CB 0.983 32.673 31.700 -0.016 0.000 0.823 216 G N 0.867 109.653 108.800 -0.023 0.000 2.702 216 G HA2 0.421 4.380 3.960 -0.001 0.000 0.254 216 G HA3 0.421 4.380 3.960 -0.001 0.000 0.254 216 G C 0.544 175.428 174.900 -0.026 0.000 1.380 216 G CA -0.194 44.892 45.100 -0.025 0.000 1.042 216 G HN 0.430 nan 8.290 nan 0.000 0.557 217 T N -1.745 112.792 114.554 -0.029 0.000 3.069 217 T HA 0.156 4.506 4.350 -0.001 0.000 0.252 217 T C 0.555 175.232 174.700 -0.038 0.000 1.053 217 T CA 0.399 62.482 62.100 -0.029 0.000 0.964 217 T CB -0.312 68.540 68.868 -0.027 0.000 1.005 217 T HN 0.592 nan 8.240 nan 0.000 0.532 218 D N 1.093 121.466 120.400 -0.045 0.000 2.360 218 D HA 0.285 4.924 4.640 -0.001 0.000 0.242 218 D C 1.442 177.706 176.300 -0.060 0.000 1.184 218 D CA -0.031 53.931 54.000 -0.063 0.000 0.930 218 D CB 1.410 42.167 40.800 -0.072 0.000 1.161 218 D HN 0.113 nan 8.370 nan 0.000 0.447 219 A N 1.415 124.186 122.820 -0.082 0.000 1.940 219 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 219 A C 2.377 179.940 177.584 -0.035 0.000 1.176 219 A CA 1.052 53.052 52.037 -0.061 0.000 0.631 219 A CB -0.712 18.235 19.000 -0.088 0.000 0.814 219 A HN 0.679 nan 8.150 nan 0.000 0.446 220 I N -0.443 120.102 120.570 -0.042 0.000 2.252 220 I HA -0.199 3.971 4.170 -0.001 0.000 0.245 220 I C 2.598 178.709 176.117 -0.010 0.000 1.102 220 I CA 1.367 62.660 61.300 -0.011 0.000 1.385 220 I CB -0.348 37.648 38.000 -0.006 0.000 1.064 220 I HN 0.223 nan 8.210 nan 0.000 0.414 221 S N 0.880 116.567 115.700 -0.021 0.000 2.368 221 S HA -0.098 4.372 4.470 -0.001 0.000 0.225 221 S C 2.016 176.608 174.600 -0.012 0.000 1.030 221 S CA 1.009 59.198 58.200 -0.018 0.000 0.999 221 S CB -0.131 63.055 63.200 -0.023 0.000 0.844 221 S HN 0.265 nan 8.310 nan 0.000 0.459 222 I N 1.290 121.851 120.570 -0.014 0.000 2.179 222 I HA -0.102 4.068 4.170 -0.001 0.000 0.242 222 I C 2.313 178.431 176.117 0.001 0.000 1.088 222 I CA 1.114 62.409 61.300 -0.009 0.000 1.357 222 I CB -1.521 36.472 38.000 -0.011 0.000 1.051 222 I HN 0.159 nan 8.210 nan 0.000 0.409 223 V N 1.383 121.303 119.914 0.010 0.000 2.295 223 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 223 V C 2.769 178.879 176.094 0.028 0.000 1.049 223 V CA 1.783 64.099 62.300 0.027 0.000 1.024 223 V CB -1.078 30.768 31.823 0.039 0.000 0.648 223 V HN 0.465 nan 8.190 nan 0.000 0.447 224 A N 0.063 122.893 122.820 0.017 0.000 2.070 224 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 224 A C 1.663 179.252 177.584 0.008 0.000 1.159 224 A CA 1.984 54.029 52.037 0.013 0.000 0.656 224 A CB -0.576 18.426 19.000 0.003 0.000 0.800 224 A HN 0.690 nan 8.150 nan 0.000 0.453 225 N N -0.895 117.807 118.700 0.003 0.000 2.234 225 N HA 0.304 5.043 4.740 -0.001 0.000 0.227 225 N C 0.641 176.147 175.510 -0.005 0.000 1.151 225 N CA 0.377 53.425 53.050 -0.003 0.000 0.865 225 N CB 0.785 39.267 38.487 -0.008 0.000 1.066 225 N HN 0.385 nan 8.380 nan 0.000 0.515 226 G N -0.127 108.672 108.800 -0.001 0.000 2.616 226 G HA2 0.306 4.266 3.960 -0.001 0.000 0.268 226 G HA3 0.306 4.266 3.960 -0.001 0.000 0.268 226 G C -0.452 174.434 174.900 -0.024 0.000 1.213 226 G CA -0.290 44.803 45.100 -0.011 0.000 0.926 226 G HN 0.091 nan 8.290 nan 0.000 0.523 227 Q N -1.257 118.515 119.800 -0.047 0.000 2.353 227 Q HA 0.525 4.865 4.340 -0.001 0.000 0.268 227 Q C -0.857 175.068 176.000 -0.124 0.000 1.045 227 Q CA -0.849 54.913 55.803 -0.068 0.000 0.811 227 Q CB 2.705 31.409 28.738 -0.057 0.000 1.305 227 Q HN 0.541 nan 8.270 nan 0.000 0.447 228 V N -0.422 119.391 119.914 -0.169 0.000 2.686 228 V HA 0.464 4.584 4.120 -0.001 0.000 0.306 228 V C -0.391 175.572 176.094 -0.219 0.000 1.065 228 V CA -0.826 61.295 62.300 -0.299 0.000 0.894 228 V CB 1.480 32.927 31.823 -0.626 0.000 1.004 228 V HN 1.004 nan 8.190 nan 0.000 0.424 229 N N 2.973 121.556 118.700 -0.194 0.000 2.735 229 N HA -0.168 4.572 4.740 -0.001 0.000 0.248 229 N C 1.085 176.547 175.510 -0.081 0.000 1.083 229 N CA 0.848 53.825 53.050 -0.122 0.000 0.703 229 N CB -1.154 37.267 38.487 -0.110 0.000 1.005 229 N HN 2.090 nan 8.380 nan 0.000 0.550 230 G N -0.692 108.062 108.800 -0.078 0.000 2.155 230 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.257 230 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.257 230 G C 0.117 174.989 174.900 -0.046 0.000 0.983 230 G CA 1.100 46.167 45.100 -0.054 0.000 0.676 230 G HN 0.830 nan 8.290 nan 0.000 0.528 231 R N -1.689 118.779 120.500 -0.054 0.000 2.799 231 R HA 0.776 5.115 4.340 -0.001 0.000 0.270 231 R C -3.380 172.897 176.300 -0.038 0.000 1.010 231 R CA -2.466 53.612 56.100 -0.037 0.000 0.916 231 R CB 0.012 30.297 30.300 -0.026 0.000 1.228 231 R HN 0.030 nan 8.270 nan 0.000 0.469 232 P HA 0.071 nan 4.420 nan 0.000 0.268 232 P C -0.333 176.966 177.300 -0.000 0.000 1.205 232 P CA -0.219 62.873 63.100 -0.014 0.000 0.771 232 P CB 0.482 32.178 31.700 -0.007 0.000 0.858 233 I N 2.354 122.930 120.570 0.010 0.000 2.696 233 I HA 0.098 4.268 4.170 -0.001 0.000 0.284 233 I C 0.674 176.823 176.117 0.053 0.000 1.129 233 I CA -0.012 61.322 61.300 0.056 0.000 1.410 233 I CB 0.824 38.873 38.000 0.081 0.000 1.399 233 I HN 0.395 nan 8.210 nan 0.000 0.579 234 T N 2.282 116.880 114.554 0.073 0.000 2.899 234 T HA 0.200 4.550 4.350 -0.001 0.000 0.284 234 T C 1.054 175.766 174.700 0.020 0.000 1.004 234 T CA -0.459 61.663 62.100 0.038 0.000 1.043 234 T CB 1.535 70.423 68.868 0.034 0.000 1.013 234 T HN 0.671 nan 8.240 nan 0.000 0.518 235 S N 0.685 116.384 115.700 -0.001 0.000 2.370 235 S HA -0.142 4.328 4.470 -0.001 0.000 0.226 235 S C 1.643 176.218 174.600 -0.043 0.000 1.033 235 S CA 1.676 59.865 58.200 -0.018 0.000 1.011 235 S CB -0.629 62.556 63.200 -0.024 0.000 0.852 235 S HN 0.947 nan 8.310 nan 0.000 0.457 236 D N 0.676 121.043 120.400 -0.056 0.000 2.144 236 D HA -0.076 4.563 4.640 -0.001 0.000 0.200 236 D C 2.004 178.237 176.300 -0.112 0.000 0.978 236 D CA 0.996 54.931 54.000 -0.109 0.000 0.833 236 D CB 0.008 40.748 40.800 -0.100 0.000 0.961 236 D HN 0.455 nan 8.370 nan 0.000 0.470 237 E N -0.164 120.008 120.200 -0.046 0.000 2.072 237 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 237 E C 2.118 178.713 176.600 -0.008 0.000 0.985 237 E CA 0.877 57.256 56.400 -0.035 0.000 0.801 237 E CB -0.118 29.642 29.700 0.100 0.000 0.750 237 E HN 0.308 nan 8.360 nan 0.000 0.452 238 A N 1.805 124.637 122.820 0.021 0.000 1.933 238 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 238 A C 2.069 179.654 177.584 0.002 0.000 1.175 238 A CA 1.622 53.676 52.037 0.029 0.000 0.628 238 A CB -0.399 18.616 19.000 0.025 0.000 0.814 238 A HN 0.071 nan 8.150 nan 0.000 0.444 239 K N -0.306 120.064 120.400 -0.049 0.000 2.026 239 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 239 K C 2.194 178.772 176.600 -0.036 0.000 1.048 239 K CA 1.540 57.780 56.287 -0.078 0.000 0.929 239 K CB -0.206 32.150 32.500 -0.241 0.000 0.713 239 K HN 0.432 nan 8.250 nan 0.000 0.439 240 R N -0.036 120.406 120.500 -0.097 0.000 2.152 240 R HA -0.063 4.276 4.340 -0.001 0.000 0.232 240 R C 2.319 178.665 176.300 0.077 0.000 1.117 240 R CA 1.424 57.574 56.100 0.083 0.000 0.981 240 R CB -0.117 30.174 30.300 -0.015 0.000 0.870 240 R HN 0.344 nan 8.270 nan 0.000 0.451 241 M N -0.581 119.020 119.600 0.003 0.000 2.216 241 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 241 M C 1.867 178.135 176.300 -0.053 0.000 1.080 241 M CA 1.290 56.580 55.300 -0.017 0.000 1.153 241 M CB 0.152 32.777 32.600 0.041 0.000 1.356 241 M HN 0.216 nan 8.290 nan 0.000 0.432 242 C N 0.553 119.854 119.300 0.002 0.000 2.422 242 C HA -0.052 4.408 4.460 -0.001 0.000 0.279 242 C C 2.704 177.667 174.990 -0.045 0.000 1.305 242 C CA 0.992 60.026 59.018 0.027 0.000 1.757 242 C CB -1.889 25.899 27.740 0.080 0.000 1.962 242 C HN 0.803 nan 8.230 nan 0.000 0.499 243 G N 0.470 109.222 108.800 -0.081 0.000 2.440 243 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.218 243 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.218 243 G C 1.507 175.852 174.900 -0.925 0.000 1.154 243 G CA 1.018 45.941 45.100 -0.294 0.000 0.767 243 G HN 0.469 nan 8.290 nan 0.000 0.552 244 L N 0.538 121.087 121.223 -1.123 0.000 2.056 244 L HA 0.121 4.460 4.340 -0.001 0.000 0.207 244 L C 2.678 179.300 176.870 -0.414 0.000 1.078 244 L CA 1.304 55.573 54.840 -0.952 0.000 0.749 244 L CB -0.472 41.286 42.059 -0.502 0.000 0.901 244 L HN 0.217 nan 8.230 nan 0.000 0.433 245 L N -1.323 119.761 121.223 -0.231 0.000 2.083 245 L HA -0.241 4.098 4.340 -0.001 0.000 0.209 245 L C 2.531 179.223 176.870 -0.297 0.000 1.083 245 L CA 1.164 55.952 54.840 -0.086 0.000 0.752 245 L CB -0.610 41.543 42.059 0.156 0.000 0.899 245 L HN 0.319 nan 8.230 nan 0.000 0.433 246 L N -0.890 120.193 121.223 -0.233 0.000 2.017 246 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 246 L C 2.564 179.162 176.870 -0.453 0.000 1.073 246 L CA 1.036 55.666 54.840 -0.350 0.000 0.745 246 L CB -0.614 41.370 42.059 -0.126 0.000 0.894 246 L HN 0.089 nan 8.230 nan 0.000 0.432 247 V N 0.220 119.942 119.914 -0.321 0.000 2.343 247 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 247 V C 2.639 178.611 176.094 -0.204 0.000 1.051 247 V CA 2.008 64.191 62.300 -0.195 0.000 1.036 247 V CB -1.348 30.447 31.823 -0.047 0.000 0.654 247 V HN 0.574 nan 8.190 nan 0.000 0.451 248 G N -0.007 108.652 108.800 -0.234 0.000 2.422 248 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.218 248 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.218 248 G C 1.579 176.303 174.900 -0.295 0.000 1.146 248 G CA 0.922 45.913 45.100 -0.181 0.000 0.769 248 G HN 0.595 nan 8.290 nan 0.000 0.547 249 G N 0.214 108.623 108.800 -0.652 0.000 2.430 249 G HA2 0.064 4.024 3.960 -0.001 0.000 0.216 249 G HA3 0.064 4.024 3.960 -0.001 0.000 0.216 249 G C 1.493 176.110 174.900 -0.472 0.000 1.146 249 G CA 0.491 45.099 45.100 -0.821 0.000 0.793 249 G HN 0.335 nan 8.290 nan 0.000 0.537 250 L N -0.341 120.631 121.223 -0.419 0.000 2.513 250 L HA 0.354 4.694 4.340 -0.001 0.000 0.222 250 L C 0.688 177.486 176.870 -0.121 0.000 1.096 250 L CA 0.710 55.421 54.840 -0.215 0.000 0.857 250 L CB 0.619 42.561 42.059 -0.195 0.000 1.026 250 L HN 0.061 nan 8.230 nan 0.000 0.469 251 D N -1.956 118.382 120.400 -0.103 0.000 2.837 251 D HA 0.139 4.779 4.640 -0.001 0.000 0.340 251 D C 0.995 177.298 176.300 0.004 0.000 1.451 251 D CA 0.772 54.751 54.000 -0.035 0.000 0.798 251 D CB 0.468 41.258 40.800 -0.017 0.000 1.169 251 D HN 0.241 nan 8.370 nan 0.000 0.449 252 T N -4.470 110.089 114.554 0.008 0.000 3.429 252 T HA 0.070 4.419 4.350 -0.001 0.000 0.212 252 T C 1.800 176.568 174.700 0.113 0.000 0.980 252 T CA 0.537 62.669 62.100 0.055 0.000 1.201 252 T CB -0.503 68.389 68.868 0.041 0.000 1.289 252 T HN -0.167 nan 8.240 nan 0.000 0.346 253 V N 2.504 122.482 119.914 0.107 0.000 2.324 253 V HA -0.177 3.943 4.120 -0.001 0.000 0.250 253 V C 2.930 179.145 176.094 0.201 0.000 1.060 253 V CA 1.900 64.311 62.300 0.185 0.000 1.042 253 V CB -1.073 30.826 31.823 0.126 0.000 0.650 253 V HN 0.455 nan 8.190 nan 0.000 0.450 254 V N 0.815 120.790 119.914 0.101 0.000 2.278 254 V HA -0.332 3.787 4.120 -0.001 0.000 0.251 254 V C 2.316 178.455 176.094 0.075 0.000 1.062 254 V CA 2.527 64.868 62.300 0.068 0.000 1.038 254 V CB -0.802 31.025 31.823 0.007 0.000 0.646 254 V HN 0.634 nan 8.190 nan 0.000 0.447 255 N N -0.801 117.946 118.700 0.077 0.000 2.171 255 N HA -0.113 4.626 4.740 -0.001 0.000 0.184 255 N C 1.786 177.341 175.510 0.075 0.000 1.021 255 N CA 1.531 54.590 53.050 0.017 0.000 0.854 255 N CB -0.402 38.125 38.487 0.067 0.000 0.994 255 N HN 0.550 nan 8.380 nan 0.000 0.426 256 F N 2.317 122.345 119.950 0.131 0.000 2.126 256 F HA -0.078 4.449 4.527 -0.001 0.000 0.299 256 F C 2.158 178.052 175.800 0.157 0.000 1.096 256 F CA 0.993 59.121 58.000 0.213 0.000 1.255 256 F CB -0.220 38.860 39.000 0.134 0.000 0.997 256 F HN -0.088 nan 8.300 nan 0.000 0.479 257 L N -0.575 120.718 121.223 0.117 0.000 2.079 257 L HA -0.280 4.059 4.340 -0.001 0.000 0.210 257 L C 2.539 179.381 176.870 -0.046 0.000 1.081 257 L CA 1.556 56.453 54.840 0.096 0.000 0.752 257 L CB -0.930 41.372 42.059 0.404 0.000 0.896 257 L HN 0.114 nan 8.230 nan 0.000 0.433 258 S N -0.651 115.037 115.700 -0.020 0.000 2.383 258 S HA -0.106 4.364 4.470 -0.001 0.000 0.227 258 S C 1.750 176.099 174.600 -0.418 0.000 1.026 258 S CA 1.110 59.214 58.200 -0.160 0.000 0.981 258 S CB -0.279 62.829 63.200 -0.153 0.000 0.818 258 S HN 0.217 nan 8.310 nan 0.000 0.472 259 F N 2.149 121.840 119.950 -0.432 0.000 2.134 259 F HA -0.082 4.445 4.527 -0.001 0.000 0.299 259 F C 2.759 177.996 175.800 -0.939 0.000 1.097 259 F CA 0.873 58.479 58.000 -0.657 0.000 1.264 259 F CB -0.959 37.677 39.000 -0.606 0.000 1.001 259 F HN 0.099 nan 8.300 nan 0.000 0.479 260 S N -0.380 114.902 115.700 -0.697 0.000 2.355 260 S HA -0.173 4.297 4.470 -0.001 0.000 0.222 260 S C 2.118 176.496 174.600 -0.371 0.000 1.031 260 S CA 1.175 59.029 58.200 -0.576 0.000 0.993 260 S CB -0.246 62.638 63.200 -0.525 0.000 0.859 260 S HN 0.180 nan 8.310 nan 0.000 0.453 261 M N 1.326 120.619 119.600 -0.511 0.000 2.175 261 M HA -0.024 4.456 4.480 -0.001 0.000 0.264 261 M C 2.189 178.264 176.300 -0.375 0.000 1.063 261 M CA 1.162 56.092 55.300 -0.615 0.000 1.119 261 M CB -1.263 30.478 32.600 -1.431 0.000 1.377 261 M HN 0.442 nan 8.290 nan 0.000 0.415 262 E N -0.109 119.880 120.200 -0.351 0.000 2.058 262 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 262 E C 2.035 178.555 176.600 -0.134 0.000 0.997 262 E CA 1.398 57.685 56.400 -0.189 0.000 0.801 262 E CB -0.261 29.368 29.700 -0.118 0.000 0.746 262 E HN 0.394 nan 8.360 nan 0.000 0.450 263 F N 1.328 121.081 119.950 -0.329 0.000 2.102 263 F HA -0.180 4.347 4.527 -0.001 0.000 0.298 263 F C 2.029 177.731 175.800 -0.163 0.000 1.105 263 F CA 1.447 59.303 58.000 -0.239 0.000 1.239 263 F CB -0.196 38.608 39.000 -0.326 0.000 0.991 263 F HN 0.001 nan 8.300 nan 0.000 0.474 264 L N 0.135 121.265 121.223 -0.156 0.000 2.083 264 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 264 L C 2.805 179.418 176.870 -0.429 0.000 1.083 264 L CA 1.116 55.825 54.840 -0.219 0.000 0.752 264 L CB -1.198 40.902 42.059 0.069 0.000 0.899 264 L HN 0.309 nan 8.230 nan 0.000 0.433 265 A N 0.044 122.694 122.820 -0.283 0.000 1.972 265 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 265 A C 2.191 179.593 177.584 -0.304 0.000 1.169 265 A CA 1.462 53.305 52.037 -0.322 0.000 0.635 265 A CB -0.232 18.785 19.000 0.028 0.000 0.810 265 A HN 0.362 nan 8.150 nan 0.000 0.446 266 K N -0.819 119.396 120.400 -0.307 0.000 2.393 266 K HA 0.129 4.449 4.320 -0.001 0.000 0.193 266 K C 0.259 176.652 176.600 -0.345 0.000 1.026 266 K CA 0.510 56.636 56.287 -0.268 0.000 1.064 266 K CB 0.320 32.700 32.500 -0.200 0.000 0.833 266 K HN 0.234 nan 8.250 nan 0.000 0.521 267 S N 1.179 116.587 115.700 -0.488 0.000 2.259 267 S HA 0.271 4.741 4.470 -0.001 0.000 0.181 267 S C -2.349 172.109 174.600 -0.236 0.000 1.589 267 S CA -1.706 56.255 58.200 -0.399 0.000 1.234 267 S CB 0.701 63.464 63.200 -0.728 0.000 1.119 267 S HN -0.137 nan 8.310 nan 0.000 0.458 268 P HA -0.126 nan 4.420 nan 0.000 0.216 268 P C 0.928 178.188 177.300 -0.067 0.000 1.150 268 P CA 1.199 64.214 63.100 -0.142 0.000 0.843 268 P CB 0.216 31.849 31.700 -0.113 0.000 0.787 269 E N -1.904 118.271 120.200 -0.042 0.000 2.110 269 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 269 E C 1.840 178.397 176.600 -0.072 0.000 0.988 269 E CA 1.312 57.680 56.400 -0.053 0.000 0.804 269 E CB -0.911 28.747 29.700 -0.071 0.000 0.745 269 E HN 0.487 nan 8.360 nan 0.000 0.458 270 H N -0.342 118.694 119.070 -0.056 0.000 2.403 270 H HA 0.155 4.711 4.556 -0.001 0.000 0.298 270 H C 1.867 177.319 175.328 0.207 0.000 1.059 270 H CA 1.098 57.183 56.048 0.061 0.000 1.363 270 H CB 0.185 29.975 29.762 0.046 0.000 1.410 270 H HN -0.003 nan 8.280 nan 0.000 0.528 271 R N 0.172 120.775 120.500 0.172 0.000 2.073 271 R HA -0.163 4.177 4.340 -0.001 0.000 0.234 271 R C 2.190 178.555 176.300 0.108 0.000 1.134 271 R CA 1.397 57.569 56.100 0.119 0.000 0.952 271 R CB -0.197 30.076 30.300 -0.046 0.000 0.850 271 R HN 0.263 nan 8.270 nan 0.000 0.433 272 Q N 1.114 120.947 119.800 0.056 0.000 2.096 272 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 272 Q C 1.863 177.905 176.000 0.070 0.000 0.982 272 Q CA 1.870 57.699 55.803 0.044 0.000 0.850 272 Q CB -0.084 28.661 28.738 0.011 0.000 0.901 272 Q HN 0.351 nan 8.270 nan 0.000 0.422 273 E N -0.618 119.640 120.200 0.096 0.000 2.085 273 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 273 E C 1.651 178.344 176.600 0.155 0.000 0.994 273 E CA 1.340 57.817 56.400 0.129 0.000 0.801 273 E CB -0.145 29.663 29.700 0.180 0.000 0.743 273 E HN 0.435 nan 8.360 nan 0.000 0.453 274 L N 0.359 121.692 121.223 0.185 0.000 2.313 274 L HA -0.049 4.290 4.340 -0.001 0.000 0.214 274 L C 2.331 179.252 176.870 0.085 0.000 1.119 274 L CA 0.374 55.285 54.840 0.119 0.000 0.809 274 L CB -0.165 41.960 42.059 0.110 0.000 0.933 274 L HN 0.242 nan 8.230 nan 0.000 0.449 275 I N -0.328 120.294 120.570 0.086 0.000 2.333 275 I HA -0.184 3.986 4.170 -0.001 0.000 0.246 275 I C 2.190 178.337 176.117 0.050 0.000 1.106 275 I CA 1.138 62.476 61.300 0.064 0.000 1.411 275 I CB -0.085 37.951 38.000 0.060 0.000 1.082 275 I HN 0.235 nan 8.210 nan 0.000 0.420 276 E N 0.611 120.842 120.200 0.051 0.000 2.230 276 E HA 0.022 4.371 4.350 -0.001 0.000 0.192 276 E C 0.504 177.129 176.600 0.042 0.000 0.987 276 E CA 0.496 56.921 56.400 0.041 0.000 0.841 276 E CB 0.331 30.053 29.700 0.037 0.000 0.783 276 E HN 0.240 nan 8.360 nan 0.000 0.481 277 R N 0.463 120.994 120.500 0.052 0.000 2.629 277 R HA 0.176 4.516 4.340 -0.001 0.000 0.277 277 R C -2.323 174.005 176.300 0.045 0.000 1.637 277 R CA -1.422 54.708 56.100 0.049 0.000 1.663 277 R CB 0.971 31.307 30.300 0.059 0.000 1.228 277 R HN 0.019 nan 8.270 nan 0.000 0.632 278 P HA -0.217 nan 4.420 nan 0.000 0.216 278 P C 1.282 178.595 177.300 0.022 0.000 1.150 278 P CA 1.118 64.237 63.100 0.030 0.000 0.837 278 P CB 0.305 32.022 31.700 0.029 0.000 0.786 279 E N 0.447 120.662 120.200 0.025 0.000 2.463 279 E HA -0.220 4.130 4.350 -0.001 0.000 0.201 279 E C 1.754 178.365 176.600 0.018 0.000 1.045 279 E CA 1.056 57.469 56.400 0.022 0.000 0.872 279 E CB -0.711 29.004 29.700 0.025 0.000 0.797 279 E HN 0.269 nan 8.360 nan 0.000 0.538 280 R N 0.390 120.899 120.500 0.014 0.000 2.297 280 R HA 0.201 4.541 4.340 -0.001 0.000 0.197 280 R C 2.187 178.445 176.300 -0.070 0.000 0.943 280 R CA 0.014 56.114 56.100 -0.000 0.000 1.038 280 R CB -0.049 30.274 30.300 0.037 0.000 0.957 280 R HN 0.161 nan 8.270 nan 0.000 0.484 281 I N 1.440 121.975 120.570 -0.059 0.000 2.163 281 I HA -0.194 3.975 4.170 -0.001 0.000 0.243 281 I C -0.882 175.192 176.117 -0.071 0.000 1.085 281 I CA 1.243 62.488 61.300 -0.092 0.000 1.347 281 I CB -0.899 37.086 38.000 -0.025 0.000 1.044 281 I HN 0.128 nan 8.210 nan 0.000 0.408 282 P HA -0.176 nan 4.420 nan 0.000 0.215 282 P C 1.489 178.792 177.300 0.006 0.000 1.153 282 P CA 1.834 64.942 63.100 0.013 0.000 0.853 282 P CB -0.008 31.710 31.700 0.030 0.000 0.788 283 A N -0.133 122.681 122.820 -0.010 0.000 1.898 283 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 283 A C 2.303 179.867 177.584 -0.034 0.000 1.181 283 A CA 1.993 54.036 52.037 0.010 0.000 0.620 283 A CB -1.590 17.431 19.000 0.034 0.000 0.819 283 A HN 0.183 nan 8.150 nan 0.000 0.442 284 A N -0.841 121.845 122.820 -0.223 0.000 1.902 284 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 284 A C 2.424 179.898 177.584 -0.183 0.000 1.181 284 A CA 1.747 53.444 52.037 -0.567 0.000 0.623 284 A CB -1.499 16.736 19.000 -1.275 0.000 0.818 284 A HN 0.966 nan 8.150 nan 0.000 0.443 285 C N -0.516 118.742 119.300 -0.070 0.000 2.413 285 C HA -0.146 4.314 4.460 -0.001 0.000 0.276 285 C C 2.565 177.614 174.990 0.098 0.000 1.236 285 C CA 1.940 61.005 59.018 0.079 0.000 1.735 285 C CB -1.093 26.704 27.740 0.094 0.000 2.031 285 C HN 0.682 nan 8.230 nan 0.000 0.474 286 E N 0.716 120.959 120.200 0.072 0.000 2.077 286 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 286 E C 2.072 178.711 176.600 0.065 0.000 0.989 286 E CA 1.920 58.372 56.400 0.087 0.000 0.800 286 E CB -0.411 29.364 29.700 0.126 0.000 0.746 286 E HN 0.787 nan 8.360 nan 0.000 0.452 287 E N 0.037 120.296 120.200 0.098 0.000 2.110 287 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 287 E C 1.932 178.565 176.600 0.056 0.000 0.988 287 E CA 1.189 57.648 56.400 0.099 0.000 0.804 287 E CB -0.332 29.503 29.700 0.225 0.000 0.745 287 E HN 0.361 nan 8.360 nan 0.000 0.458 288 L N -0.062 121.258 121.223 0.162 0.000 2.093 288 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 288 L C 2.527 179.608 176.870 0.352 0.000 1.085 288 L CA 0.832 55.841 54.840 0.282 0.000 0.755 288 L CB -0.416 41.879 42.059 0.393 0.000 0.904 288 L HN 0.213 nan 8.230 nan 0.000 0.435 289 L N -0.470 120.840 121.223 0.145 0.000 2.131 289 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 289 L C 2.859 179.481 176.870 -0.413 0.000 1.092 289 L CA 1.166 55.827 54.840 -0.298 0.000 0.759 289 L CB -0.442 41.241 42.059 -0.626 0.000 0.903 289 L HN 0.282 nan 8.230 nan 0.000 0.435 290 R N 0.213 120.508 120.500 -0.342 0.000 2.055 290 R HA -0.180 4.160 4.340 -0.001 0.000 0.228 290 R C 2.490 178.611 176.300 -0.298 0.000 1.143 290 R CA 1.308 57.225 56.100 -0.305 0.000 0.945 290 R CB -0.114 30.116 30.300 -0.118 0.000 0.841 290 R HN 0.049 nan 8.270 nan 0.000 0.429 291 R N 0.123 120.407 120.500 -0.361 0.000 2.081 291 R HA -0.093 4.247 4.340 -0.001 0.000 0.235 291 R C 0.698 176.454 176.300 -0.907 0.000 1.131 291 R CA 1.678 57.371 56.100 -0.677 0.000 0.960 291 R CB -0.322 29.400 30.300 -0.963 0.000 0.856 291 R HN 0.275 nan 8.270 nan 0.000 0.436 292 F N 0.352 120.184 119.950 -0.198 0.000 2.925 292 F HA 0.392 4.918 4.527 -0.001 0.000 0.302 292 F C 0.463 176.110 175.800 -0.255 0.000 1.189 292 F CA -0.534 57.280 58.000 -0.310 0.000 1.346 292 F CB 0.253 39.071 39.000 -0.304 0.000 0.954 292 F HN -0.110 nan 8.300 nan 0.000 0.506 293 S N 1.742 117.309 115.700 -0.221 0.000 2.566 293 S HA 0.204 4.673 4.470 -0.001 0.000 0.280 293 S C 0.859 175.275 174.600 -0.308 0.000 1.343 293 S CA -0.045 57.990 58.200 -0.275 0.000 1.036 293 S CB 0.496 63.505 63.200 -0.320 0.000 0.866 293 S HN 0.574 nan 8.310 nan 0.000 0.526 294 L N 1.847 122.913 121.223 -0.263 0.000 3.520 294 L HA 0.570 4.909 4.340 -0.001 0.000 0.323 294 L C -0.908 175.810 176.870 -0.254 0.000 1.246 294 L CA -0.569 54.121 54.840 -0.250 0.000 1.085 294 L CB 0.183 42.235 42.059 -0.013 0.000 1.477 294 L HN 0.322 nan 8.230 nan 0.000 0.624 295 V N 1.720 121.470 119.914 -0.274 0.000 2.630 295 V HA 0.872 4.992 4.120 -0.001 0.000 0.305 295 V C 0.200 176.108 176.094 -0.310 0.000 1.046 295 V CA 0.019 62.176 62.300 -0.240 0.000 0.934 295 V CB 1.560 33.292 31.823 -0.152 0.000 1.003 295 V HN 0.341 nan 8.190 nan 0.000 0.451 296 A N 3.218 125.870 122.820 -0.280 0.000 2.667 296 A HA 0.667 4.986 4.320 -0.001 0.000 0.291 296 A C -0.831 176.652 177.584 -0.169 0.000 1.123 296 A CA -0.620 51.275 52.037 -0.236 0.000 0.832 296 A CB 0.676 19.428 19.000 -0.414 0.000 1.396 296 A HN 0.850 nan 8.150 nan 0.000 0.401 297 D N 1.313 121.664 120.400 -0.081 0.000 2.723 297 D HA 0.866 5.506 4.640 -0.001 0.000 0.247 297 D C 0.482 176.810 176.300 0.046 0.000 1.134 297 D CA 0.073 54.015 54.000 -0.098 0.000 1.099 297 D CB 1.176 41.930 40.800 -0.077 0.000 1.287 297 D HN 0.946 nan 8.370 nan 0.000 0.634 298 G N -1.707 107.137 108.800 0.074 0.000 2.677 298 G HA2 0.547 4.506 3.960 -0.001 0.000 0.283 298 G HA3 0.547 4.506 3.960 -0.001 0.000 0.283 298 G C -1.093 173.854 174.900 0.078 0.000 1.221 298 G CA -0.691 44.446 45.100 0.062 0.000 0.851 298 G HN 0.459 nan 8.290 nan 0.000 0.504 299 R N -1.247 119.284 120.500 0.051 0.000 2.846 299 R HA 0.659 4.998 4.340 -0.001 0.000 0.263 299 R C -1.427 174.964 176.300 0.152 0.000 1.080 299 R CA -0.745 55.422 56.100 0.112 0.000 0.961 299 R CB 1.576 31.971 30.300 0.157 0.000 1.231 299 R HN 0.594 nan 8.270 nan 0.000 0.465 300 I N 1.345 122.017 120.570 0.169 0.000 2.545 300 I HA 0.276 4.446 4.170 -0.001 0.000 0.292 300 I C -0.717 175.498 176.117 0.163 0.000 1.040 300 I CA -1.060 60.342 61.300 0.169 0.000 1.068 300 I CB 1.417 39.487 38.000 0.117 0.000 1.251 300 I HN 0.216 nan 8.210 nan 0.000 0.424 301 L N 6.413 127.736 121.223 0.168 0.000 2.410 301 L HA 0.115 4.455 4.340 -0.001 0.000 0.273 301 L C 1.594 178.482 176.870 0.030 0.000 1.144 301 L CA 0.471 55.352 54.840 0.068 0.000 0.863 301 L CB 1.005 43.128 42.059 0.106 0.000 1.140 301 L HN 0.793 nan 8.230 nan 0.000 0.463 302 T N -1.524 113.008 114.554 -0.036 0.000 3.067 302 T HA 0.056 4.406 4.350 -0.001 0.000 0.261 302 T C 0.734 175.422 174.700 -0.020 0.000 1.110 302 T CA 0.492 62.575 62.100 -0.028 0.000 1.113 302 T CB 0.108 68.933 68.868 -0.073 0.000 0.917 302 T HN 0.654 nan 8.240 nan 0.000 0.499 303 S N -0.430 115.264 115.700 -0.011 0.000 2.636 303 S HA 0.400 4.869 4.470 -0.001 0.000 0.266 303 S C -2.166 172.459 174.600 0.042 0.000 1.147 303 S CA -1.202 57.007 58.200 0.015 0.000 0.815 303 S CB 0.749 63.956 63.200 0.013 0.000 1.119 303 S HN 0.042 nan 8.310 nan 0.000 0.470 304 D N 1.144 121.571 120.400 0.045 0.000 2.455 304 D HA 0.451 5.090 4.640 -0.001 0.000 0.241 304 D C -0.850 175.523 176.300 0.121 0.000 1.138 304 D CA 1.083 55.115 54.000 0.053 0.000 0.877 304 D CB 0.084 40.898 40.800 0.025 0.000 1.187 304 D HN 0.545 nan 8.370 nan 0.000 0.451 305 Y N 0.596 120.841 120.300 -0.092 0.000 2.390 305 Y HA 0.157 4.707 4.550 -0.001 0.000 0.324 305 Y C -1.057 174.778 175.900 -0.109 0.000 1.151 305 Y CA -0.973 57.027 58.100 -0.167 0.000 1.053 305 Y CB 1.266 39.505 38.460 -0.367 0.000 1.277 305 Y HN 0.324 nan 8.280 nan 0.000 0.432 306 E N 6.042 125.960 120.200 -0.470 0.000 2.194 306 E HA 0.316 4.666 4.350 -0.001 0.000 0.284 306 E C -1.871 174.310 176.600 -0.697 0.000 1.035 306 E CA -0.393 55.755 56.400 -0.420 0.000 0.836 306 E CB 0.550 30.098 29.700 -0.253 0.000 1.070 306 E HN 0.459 nan 8.360 nan 0.000 0.401 307 F N 5.506 125.100 119.950 -0.593 0.000 2.460 307 F HA 0.245 4.772 4.527 -0.001 0.000 0.341 307 F C -0.413 175.312 175.800 -0.125 0.000 1.130 307 F CA -0.659 57.094 58.000 -0.412 0.000 0.962 307 F CB 0.516 39.434 39.000 -0.135 0.000 1.171 307 F HN 0.650 nan 8.300 nan 0.000 0.436 308 H N 4.246 122.985 119.070 -0.551 0.000 2.604 308 H HA -0.190 4.366 4.556 -0.001 0.000 0.321 308 H C 1.426 176.601 175.328 -0.254 0.000 1.132 308 H CA 1.099 56.879 56.048 -0.447 0.000 1.129 308 H CB -0.992 28.407 29.762 -0.604 0.000 1.526 308 H HN 1.175 nan 8.280 nan 0.000 0.415 309 G N -0.949 107.757 108.800 -0.157 0.000 2.189 309 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.267 309 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.267 309 G C 0.308 175.170 174.900 -0.064 0.000 0.975 309 G CA 0.397 45.442 45.100 -0.091 0.000 0.644 309 G HN 0.496 nan 8.290 nan 0.000 0.537 310 V N 1.389 121.245 119.914 -0.097 0.000 2.459 310 V HA 0.482 4.602 4.120 -0.001 0.000 0.295 310 V C 0.101 176.109 176.094 -0.144 0.000 1.029 310 V CA -1.039 61.192 62.300 -0.115 0.000 0.874 310 V CB 1.870 33.565 31.823 -0.212 0.000 0.985 310 V HN 0.260 nan 8.190 nan 0.000 0.438 311 Q N 4.717 124.480 119.800 -0.063 0.000 2.323 311 Q HA 0.445 4.785 4.340 -0.001 0.000 0.257 311 Q C -0.762 175.271 176.000 0.055 0.000 1.022 311 Q CA 0.137 55.938 55.803 -0.003 0.000 0.919 311 Q CB 1.212 29.997 28.738 0.079 0.000 1.220 311 Q HN 0.578 nan 8.270 nan 0.000 0.427 312 L N 2.048 123.263 121.223 -0.013 0.000 2.309 312 L HA 0.490 4.829 4.340 -0.001 0.000 0.282 312 L C 0.395 177.338 176.870 0.121 0.000 1.036 312 L CA -0.626 54.254 54.840 0.066 0.000 0.806 312 L CB 1.381 43.416 42.059 -0.041 0.000 1.220 312 L HN 0.295 nan 8.230 nan 0.000 0.429 313 K N 2.802 123.298 120.400 0.159 0.000 2.123 313 K HA 0.264 4.583 4.320 -0.001 0.000 0.259 313 K C -0.334 176.306 176.600 0.066 0.000 0.960 313 K CA -0.803 55.459 56.287 -0.041 0.000 0.872 313 K CB 1.528 33.760 32.500 -0.448 0.000 1.079 313 K HN 0.436 nan 8.250 nan 0.000 0.440 314 K N 1.766 122.183 120.400 0.028 0.000 2.511 314 K HA -0.055 4.265 4.320 -0.001 0.000 0.280 314 K C 0.547 177.194 176.600 0.078 0.000 1.008 314 K CA 1.581 57.898 56.287 0.050 0.000 1.050 314 K CB 0.025 32.540 32.500 0.025 0.000 0.889 314 K HN 0.854 nan 8.250 nan 0.000 0.484 315 G N 3.159 112.024 108.800 0.107 0.000 2.258 315 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.233 315 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.233 315 G C -0.306 174.715 174.900 0.203 0.000 1.006 315 G CA 0.135 45.312 45.100 0.128 0.000 0.620 315 G HN 0.730 nan 8.290 nan 0.000 0.511 316 D N 1.863 122.434 120.400 0.285 0.000 2.472 316 D HA 0.395 5.034 4.640 -0.001 0.000 0.237 316 D C 0.852 177.402 176.300 0.417 0.000 1.141 316 D CA 0.649 54.930 54.000 0.468 0.000 0.875 316 D CB 0.483 41.720 40.800 0.729 0.000 1.192 316 D HN 0.531 nan 8.370 nan 0.000 0.450 317 Q N 0.933 120.971 119.800 0.397 0.000 2.245 317 Q HA 0.593 4.933 4.340 -0.001 0.000 0.256 317 Q C -0.365 175.858 176.000 0.371 0.000 0.942 317 Q CA -0.637 55.334 55.803 0.281 0.000 0.896 317 Q CB 2.545 31.366 28.738 0.138 0.000 1.272 317 Q HN 0.465 nan 8.270 nan 0.000 0.442 318 I N 2.973 123.713 120.570 0.283 0.000 2.447 318 I HA 0.246 4.415 4.170 -0.001 0.000 0.287 318 I C -1.540 174.639 176.117 0.103 0.000 1.023 318 I CA -1.115 60.357 61.300 0.286 0.000 1.083 318 I CB 1.146 39.290 38.000 0.240 0.000 1.245 318 I HN 0.501 nan 8.210 nan 0.000 0.434 319 L N 8.474 129.774 121.223 0.127 0.000 2.319 319 L HA 0.407 4.747 4.340 -0.001 0.000 0.280 319 L C -1.137 175.752 176.870 0.031 0.000 1.099 319 L CA 0.290 55.157 54.840 0.045 0.000 0.828 319 L CB 0.791 42.905 42.059 0.092 0.000 1.150 319 L HN 0.557 nan 8.230 nan 0.000 0.442 320 L N 7.560 128.767 121.223 -0.027 0.000 2.502 320 L HA 0.385 4.725 4.340 -0.001 0.000 0.247 320 L C -2.152 174.769 176.870 0.085 0.000 1.180 320 L CA -1.716 53.067 54.840 -0.096 0.000 0.956 320 L CB 0.793 42.527 42.059 -0.541 0.000 1.282 320 L HN 0.500 nan 8.230 nan 0.000 0.470 321 P HA -0.021 nan 4.420 nan 0.000 0.254 321 P C 0.333 177.616 177.300 -0.028 0.000 1.186 321 P CA 0.225 63.322 63.100 -0.004 0.000 0.868 321 P CB 0.625 32.354 31.700 0.049 0.000 0.856 322 Q N 2.590 122.373 119.800 -0.029 0.000 2.181 322 Q HA -0.203 4.137 4.340 -0.001 0.000 0.205 322 Q C 1.911 177.829 176.000 -0.136 0.000 0.980 322 Q CA 1.628 57.404 55.803 -0.045 0.000 0.862 322 Q CB -0.520 28.159 28.738 -0.098 0.000 0.905 322 Q HN 0.518 nan 8.270 nan 0.000 0.429 323 M N -0.329 119.122 119.600 -0.248 0.000 2.108 323 M HA -0.201 4.279 4.480 -0.001 0.000 0.261 323 M C 1.461 177.632 176.300 -0.214 0.000 1.066 323 M CA 1.536 56.651 55.300 -0.309 0.000 1.107 323 M CB -0.015 32.267 32.600 -0.530 0.000 1.356 323 M HN 0.286 nan 8.290 nan 0.000 0.406 324 L N -0.513 120.619 121.223 -0.152 0.000 2.201 324 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 324 L C 2.405 179.228 176.870 -0.078 0.000 1.105 324 L CA 0.767 55.553 54.840 -0.089 0.000 0.775 324 L CB -0.616 41.418 42.059 -0.042 0.000 0.913 324 L HN 0.331 nan 8.230 nan 0.000 0.440 325 S N 0.396 116.056 115.700 -0.067 0.000 2.365 325 S HA -0.172 4.297 4.470 -0.001 0.000 0.225 325 S C 1.966 176.533 174.600 -0.054 0.000 1.039 325 S CA 1.526 59.692 58.200 -0.057 0.000 1.033 325 S CB -0.604 62.568 63.200 -0.047 0.000 0.887 325 S HN 0.618 nan 8.310 nan 0.000 0.447 326 G N 0.629 109.399 108.800 -0.049 0.000 2.572 326 G HA2 0.054 4.014 3.960 -0.001 0.000 0.216 326 G HA3 0.054 4.014 3.960 -0.001 0.000 0.216 326 G C 1.118 175.971 174.900 -0.079 0.000 1.133 326 G CA 0.157 45.233 45.100 -0.040 0.000 0.791 326 G HN 0.452 nan 8.290 nan 0.000 0.538 327 L N 0.161 121.326 121.223 -0.097 0.000 2.529 327 L HA 0.175 4.515 4.340 -0.001 0.000 0.223 327 L C 0.566 177.391 176.870 -0.074 0.000 1.113 327 L CA -0.295 54.485 54.840 -0.100 0.000 0.861 327 L CB 0.052 42.047 42.059 -0.108 0.000 1.012 327 L HN 0.017 nan 8.230 nan 0.000 0.461 328 D N 1.967 122.327 120.400 -0.067 0.000 2.382 328 D HA -0.108 4.532 4.640 -0.001 0.000 0.259 328 D C 1.401 177.670 176.300 -0.052 0.000 1.224 328 D CA 0.165 54.128 54.000 -0.062 0.000 0.894 328 D CB 1.003 41.765 40.800 -0.064 0.000 1.127 328 D HN 0.203 nan 8.370 nan 0.000 0.487 329 E N 4.896 125.068 120.200 -0.047 0.000 2.401 329 E HA -0.214 4.135 4.350 -0.001 0.000 0.199 329 E C 0.869 177.449 176.600 -0.033 0.000 1.023 329 E CA 0.757 57.135 56.400 -0.037 0.000 0.859 329 E CB -0.017 29.663 29.700 -0.033 0.000 0.780 329 E HN 0.533 nan 8.360 nan 0.000 0.523 330 R N 0.148 120.624 120.500 -0.040 0.000 2.193 330 R HA 0.043 4.383 4.340 -0.001 0.000 0.213 330 R C 1.992 178.272 176.300 -0.033 0.000 1.055 330 R CA 1.159 57.237 56.100 -0.037 0.000 0.995 330 R CB 0.103 30.376 30.300 -0.044 0.000 0.893 330 R HN 0.298 nan 8.270 nan 0.000 0.459 331 E N -0.260 119.918 120.200 -0.036 0.000 2.251 331 E HA 0.097 4.447 4.350 -0.001 0.000 0.194 331 E C -0.101 176.485 176.600 -0.023 0.000 0.964 331 E CA 0.308 56.688 56.400 -0.033 0.000 0.868 331 E CB 0.482 30.158 29.700 -0.041 0.000 0.828 331 E HN 0.200 nan 8.360 nan 0.000 0.481 332 N N 0.458 119.144 118.700 -0.024 0.000 2.454 332 N HA 0.290 5.030 4.740 -0.001 0.000 0.291 332 N C -1.170 174.333 175.510 -0.011 0.000 1.079 332 N CA -0.196 52.845 53.050 -0.014 0.000 0.893 332 N CB 2.114 40.589 38.487 -0.019 0.000 1.512 332 N HN -0.034 nan 8.380 nan 0.000 0.497 333 A N 1.461 124.282 122.820 0.000 0.000 2.462 333 A HA 0.507 4.826 4.320 -0.001 0.000 0.243 333 A C 1.006 178.599 177.584 0.016 0.000 1.076 333 A CA 0.465 52.504 52.037 0.004 0.000 0.773 333 A CB -0.122 18.883 19.000 0.008 0.000 1.010 333 A HN 1.214 nan 8.150 nan 0.000 0.493 334 A N 2.911 125.738 122.820 0.011 0.000 2.466 334 A HA -0.105 4.214 4.320 -0.001 0.000 0.295 334 A C -0.413 177.191 177.584 0.034 0.000 1.465 334 A CA 0.658 52.711 52.037 0.027 0.000 0.744 334 A CB -1.557 17.469 19.000 0.044 0.000 1.098 334 A HN 0.824 nan 8.150 nan 0.000 0.402 335 P HA -0.227 nan 4.420 nan 0.000 0.217 335 P C 1.232 178.482 177.300 -0.084 0.000 1.148 335 P CA 1.605 64.676 63.100 -0.049 0.000 0.828 335 P CB -0.110 31.555 31.700 -0.058 0.000 0.783 336 M N -1.646 117.923 119.600 -0.052 0.000 2.595 336 M HA 0.045 4.525 4.480 -0.001 0.000 0.248 336 M C 0.867 177.139 176.300 -0.046 0.000 1.119 336 M CA 0.256 55.509 55.300 -0.078 0.000 1.079 336 M CB -1.929 30.653 32.600 -0.030 0.000 1.472 336 M HN 0.063 nan 8.290 nan 0.000 0.501 337 H N 0.473 119.490 119.070 -0.089 0.000 2.527 337 H HA 0.424 4.979 4.556 -0.001 0.000 0.321 337 H C -1.028 174.245 175.328 -0.093 0.000 1.087 337 H CA -0.521 55.494 56.048 -0.055 0.000 1.337 337 H CB 0.908 30.660 29.762 -0.016 0.000 1.440 337 H HN -0.160 nan 8.280 nan 0.000 0.490 338 V N 5.852 125.355 119.914 -0.686 0.000 2.408 338 V HA 0.121 4.241 4.120 -0.001 0.000 0.267 338 V C -0.032 175.636 176.094 -0.709 0.000 1.047 338 V CA -0.190 61.732 62.300 -0.631 0.000 0.937 338 V CB 0.713 32.102 31.823 -0.725 0.000 0.999 338 V HN 0.823 nan 8.190 nan 0.000 0.472 339 D N 4.345 124.504 120.400 -0.401 0.000 2.440 339 D HA 0.332 4.972 4.640 -0.001 0.000 0.252 339 D C 0.464 176.804 176.300 0.066 0.000 1.180 339 D CA -0.580 53.313 54.000 -0.179 0.000 0.894 339 D CB 0.924 41.709 40.800 -0.024 0.000 1.111 339 D HN 0.227 nan 8.370 nan 0.000 0.544 340 F N 1.267 121.250 119.950 0.055 0.000 2.494 340 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 340 F C 2.085 177.914 175.800 0.048 0.000 1.106 340 F CA 0.478 58.516 58.000 0.065 0.000 1.452 340 F CB -0.450 38.608 39.000 0.096 0.000 1.085 340 F HN 0.273 nan 8.300 nan 0.000 0.569 341 S N -1.029 114.798 115.700 0.211 0.000 2.572 341 S HA 0.098 4.568 4.470 -0.001 0.000 0.228 341 S C 0.816 175.476 174.600 0.101 0.000 0.963 341 S CA -0.536 57.746 58.200 0.136 0.000 0.939 341 S CB -0.156 63.108 63.200 0.106 0.000 0.804 341 S HN 0.153 nan 8.310 nan 0.000 0.480 342 R N 1.940 122.501 120.500 0.102 0.000 2.504 342 R HA -0.036 4.304 4.340 -0.001 0.000 0.291 342 R C 1.510 177.849 176.300 0.066 0.000 0.974 342 R CA 0.162 56.307 56.100 0.075 0.000 1.077 342 R CB 0.286 30.625 30.300 0.065 0.000 0.926 342 R HN 0.107 nan 8.270 nan 0.000 0.407 343 Q N 3.541 123.373 119.800 0.052 0.000 2.124 343 Q HA -0.140 4.200 4.340 -0.001 0.000 0.202 343 Q C -0.192 175.831 176.000 0.039 0.000 0.977 343 Q CA 1.777 57.606 55.803 0.044 0.000 0.850 343 Q CB 0.178 28.937 28.738 0.035 0.000 0.901 343 Q HN 0.491 nan 8.270 nan 0.000 0.429 344 K N -0.145 120.276 120.400 0.035 0.000 2.664 344 K HA 0.308 4.627 4.320 -0.001 0.000 0.234 344 K C -1.588 175.029 176.600 0.029 0.000 0.980 344 K CA -0.430 55.873 56.287 0.027 0.000 0.996 344 K CB 1.263 33.772 32.500 0.015 0.000 1.190 344 K HN -0.097 nan 8.250 nan 0.000 0.479 345 V N 3.149 123.089 119.914 0.043 0.000 2.352 345 V HA 0.071 4.191 4.120 -0.001 0.000 0.253 345 V C 0.314 176.433 176.094 0.041 0.000 1.083 345 V CA -0.229 62.111 62.300 0.067 0.000 0.993 345 V CB 0.579 32.473 31.823 0.118 0.000 1.111 345 V HN 0.675 nan 8.190 nan 0.000 0.490 346 S N 5.058 120.766 115.700 0.012 0.000 2.475 346 S HA 0.649 5.118 4.470 -0.001 0.000 0.281 346 S C -0.472 174.131 174.600 0.004 0.000 1.198 346 S CA -0.374 57.799 58.200 -0.044 0.000 1.063 346 S CB 0.118 63.295 63.200 -0.038 0.000 0.972 346 S HN 1.104 nan 8.310 nan 0.000 0.486 347 H N 0.073 119.112 119.070 -0.052 0.000 2.950 347 H HA 0.481 5.037 4.556 -0.001 0.000 0.307 347 H C -0.574 174.713 175.328 -0.069 0.000 1.403 347 H CA -0.372 55.626 56.048 -0.083 0.000 1.145 347 H CB 0.643 30.337 29.762 -0.114 0.000 1.844 347 H HN 0.311 nan 8.280 nan 0.000 0.515 348 T N -2.254 112.390 114.554 0.150 0.000 3.487 348 T HA 0.184 4.533 4.350 -0.001 0.000 0.287 348 T C 0.419 175.168 174.700 0.082 0.000 1.004 348 T CA 0.120 62.280 62.100 0.100 0.000 0.977 348 T CB -0.419 68.459 68.868 0.016 0.000 1.180 348 T HN 0.615 nan 8.240 nan 0.000 0.490 349 T N 1.361 115.996 114.554 0.135 0.000 2.759 349 T HA 0.013 4.363 4.350 -0.001 0.000 0.269 349 T C 0.468 174.930 174.700 -0.396 0.000 1.042 349 T CA 1.331 63.225 62.100 -0.343 0.000 1.140 349 T CB -0.391 67.966 68.868 -0.852 0.000 0.864 349 T HN 0.507 nan 8.240 nan 0.000 0.455 350 F N 1.189 121.141 119.950 0.005 0.000 2.645 350 F HA 0.469 4.996 4.527 -0.000 0.000 0.300 350 F C 1.598 177.363 175.800 -0.059 0.000 1.115 350 F CA -0.285 57.686 58.000 -0.047 0.000 1.355 350 F CB -0.548 38.425 39.000 -0.046 0.000 1.026 350 F HN 0.291 nan 8.300 nan 0.000 0.536 351 G N 0.010 108.834 108.800 0.041 0.000 2.698 351 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.225 351 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.225 351 G C -1.419 173.492 174.900 0.018 0.000 1.345 351 G CA -0.579 44.464 45.100 -0.094 0.000 0.871 351 G HN 0.530 nan 8.290 nan 0.000 0.540 352 H N -1.126 117.809 119.070 -0.225 0.000 3.037 352 H HA 0.689 5.244 4.556 -0.001 0.000 0.336 352 H C 0.547 175.884 175.328 0.015 0.000 1.323 352 H CA 1.850 57.870 56.048 -0.046 0.000 1.159 352 H CB 1.343 31.140 29.762 0.057 0.000 1.882 352 H HN 2.685 nan 8.280 nan 0.000 0.535 353 G N 0.669 109.234 108.800 -0.392 0.000 2.615 353 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.218 353 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.218 353 G C 1.146 176.011 174.900 -0.058 0.000 1.339 353 G CA 0.588 45.620 45.100 -0.112 0.000 0.884 353 G HN 1.393 nan 8.290 nan 0.000 0.559 354 S N -1.204 114.492 115.700 -0.007 0.000 2.419 354 S HA -0.143 4.326 4.470 -0.001 0.000 0.235 354 S C 1.461 175.904 174.600 -0.261 0.000 1.019 354 S CA 2.084 60.193 58.200 -0.151 0.000 0.982 354 S CB -0.326 62.722 63.200 -0.254 0.000 0.789 354 S HN 0.769 nan 8.310 nan 0.000 0.490 355 H N 0.533 119.605 119.070 0.002 0.000 2.526 355 H HA 0.340 4.895 4.556 -0.001 0.000 0.274 355 H C 0.571 175.882 175.328 -0.029 0.000 0.999 355 H CA -0.350 55.698 56.048 0.000 0.000 1.157 355 H CB -0.226 29.550 29.762 0.023 0.000 1.407 355 H HN 0.351 nan 8.280 nan 0.000 0.568 356 L N 1.687 122.919 121.223 0.016 0.000 2.628 356 L HA -0.113 4.227 4.340 -0.001 0.000 0.292 356 L C 0.429 177.301 176.870 0.004 0.000 1.250 356 L CA 0.023 54.863 54.840 0.001 0.000 0.892 356 L CB 0.084 42.127 42.059 -0.026 0.000 1.138 356 L HN 0.228 nan 8.230 nan 0.000 0.502 357 C N 8.661 127.971 119.300 0.017 0.000 2.517 357 C HA 0.134 4.594 4.460 -0.001 0.000 0.403 357 C C -0.620 174.281 174.990 -0.149 0.000 1.467 357 C CA -0.517 58.483 59.018 -0.031 0.000 1.542 357 C CB -0.419 27.335 27.740 0.022 0.000 2.482 357 C HN 0.883 nan 8.230 nan 0.000 0.610 358 P HA 0.123 nan 4.420 nan 0.000 0.234 358 P C 1.065 178.283 177.300 -0.137 0.000 1.175 358 P CA 1.206 64.251 63.100 -0.092 0.000 0.801 358 P CB 0.104 31.795 31.700 -0.014 0.000 0.891 359 G N 1.023 109.734 108.800 -0.149 0.000 3.141 359 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.218 359 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.218 359 G C 1.473 176.197 174.900 -0.294 0.000 1.170 359 G CA 0.039 45.056 45.100 -0.139 0.000 0.769 359 G HN 0.406 nan 8.290 nan 0.000 0.546 360 Q N -0.224 119.205 119.800 -0.618 0.000 2.226 360 Q HA -0.166 4.173 4.340 -0.001 0.000 0.204 360 Q C 1.724 177.267 176.000 -0.761 0.000 0.975 360 Q CA 1.181 56.297 55.803 -1.145 0.000 0.866 360 Q CB -0.474 27.102 28.738 -1.936 0.000 0.915 360 Q HN 0.461 nan 8.270 nan 0.000 0.440 361 H N 0.482 119.376 119.070 -0.293 0.000 2.395 361 H HA -0.047 4.509 4.556 -0.001 0.000 0.299 361 H C 2.148 177.422 175.328 -0.089 0.000 1.070 361 H CA 1.294 57.248 56.048 -0.157 0.000 1.356 361 H CB -0.137 29.560 29.762 -0.108 0.000 1.401 361 H HN 0.270 nan 8.280 nan 0.000 0.524 362 L N 1.228 122.453 121.223 0.003 0.000 2.046 362 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 362 L C 2.507 179.384 176.870 0.012 0.000 1.077 362 L CA 1.735 56.584 54.840 0.014 0.000 0.747 362 L CB -0.866 41.197 42.059 0.006 0.000 0.896 362 L HN 0.162 nan 8.230 nan 0.000 0.432 363 A N -0.235 122.570 122.820 -0.024 0.000 1.865 363 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 363 A C 2.439 180.084 177.584 0.101 0.000 1.191 363 A CA 1.887 53.954 52.037 0.050 0.000 0.623 363 A CB -0.607 18.451 19.000 0.096 0.000 0.826 363 A HN 0.494 nan 8.150 nan 0.000 0.444 364 R N -1.315 119.224 120.500 0.064 0.000 2.091 364 R HA -0.159 4.181 4.340 -0.001 0.000 0.238 364 R C 2.477 178.856 176.300 0.132 0.000 1.136 364 R CA 1.663 57.829 56.100 0.110 0.000 0.959 364 R CB -0.299 30.053 30.300 0.087 0.000 0.856 364 R HN 0.420 nan 8.270 nan 0.000 0.437 365 R N 1.430 121.999 120.500 0.114 0.000 2.083 365 R HA -0.135 4.205 4.340 -0.001 0.000 0.237 365 R C 1.826 178.245 176.300 0.197 0.000 1.137 365 R CA 1.794 57.972 56.100 0.131 0.000 0.951 365 R CB -0.225 30.136 30.300 0.100 0.000 0.851 365 R HN 0.306 nan 8.270 nan 0.000 0.434 366 E N -0.444 119.881 120.200 0.208 0.000 2.110 366 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 366 E C 2.023 178.911 176.600 0.480 0.000 0.988 366 E CA 1.554 58.173 56.400 0.366 0.000 0.804 366 E CB -0.175 29.621 29.700 0.159 0.000 0.745 366 E HN 0.373 nan 8.360 nan 0.000 0.458 367 I N 0.847 121.626 120.570 0.347 0.000 2.163 367 I HA -0.260 3.910 4.170 -0.001 0.000 0.240 367 I C 2.374 178.644 176.117 0.255 0.000 1.081 367 I CA 1.043 62.550 61.300 0.346 0.000 1.353 367 I CB -0.203 38.004 38.000 0.345 0.000 1.054 367 I HN 0.076 nan 8.210 nan 0.000 0.407 368 I N 0.025 120.716 120.570 0.201 0.000 2.226 368 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 368 I C 2.522 178.724 176.117 0.142 0.000 1.100 368 I CA 1.145 62.530 61.300 0.143 0.000 1.374 368 I CB -0.323 37.746 38.000 0.114 0.000 1.057 368 I HN 0.031 nan 8.210 nan 0.000 0.413 369 V N 0.422 120.446 119.914 0.184 0.000 2.343 369 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 369 V C 2.494 178.666 176.094 0.130 0.000 1.051 369 V CA 2.398 64.799 62.300 0.169 0.000 1.036 369 V CB -0.796 31.174 31.823 0.245 0.000 0.654 369 V HN 0.469 nan 8.190 nan 0.000 0.451 370 T N 0.356 115.009 114.554 0.165 0.000 2.708 370 T HA -0.123 4.227 4.350 -0.001 0.000 0.266 370 T C 1.869 176.615 174.700 0.076 0.000 1.037 370 T CA 1.531 63.686 62.100 0.093 0.000 1.146 370 T CB -0.265 68.732 68.868 0.214 0.000 0.865 370 T HN 0.298 nan 8.240 nan 0.000 0.435 371 L N 0.501 121.780 121.223 0.093 0.000 2.046 371 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 371 L C 2.647 179.570 176.870 0.088 0.000 1.077 371 L CA 1.208 56.093 54.840 0.075 0.000 0.747 371 L CB -0.441 41.656 42.059 0.063 0.000 0.896 371 L HN 0.162 nan 8.230 nan 0.000 0.432 372 K N 0.246 120.691 120.400 0.075 0.000 2.057 372 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 372 K C 2.008 178.636 176.600 0.046 0.000 1.050 372 K CA 1.304 57.627 56.287 0.059 0.000 0.935 372 K CB -0.008 32.524 32.500 0.053 0.000 0.715 372 K HN 0.116 nan 8.250 nan 0.000 0.439 373 E N -0.548 119.674 120.200 0.038 0.000 2.158 373 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 373 E C 1.754 178.323 176.600 -0.051 0.000 0.982 373 E CA 0.568 56.962 56.400 -0.009 0.000 0.823 373 E CB -0.360 29.330 29.700 -0.017 0.000 0.766 373 E HN 0.472 nan 8.360 nan 0.000 0.468 374 W N 1.404 122.583 121.300 -0.201 0.000 2.407 374 W HA -0.030 4.629 4.660 -0.001 0.000 0.305 374 W C 1.726 178.115 176.519 -0.216 0.000 1.196 374 W CA 0.759 57.925 57.345 -0.300 0.000 1.311 374 W CB -0.295 28.922 29.460 -0.406 0.000 1.135 374 W HN 0.006 nan 8.180 nan 0.000 0.514 375 L N 0.865 122.210 121.223 0.202 0.000 2.201 375 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 375 L C 2.582 179.478 176.870 0.043 0.000 1.105 375 L CA 1.888 56.835 54.840 0.178 0.000 0.775 375 L CB -1.070 41.094 42.059 0.176 0.000 0.913 375 L HN -0.019 nan 8.230 nan 0.000 0.440 376 T N -3.334 111.214 114.554 -0.010 0.000 2.985 376 T HA -0.079 4.271 4.350 -0.001 0.000 0.266 376 T C 1.954 176.598 174.700 -0.093 0.000 1.076 376 T CA 0.517 62.596 62.100 -0.035 0.000 1.135 376 T CB -0.018 68.833 68.868 -0.028 0.000 0.890 376 T HN 0.300 nan 8.240 nan 0.000 0.480 377 R N 0.320 120.708 120.500 -0.187 0.000 2.146 377 R HA 0.430 4.770 4.340 -0.001 0.000 0.206 377 R C 0.548 176.628 176.300 -0.366 0.000 1.049 377 R CA 0.495 56.432 56.100 -0.272 0.000 1.029 377 R CB 0.344 30.429 30.300 -0.358 0.000 0.949 377 R HN 0.374 nan 8.270 nan 0.000 0.471 378 I N 2.735 123.002 120.570 -0.505 0.000 2.833 378 I HA 0.174 4.344 4.170 -0.001 0.000 0.286 378 I C -1.872 174.210 176.117 -0.058 0.000 1.287 378 I CA -1.623 59.354 61.300 -0.538 0.000 1.046 378 I CB 1.851 39.074 38.000 -1.294 0.000 1.612 378 I HN -0.090 nan 8.210 nan 0.000 0.585 379 P HA -0.133 nan 4.420 nan 0.000 0.217 379 P C 0.241 177.665 177.300 0.206 0.000 1.150 379 P CA 1.342 64.533 63.100 0.152 0.000 0.832 379 P CB 0.305 32.044 31.700 0.064 0.000 0.787 380 D N -0.531 119.983 120.400 0.189 0.000 2.344 380 D HA 0.467 5.107 4.640 -0.001 0.000 0.239 380 D C -0.816 175.680 176.300 0.327 0.000 1.064 380 D CA -0.758 53.325 54.000 0.139 0.000 0.829 380 D CB 0.563 41.417 40.800 0.090 0.000 1.129 380 D HN -0.020 nan 8.370 nan 0.000 0.506 381 F N 0.883 120.920 119.950 0.146 0.000 2.713 381 F HA 0.758 5.284 4.527 -0.001 0.000 0.311 381 F C -1.152 174.734 175.800 0.143 0.000 1.141 381 F CA -0.973 57.174 58.000 0.245 0.000 0.939 381 F CB 0.913 40.111 39.000 0.330 0.000 1.325 381 F HN 0.242 nan 8.300 nan 0.000 0.453 382 S N 0.914 116.794 115.700 0.301 0.000 2.643 382 S HA 0.687 5.156 4.470 -0.001 0.000 0.270 382 S C -1.406 173.297 174.600 0.171 0.000 1.166 382 S CA -1.089 57.173 58.200 0.105 0.000 0.815 382 S CB 1.415 64.629 63.200 0.022 0.000 1.139 382 S HN 0.770 nan 8.310 nan 0.000 0.472 383 I N 1.835 122.452 120.570 0.079 0.000 2.692 383 I HA 0.321 4.491 4.170 -0.001 0.000 0.284 383 I C 1.273 177.429 176.117 0.066 0.000 1.159 383 I CA -0.108 61.236 61.300 0.073 0.000 1.423 383 I CB 0.259 38.276 38.000 0.029 0.000 1.380 383 I HN 0.995 nan 8.210 nan 0.000 0.580 384 A N 8.520 131.379 122.820 0.065 0.000 2.546 384 A HA 0.279 4.599 4.320 -0.001 0.000 0.243 384 A C -2.096 175.503 177.584 0.025 0.000 1.063 384 A CA -0.737 51.324 52.037 0.040 0.000 0.757 384 A CB -0.892 18.127 19.000 0.032 0.000 0.991 384 A HN 0.503 nan 8.150 nan 0.000 0.503 385 P HA 0.213 nan 4.420 nan 0.000 0.265 385 P C 1.158 178.463 177.300 0.008 0.000 1.187 385 P CA 1.822 64.928 63.100 0.010 0.000 0.766 385 P CB 0.549 32.252 31.700 0.005 0.000 0.820 386 G N 1.494 110.298 108.800 0.007 0.000 2.184 386 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.264 386 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.264 386 G C 0.448 175.354 174.900 0.009 0.000 0.975 386 G CA 0.103 45.207 45.100 0.007 0.000 0.642 386 G HN 0.870 nan 8.290 nan 0.000 0.536 387 A N -0.157 122.671 122.820 0.013 0.000 2.363 387 A HA 0.697 5.017 4.320 -0.001 0.000 0.270 387 A C 0.396 177.989 177.584 0.014 0.000 1.121 387 A CA 0.592 52.639 52.037 0.017 0.000 0.800 387 A CB 0.676 19.692 19.000 0.025 0.000 1.052 387 A HN 0.630 nan 8.150 nan 0.000 0.493 388 Q N 2.941 122.749 119.800 0.014 0.000 2.401 388 Q HA 0.368 4.707 4.340 -0.001 0.000 0.260 388 Q C -0.988 175.018 176.000 0.010 0.000 1.034 388 Q CA -0.728 55.079 55.803 0.008 0.000 0.737 388 Q CB 0.549 29.290 28.738 0.005 0.000 1.227 388 Q HN 0.685 nan 8.270 nan 0.000 0.488 389 I N 4.306 124.882 120.570 0.010 0.000 2.598 389 I HA -0.054 4.115 4.170 -0.001 0.000 0.284 389 I C 0.456 176.569 176.117 -0.006 0.000 1.140 389 I CA 0.638 61.952 61.300 0.024 0.000 1.420 389 I CB 0.169 38.196 38.000 0.044 0.000 1.387 389 I HN 0.665 nan 8.210 nan 0.000 0.553 390 Q N 6.107 125.933 119.800 0.043 0.000 2.345 390 Q HA 0.554 4.894 4.340 -0.001 0.000 0.268 390 Q C -1.233 174.888 176.000 0.201 0.000 1.054 390 Q CA -0.840 54.986 55.803 0.038 0.000 0.835 390 Q CB 2.256 31.021 28.738 0.046 0.000 1.339 390 Q HN 0.630 nan 8.270 nan 0.000 0.447 391 H N 0.239 119.376 119.070 0.111 0.000 2.570 391 H HA 0.539 5.095 4.556 -0.000 0.000 0.342 391 H C -0.764 174.648 175.328 0.140 0.000 1.245 391 H CA -1.248 54.891 56.048 0.150 0.000 1.318 391 H CB 1.769 31.703 29.762 0.288 0.000 1.694 391 H HN 0.603 nan 8.280 nan 0.000 0.592 392 K N 0.276 120.850 120.400 0.289 0.000 2.468 392 K HA 0.520 4.839 4.320 -0.001 0.000 0.252 392 K C -1.196 175.552 176.600 0.247 0.000 0.932 392 K CA -0.873 55.542 56.287 0.213 0.000 0.794 392 K CB 2.572 35.158 32.500 0.143 0.000 1.241 392 K HN 0.355 nan 8.250 nan 0.000 0.428 393 S N 0.789 116.636 115.700 0.244 0.000 2.578 393 S HA 0.901 5.371 4.470 -0.001 0.000 0.301 393 S C -0.345 174.381 174.600 0.210 0.000 1.091 393 S CA 0.225 58.598 58.200 0.287 0.000 1.032 393 S CB 1.366 64.783 63.200 0.363 0.000 1.064 393 S HN 0.990 nan 8.310 nan 0.000 0.508 394 G N 2.392 111.274 108.800 0.136 0.000 2.364 394 G HA2 0.219 4.179 3.960 -0.001 0.000 0.286 394 G HA3 0.219 4.179 3.960 -0.001 0.000 0.286 394 G C 0.192 175.009 174.900 -0.137 0.000 1.241 394 G CA -0.393 44.672 45.100 -0.059 0.000 0.887 394 G HN 0.541 nan 8.290 nan 0.000 0.484 395 I N -0.066 120.404 120.570 -0.167 0.000 2.264 395 I HA 0.008 4.178 4.170 -0.001 0.000 0.248 395 I C 0.865 176.878 176.117 -0.174 0.000 1.111 395 I CA 1.520 62.651 61.300 -0.282 0.000 1.382 395 I CB -0.728 36.995 38.000 -0.463 0.000 1.060 395 I HN 0.042 nan 8.210 nan 0.000 0.418 396 V N 0.618 120.494 119.914 -0.063 0.000 2.577 396 V HA 0.296 4.415 4.120 -0.001 0.000 0.303 396 V C 0.029 176.147 176.094 0.039 0.000 1.042 396 V CA -0.572 61.715 62.300 -0.022 0.000 0.872 396 V CB 1.960 33.798 31.823 0.026 0.000 0.998 396 V HN 0.081 nan 8.190 nan 0.000 0.423 397 S N 2.325 118.059 115.700 0.057 0.000 2.672 397 S HA 0.907 5.376 4.470 -0.001 0.000 0.276 397 S C 0.408 175.177 174.600 0.281 0.000 1.207 397 S CA 0.050 58.354 58.200 0.172 0.000 1.002 397 S CB 1.828 65.122 63.200 0.157 0.000 0.998 397 S HN 1.149 nan 8.310 nan 0.000 0.542 398 G N -0.352 108.572 108.800 0.206 0.000 2.782 398 G HA2 0.581 4.541 3.960 -0.001 0.000 0.304 398 G HA3 0.581 4.541 3.960 -0.001 0.000 0.304 398 G C -1.836 172.824 174.900 -0.400 0.000 1.315 398 G CA -0.496 44.509 45.100 -0.157 0.000 0.791 398 G HN 0.614 nan 8.290 nan 0.000 0.519 399 V N 0.756 120.354 119.914 -0.526 0.000 2.409 399 V HA 0.283 4.403 4.120 -0.001 0.000 0.291 399 V C 1.081 177.121 176.094 -0.091 0.000 1.020 399 V CA -0.340 61.772 62.300 -0.312 0.000 0.848 399 V CB 1.376 32.935 31.823 -0.440 0.000 0.990 399 V HN 0.773 nan 8.190 nan 0.000 0.430 400 Q N 3.794 123.606 119.800 0.021 0.000 2.050 400 Q HA 0.101 4.441 4.340 -0.001 0.000 0.202 400 Q C 0.595 176.612 176.000 0.028 0.000 0.980 400 Q CA 1.776 57.599 55.803 0.033 0.000 0.840 400 Q CB 0.148 28.921 28.738 0.059 0.000 0.898 400 Q HN 0.993 nan 8.270 nan 0.000 0.424 401 A N -0.919 121.923 122.820 0.037 0.000 2.589 401 A HA 0.594 4.913 4.320 -0.001 0.000 0.296 401 A C -1.970 175.647 177.584 0.056 0.000 1.062 401 A CA -0.622 51.443 52.037 0.047 0.000 0.686 401 A CB 1.313 20.342 19.000 0.048 0.000 1.282 401 A HN 0.138 nan 8.150 nan 0.000 0.404 402 L N 2.850 124.123 121.223 0.083 0.000 2.489 402 L HA 0.472 4.812 4.340 -0.001 0.000 0.257 402 L C -2.659 174.288 176.870 0.128 0.000 1.215 402 L CA -1.443 53.450 54.840 0.088 0.000 0.915 402 L CB 1.821 43.927 42.059 0.077 0.000 1.146 402 L HN 0.459 nan 8.230 nan 0.000 0.494 403 P HA 0.243 nan 4.420 nan 0.000 0.281 403 P C -0.874 176.505 177.300 0.132 0.000 1.286 403 P CA 0.014 63.179 63.100 0.109 0.000 0.772 403 P CB 1.029 32.770 31.700 0.067 0.000 0.862 404 L N 4.060 125.404 121.223 0.202 0.000 2.322 404 L HA 0.739 5.079 4.340 -0.001 0.000 0.269 404 L C 0.492 177.501 176.870 0.232 0.000 1.012 404 L CA -1.191 53.828 54.840 0.298 0.000 0.815 404 L CB 2.126 44.464 42.059 0.464 0.000 1.295 404 L HN 0.229 nan 8.230 nan 0.000 0.438 405 V N -1.498 118.594 119.914 0.296 0.000 3.087 405 V HA 0.778 4.898 4.120 -0.001 0.000 0.306 405 V C -1.699 174.609 176.094 0.357 0.000 1.187 405 V CA -0.634 61.697 62.300 0.051 0.000 0.999 405 V CB 1.707 33.518 31.823 -0.021 0.000 1.049 405 V HN 0.989 nan 8.190 nan 0.000 0.431 406 W N 0.610 121.986 121.300 0.127 0.000 2.989 406 W HA 0.785 5.445 4.660 -0.001 0.000 0.344 406 W C -1.819 174.740 176.519 0.067 0.000 1.233 406 W CA -0.640 56.779 57.345 0.123 0.000 1.187 406 W CB 0.940 30.501 29.460 0.168 0.000 1.443 406 W HN 0.679 nan 8.180 nan 0.000 0.573 407 D N 1.518 122.101 120.400 0.306 0.000 2.359 407 D HA 0.395 5.034 4.640 -0.001 0.000 0.230 407 D C -1.571 174.883 176.300 0.257 0.000 1.118 407 D CA -2.557 51.544 54.000 0.168 0.000 0.844 407 D CB 2.021 42.891 40.800 0.117 0.000 1.059 407 D HN 0.025 nan 8.370 nan 0.000 0.493 408 P HA -0.145 nan 4.420 nan 0.000 0.218 408 P C 0.903 178.280 177.300 0.129 0.000 1.146 408 P CA 1.293 64.521 63.100 0.214 0.000 0.813 408 P CB 0.246 32.016 31.700 0.116 0.000 0.778 409 A N -0.643 122.233 122.820 0.094 0.000 2.015 409 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 409 A C 2.063 179.684 177.584 0.061 0.000 1.163 409 A CA 2.100 54.174 52.037 0.062 0.000 0.646 409 A CB -1.659 17.369 19.000 0.047 0.000 0.806 409 A HN 0.350 nan 8.150 nan 0.000 0.448 410 T N -2.349 112.257 114.554 0.086 0.000 3.107 410 T HA 0.156 4.506 4.350 -0.001 0.000 0.249 410 T C 0.830 175.558 174.700 0.047 0.000 1.096 410 T CA 0.692 62.834 62.100 0.069 0.000 1.012 410 T CB -0.898 68.024 68.868 0.089 0.000 0.977 410 T HN 0.514 nan 8.240 nan 0.000 0.527 411 T N 0.316 114.897 114.554 0.044 0.000 2.902 411 T HA 0.612 4.962 4.350 -0.001 0.000 0.280 411 T C -0.595 174.086 174.700 -0.032 0.000 0.992 411 T CA -0.895 61.189 62.100 -0.026 0.000 1.015 411 T CB 1.218 70.060 68.868 -0.044 0.000 1.044 411 T HN -0.029 nan 8.240 nan 0.000 0.520 412 K N 1.001 121.359 120.400 -0.071 0.000 2.463 412 K HA 0.614 4.934 4.320 -0.001 0.000 0.255 412 K C -0.705 175.852 176.600 -0.071 0.000 0.942 412 K CA -0.632 55.623 56.287 -0.054 0.000 0.814 412 K CB 2.030 34.502 32.500 -0.046 0.000 1.122 412 K HN 0.881 nan 8.250 nan 0.000 0.425 413 A N 3.395 126.186 122.820 -0.049 0.000 2.347 413 A HA 0.451 4.771 4.320 -0.001 0.000 0.287 413 A C 0.290 177.848 177.584 -0.044 0.000 1.199 413 A CA -0.395 51.611 52.037 -0.050 0.000 0.851 413 A CB 0.112 19.094 19.000 -0.031 0.000 1.118 413 A HN 0.400 nan 8.150 nan 0.000 0.525 414 V N 0.000 119.882 119.914 -0.053 0.000 2.409 414 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 414 V CA 0.000 62.277 62.300 -0.039 0.000 1.235 414 V CB 0.000 31.796 31.823 -0.046 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556