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 3fwg_1_A DATA FIRST_RESID 11 DATA SEQUENCE LAPLPPHVPE HLVFDFDMYN PSNLSAGVQE AWAVLQESNV PDLVWTRCNG DATA SEQUENCE GHWIATRGQL IREAYEDYRH FSSECPFIPR EAGEAYDFIP TSMDPPEQRQ DATA SEQUENCE FRALANQVVG MPVVDKLENR IQELACSLIE SLRPQGQCNF TEDYAEPFPI DATA SEQUENCE RIFMLLAGLP EEDIPHLKYL TDQMTRPDGS MTFAEAKEAL YDYLIPIIEQ DATA SEQUENCE RRQKPGTDAI SIVANGQVNG RPITSDEAKR MCGLLLVGGL DTVVNFLSFS DATA SEQUENCE MEFLAKSPEH RQELIQRPER IPAACEELLR RFSLVADGRI LTSDYEFHGV DATA SEQUENCE QLKKGDQILL PQMLSGLDER ENACPMHVDF SRQKVSHTTF GHGSHLCLGQ DATA SEQUENCE HLARLQIIVT LKEWLTRIPD FSIAPGAQIQ HKSGIVSGVQ ALPLVWDPAT DATA SEQUENCE TKAV 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.877 176.870 0.011 0.000 1.165 11 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 11 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 12 A N 4.219 127.056 122.820 0.028 0.000 2.409 12 A HA 0.738 5.061 4.320 0.005 0.000 0.262 12 A C -2.182 175.444 177.584 0.070 0.000 1.113 12 A CA -1.012 51.059 52.037 0.056 0.000 0.790 12 A CB -0.177 18.872 19.000 0.082 0.000 1.046 12 A HN 0.470 nan 8.150 nan 0.000 0.496 13 P HA 0.038 nan 4.420 nan 0.000 0.261 13 P C -0.264 177.048 177.300 0.019 0.000 1.173 13 P CA -0.064 63.051 63.100 0.025 0.000 0.760 13 P CB 0.213 31.922 31.700 0.015 0.000 0.783 14 L N 7.473 128.680 121.223 -0.027 0.000 2.534 14 L HA 0.177 4.520 4.340 0.005 0.000 0.271 14 L C -2.032 174.707 176.870 -0.219 0.000 1.178 14 L CA -1.286 53.470 54.840 -0.141 0.000 0.907 14 L CB -0.718 41.244 42.059 -0.162 0.000 1.164 14 L HN 0.316 nan 8.230 nan 0.000 0.482 15 P HA 0.178 nan 4.420 nan 0.000 0.268 15 P C -2.181 174.922 177.300 -0.327 0.000 1.205 15 P CA -1.044 61.868 63.100 -0.313 0.000 0.771 15 P CB 0.171 31.604 31.700 -0.446 0.000 0.858 16 P HA -0.199 nan 4.420 nan 0.000 0.219 16 P C 1.239 178.497 177.300 -0.071 0.000 1.146 16 P CA 1.408 64.462 63.100 -0.077 0.000 0.808 16 P CB -0.414 31.285 31.700 -0.002 0.000 0.779 17 H N -1.730 117.268 119.070 -0.121 0.000 2.529 17 H HA 0.071 4.630 4.556 0.005 0.000 0.277 17 H C 0.055 175.336 175.328 -0.079 0.000 0.999 17 H CA 0.396 56.403 56.048 -0.069 0.000 1.256 17 H CB -0.754 28.996 29.762 -0.020 0.000 1.402 17 H HN -0.077 nan 8.280 nan 0.000 0.566 18 V N 5.651 125.155 119.914 -0.683 0.000 2.385 18 V HA 0.195 4.318 4.120 0.005 0.000 0.269 18 V C -1.979 173.923 176.094 -0.320 0.000 1.043 18 V CA -1.598 60.342 62.300 -0.600 0.000 0.906 18 V CB 1.277 32.337 31.823 -1.271 0.000 0.995 18 V HN 0.252 nan 8.190 nan 0.000 0.467 19 P HA 0.206 nan 4.420 nan 0.000 0.271 19 P C 0.424 177.659 177.300 -0.108 0.000 1.216 19 P CA -0.218 62.846 63.100 -0.059 0.000 0.776 19 P CB 1.287 33.029 31.700 0.070 0.000 0.881 20 E N 0.959 121.145 120.200 -0.024 0.000 2.219 20 E HA -0.244 4.109 4.350 0.005 0.000 0.198 20 E C 1.780 178.396 176.600 0.028 0.000 0.998 20 E CA 1.397 57.789 56.400 -0.013 0.000 0.818 20 E CB -0.571 29.138 29.700 0.015 0.000 0.741 20 E HN 0.630 nan 8.360 nan 0.000 0.477 21 H N -0.227 118.858 119.070 0.024 0.000 2.546 21 H HA 0.010 4.569 4.556 0.005 0.000 0.277 21 H C 1.307 176.686 175.328 0.086 0.000 1.004 21 H CA 0.705 56.781 56.048 0.047 0.000 1.231 21 H CB -0.079 29.706 29.762 0.038 0.000 1.382 21 H HN 0.220 nan 8.280 nan 0.000 0.580 22 L N 1.548 122.582 121.223 -0.316 0.000 2.700 22 L HA 0.205 4.548 4.340 0.005 0.000 0.234 22 L C 0.030 176.950 176.870 0.083 0.000 1.156 22 L CA -0.294 54.478 54.840 -0.114 0.000 0.946 22 L CB 0.838 42.849 42.059 -0.080 0.000 1.216 22 L HN -0.022 nan 8.230 nan 0.000 0.493 23 V N 0.807 120.762 119.914 0.070 0.000 2.432 23 V HA 0.132 4.256 4.120 0.005 0.000 0.271 23 V C -0.631 175.562 176.094 0.166 0.000 1.046 23 V CA -0.008 62.365 62.300 0.122 0.000 0.945 23 V CB 1.047 32.907 31.823 0.062 0.000 0.992 23 V HN 0.068 nan 8.190 nan 0.000 0.471 24 F N 3.919 123.880 119.950 0.018 0.000 2.659 24 F HA 0.455 4.985 4.527 0.005 0.000 0.342 24 F C 0.231 176.020 175.800 -0.019 0.000 1.168 24 F CA -0.882 57.121 58.000 0.005 0.000 1.003 24 F CB 1.538 40.541 39.000 0.005 0.000 1.267 24 F HN 0.477 nan 8.300 nan 0.000 0.463 25 D N 6.497 126.814 120.400 -0.139 0.000 2.934 25 D HA -0.001 4.642 4.640 0.005 0.000 0.237 25 D C -0.229 176.051 176.300 -0.034 0.000 1.158 25 D CA 0.343 54.288 54.000 -0.090 0.000 0.971 25 D CB -0.453 40.264 40.800 -0.138 0.000 1.123 25 D HN 0.278 nan 8.370 nan 0.000 0.467 26 F N 1.697 121.654 119.950 0.012 0.000 2.495 26 F HA 0.088 4.618 4.527 0.005 0.000 0.365 26 F C 0.534 176.242 175.800 -0.152 0.000 1.090 26 F CA -0.511 57.478 58.000 -0.019 0.000 1.235 26 F CB 0.740 39.752 39.000 0.021 0.000 1.119 26 F HN -0.141 nan 8.300 nan 0.000 0.562 27 D N 7.260 127.167 120.400 -0.822 0.000 2.454 27 D HA 0.104 4.748 4.640 0.005 0.000 0.225 27 D C 0.897 176.688 176.300 -0.847 0.000 1.081 27 D CA -0.471 53.186 54.000 -0.572 0.000 0.864 27 D CB 0.904 41.503 40.800 -0.335 0.000 1.040 27 D HN 0.725 nan 8.370 nan 0.000 0.517 28 M N 2.033 121.315 119.600 -0.530 0.000 2.446 28 M HA -0.093 4.390 4.480 0.005 0.000 0.263 28 M C 0.198 176.299 176.300 -0.332 0.000 1.066 28 M CA 1.258 56.282 55.300 -0.459 0.000 1.087 28 M CB -0.176 32.321 32.600 -0.173 0.000 1.406 28 M HN 0.194 nan 8.290 nan 0.000 0.459 29 Y N 0.144 120.397 120.300 -0.078 0.000 2.462 29 Y HA 0.289 4.842 4.550 0.005 0.000 0.261 29 Y C 0.358 176.235 175.900 -0.038 0.000 1.146 29 Y CA -0.159 57.936 58.100 -0.008 0.000 1.283 29 Y CB 0.381 38.839 38.460 -0.004 0.000 1.090 29 Y HN 0.435 nan 8.280 nan 0.000 0.526 30 N N 0.229 118.915 118.700 -0.024 0.000 2.805 30 N HA 0.141 4.884 4.740 0.005 0.000 0.216 30 N C -3.320 172.067 175.510 -0.204 0.000 1.447 30 N CA -1.487 51.529 53.050 -0.056 0.000 0.785 30 N CB 0.795 39.272 38.487 -0.017 0.000 1.458 30 N HN -0.215 nan 8.380 nan 0.000 0.547 31 P HA 0.176 nan 4.420 nan 0.000 0.271 31 P C 0.505 177.689 177.300 -0.195 0.000 1.218 31 P CA -0.107 62.707 63.100 -0.478 0.000 0.780 31 P CB 1.220 32.593 31.700 -0.546 0.000 0.901 32 S N 1.257 116.859 115.700 -0.162 0.000 2.382 32 S HA -0.154 4.320 4.470 0.005 0.000 0.228 32 S C 1.434 176.029 174.600 -0.008 0.000 1.027 32 S CA 1.416 59.576 58.200 -0.067 0.000 0.991 32 S CB -0.693 62.475 63.200 -0.055 0.000 0.823 32 S HN 0.586 nan 8.310 nan 0.000 0.469 33 N N 1.079 119.798 118.700 0.033 0.000 2.322 33 N HA 0.150 4.893 4.740 0.005 0.000 0.216 33 N C 0.990 176.544 175.510 0.074 0.000 1.144 33 N CA -0.127 52.960 53.050 0.062 0.000 0.830 33 N CB -0.316 38.229 38.487 0.096 0.000 1.034 33 N HN 0.174 nan 8.380 nan 0.000 0.484 34 L N 0.343 121.603 121.223 0.061 0.000 2.079 34 L HA -0.159 4.184 4.340 0.005 0.000 0.210 34 L C 2.041 178.952 176.870 0.069 0.000 1.081 34 L CA 1.781 56.679 54.840 0.096 0.000 0.752 34 L CB -0.898 41.213 42.059 0.087 0.000 0.896 34 L HN 0.298 nan 8.230 nan 0.000 0.433 35 S N -0.985 114.736 115.700 0.035 0.000 2.442 35 S HA -0.060 4.414 4.470 0.005 0.000 0.236 35 S C 1.953 176.548 174.600 -0.008 0.000 1.007 35 S CA 0.657 58.861 58.200 0.005 0.000 0.965 35 S CB -0.831 62.374 63.200 0.008 0.000 0.773 35 S HN 0.490 nan 8.310 nan 0.000 0.504 36 A N 1.287 124.121 122.820 0.023 0.000 2.206 36 A HA 0.545 4.869 4.320 0.005 0.000 0.211 36 A C 1.226 178.831 177.584 0.035 0.000 1.158 36 A CA 0.455 52.511 52.037 0.032 0.000 0.761 36 A CB -0.882 18.151 19.000 0.055 0.000 0.801 36 A HN 1.525 nan 8.150 nan 0.000 0.473 37 G N -2.540 106.271 108.800 0.019 0.000 2.592 37 G HA2 0.090 4.054 3.960 0.005 0.000 0.685 37 G HA3 0.090 4.054 3.960 0.005 0.000 0.685 37 G C 0.388 175.474 174.900 0.311 0.000 1.278 37 G CA -0.173 44.976 45.100 0.081 0.000 0.822 37 G HN 0.847 nan 8.290 nan 0.000 0.652 38 V N 1.169 121.451 119.914 0.613 0.000 2.358 38 V HA -0.126 3.997 4.120 0.005 0.000 0.246 38 V C 2.683 178.995 176.094 0.364 0.000 1.047 38 V CA 3.297 65.877 62.300 0.467 0.000 1.035 38 V CB -0.304 31.793 31.823 0.458 0.000 0.658 38 V HN 0.794 nan 8.190 nan 0.000 0.452 39 Q N -0.023 119.872 119.800 0.158 0.000 2.124 39 Q HA -0.205 4.138 4.340 0.005 0.000 0.202 39 Q C 2.076 178.155 176.000 0.132 0.000 0.977 39 Q CA 2.112 57.940 55.803 0.041 0.000 0.850 39 Q CB -0.285 28.370 28.738 -0.137 0.000 0.901 39 Q HN 0.696 nan 8.270 nan 0.000 0.429 40 E N 0.262 120.548 120.200 0.143 0.000 2.077 40 E HA -0.154 4.199 4.350 0.005 0.000 0.193 40 E C 1.855 178.559 176.600 0.173 0.000 0.989 40 E CA 1.267 57.742 56.400 0.125 0.000 0.800 40 E CB -0.377 29.390 29.700 0.110 0.000 0.746 40 E HN 0.406 nan 8.360 nan 0.000 0.452 41 A N 0.094 123.058 122.820 0.241 0.000 1.883 41 A HA -0.189 4.134 4.320 0.005 0.000 0.217 41 A C 1.829 179.611 177.584 0.331 0.000 1.186 41 A CA 1.494 53.688 52.037 0.262 0.000 0.624 41 A CB -1.073 18.081 19.000 0.257 0.000 0.822 41 A HN 0.380 nan 8.150 nan 0.000 0.444 42 W N -0.386 121.024 121.300 0.183 0.000 2.402 42 W HA 0.087 4.750 4.660 0.005 0.000 0.286 42 W C 2.602 179.043 176.519 -0.130 0.000 1.221 42 W CA 1.120 58.486 57.345 0.035 0.000 1.257 42 W CB -0.342 29.105 29.460 -0.022 0.000 1.120 42 W HN 0.365 nan 8.180 nan 0.000 0.551 43 A N 0.439 123.347 122.820 0.147 0.000 2.216 43 A HA -0.072 4.251 4.320 0.005 0.000 0.214 43 A C 1.988 179.559 177.584 -0.021 0.000 1.160 43 A CA 1.608 53.660 52.037 0.025 0.000 0.725 43 A CB -1.190 17.823 19.000 0.021 0.000 0.784 43 A HN 0.262 nan 8.150 nan 0.000 0.472 44 V N -2.242 117.677 119.914 0.008 0.000 2.594 44 V HA -0.185 3.938 4.120 0.005 0.000 0.253 44 V C 1.973 177.962 176.094 -0.174 0.000 1.069 44 V CA 1.915 64.222 62.300 0.012 0.000 1.082 44 V CB -0.941 30.984 31.823 0.170 0.000 0.680 44 V HN 0.448 nan 8.190 nan 0.000 0.469 45 L N -0.158 120.849 121.223 -0.360 0.000 2.456 45 L HA -0.027 4.316 4.340 0.005 0.000 0.224 45 L C 2.486 179.148 176.870 -0.347 0.000 1.148 45 L CA 1.254 55.743 54.840 -0.584 0.000 0.825 45 L CB -0.488 41.189 42.059 -0.637 0.000 0.937 45 L HN 0.436 nan 8.230 nan 0.000 0.450 46 Q N -0.666 119.010 119.800 -0.206 0.000 2.219 46 Q HA 0.135 4.478 4.340 0.005 0.000 0.209 46 Q C -0.068 175.877 176.000 -0.091 0.000 0.854 46 Q CA -0.180 55.541 55.803 -0.136 0.000 0.960 46 Q CB 0.637 29.313 28.738 -0.102 0.000 1.116 46 Q HN 0.478 nan 8.270 nan 0.000 0.500 47 E N 0.785 120.936 120.200 -0.082 0.000 2.408 47 E HA -0.026 4.327 4.350 0.005 0.000 0.259 47 E C 0.911 177.493 176.600 -0.030 0.000 1.110 47 E CA 0.272 56.652 56.400 -0.033 0.000 0.929 47 E CB 0.779 30.482 29.700 0.006 0.000 0.971 47 E HN 0.171 nan 8.360 nan 0.000 0.438 48 S N 1.791 117.484 115.700 -0.011 0.000 2.419 48 S HA -0.198 4.275 4.470 0.005 0.000 0.233 48 S C 1.229 175.830 174.600 0.002 0.000 1.016 48 S CA 1.298 59.492 58.200 -0.009 0.000 0.974 48 S CB -0.237 62.961 63.200 -0.003 0.000 0.786 48 S HN 0.667 nan 8.310 nan 0.000 0.492 49 N N 1.206 119.918 118.700 0.019 0.000 2.398 49 N HA 0.039 4.782 4.740 0.005 0.000 0.188 49 N C -0.257 175.283 175.510 0.051 0.000 1.122 49 N CA 0.015 53.090 53.050 0.041 0.000 0.866 49 N CB -0.002 38.522 38.487 0.061 0.000 0.970 49 N HN 0.339 nan 8.380 nan 0.000 0.462 50 V N 2.871 122.790 119.914 0.007 0.000 2.398 50 V HA 0.354 4.477 4.120 0.005 0.000 0.286 50 V C -1.938 174.132 176.094 -0.039 0.000 1.026 50 V CA -1.583 60.700 62.300 -0.029 0.000 0.868 50 V CB 1.498 33.209 31.823 -0.187 0.000 0.982 50 V HN 0.095 nan 8.190 nan 0.000 0.443 51 P HA 0.161 nan 4.420 nan 0.000 0.271 51 P C 0.182 177.452 177.300 -0.050 0.000 1.233 51 P CA -0.226 62.874 63.100 -0.000 0.000 0.789 51 P CB 0.867 32.599 31.700 0.052 0.000 0.951 52 D N -0.619 119.742 120.400 -0.065 0.000 2.263 52 D HA -0.040 4.603 4.640 0.005 0.000 0.208 52 D C 0.376 176.612 176.300 -0.106 0.000 0.971 52 D CA 1.390 55.320 54.000 -0.116 0.000 0.867 52 D CB -0.102 40.597 40.800 -0.169 0.000 0.929 52 D HN 0.091 nan 8.370 nan 0.000 0.492 53 L N 0.481 121.678 121.223 -0.044 0.000 2.491 53 L HA 0.316 4.659 4.340 0.005 0.000 0.267 53 L C -0.873 176.112 176.870 0.191 0.000 0.971 53 L CA -0.994 53.868 54.840 0.036 0.000 0.857 53 L CB 1.670 43.706 42.059 -0.039 0.000 1.226 53 L HN -0.168 nan 8.230 nan 0.000 0.408 54 V N 1.683 121.750 119.914 0.254 0.000 3.019 54 V HA 0.691 4.814 4.120 0.005 0.000 0.317 54 V C -1.120 175.231 176.094 0.429 0.000 1.094 54 V CA -0.721 61.761 62.300 0.304 0.000 1.000 54 V CB 2.087 33.985 31.823 0.124 0.000 1.060 54 V HN 0.911 nan 8.190 nan 0.000 0.443 55 W N 2.142 123.450 121.300 0.013 0.000 2.529 55 W HA 0.633 5.296 4.660 0.006 0.000 0.321 55 W C -0.815 175.572 176.519 -0.221 0.000 1.047 55 W CA -0.244 56.904 57.345 -0.329 0.000 1.216 55 W CB 1.946 30.980 29.460 -0.710 0.000 1.357 55 W HN 0.859 nan 8.180 nan 0.000 0.489 56 T N 5.191 119.285 114.554 -0.766 0.000 2.859 56 T HA 0.377 4.730 4.350 0.005 0.000 0.281 56 T C 0.921 175.169 174.700 -0.754 0.000 1.005 56 T CA -0.449 61.314 62.100 -0.561 0.000 1.025 56 T CB 1.109 69.697 68.868 -0.467 0.000 0.977 56 T HN 0.619 nan 8.240 nan 0.000 0.458 57 R N 1.968 122.312 120.500 -0.259 0.000 2.310 57 R HA 0.207 4.550 4.340 0.005 0.000 0.202 57 R C 0.485 176.715 176.300 -0.118 0.000 0.933 57 R CA -0.222 55.822 56.100 -0.093 0.000 1.054 57 R CB -0.284 30.048 30.300 0.053 0.000 0.985 57 R HN 0.539 nan 8.270 nan 0.000 0.489 58 C N 1.892 121.088 119.300 -0.174 0.000 2.656 58 C HA 0.111 4.574 4.460 0.005 0.000 0.391 58 C C 0.877 175.848 174.990 -0.032 0.000 1.300 58 C CA -0.760 58.201 59.018 -0.094 0.000 2.302 58 C CB 0.283 27.963 27.740 -0.100 0.000 2.655 58 C HN 0.641 nan 8.230 nan 0.000 0.656 59 N N 0.972 119.694 118.700 0.037 0.000 2.716 59 N HA -0.212 4.532 4.740 0.005 0.000 0.250 59 N C 0.883 176.446 175.510 0.089 0.000 1.033 59 N CA 1.498 54.608 53.050 0.099 0.000 0.727 59 N CB -1.272 37.337 38.487 0.202 0.000 0.950 59 N HN 1.420 nan 8.380 nan 0.000 0.541 60 G N -1.649 107.178 108.800 0.045 0.000 2.195 60 G HA2 0.055 4.019 3.960 0.005 0.000 0.246 60 G HA3 0.055 4.019 3.960 0.005 0.000 0.246 60 G C 0.461 175.386 174.900 0.042 0.000 0.984 60 G CA 0.637 45.770 45.100 0.053 0.000 0.633 60 G HN 1.642 nan 8.290 nan 0.000 0.525 61 G N -0.715 108.034 108.800 -0.085 0.000 3.190 61 G HA2 0.557 4.520 3.960 0.005 0.000 0.686 61 G HA3 0.557 4.520 3.960 0.005 0.000 0.686 61 G C -0.517 173.922 174.900 -0.769 0.000 1.033 61 G CA 0.590 45.443 45.100 -0.411 0.000 0.797 61 G HN 2.808 nan 8.290 nan 0.000 0.567 62 H N -1.610 116.508 119.070 -1.587 0.000 3.037 62 H HA 0.651 5.210 4.556 0.005 0.000 0.336 62 H C -0.481 174.168 175.328 -1.131 0.000 1.323 62 H CA -1.625 53.690 56.048 -1.222 0.000 1.159 62 H CB 0.176 29.686 29.762 -0.420 0.000 1.882 62 H HN 0.663 nan 8.280 nan 0.000 0.535 63 W N 1.064 122.259 121.300 -0.175 0.000 2.126 63 W HA 0.527 5.190 4.660 0.005 0.000 0.346 63 W C -0.188 176.383 176.519 0.086 0.000 1.279 63 W CA -0.439 56.947 57.345 0.068 0.000 1.259 63 W CB 0.654 30.267 29.460 0.255 0.000 1.133 63 W HN 0.418 nan 8.180 nan 0.000 0.592 64 I N 2.694 123.459 120.570 0.325 0.000 2.500 64 I HA 0.353 4.526 4.170 0.005 0.000 0.286 64 I C -0.193 175.990 176.117 0.109 0.000 1.063 64 I CA -1.151 60.252 61.300 0.170 0.000 1.062 64 I CB 1.261 39.278 38.000 0.029 0.000 1.223 64 I HN 0.435 nan 8.210 nan 0.000 0.435 65 A N 3.435 126.286 122.820 0.053 0.000 2.362 65 A HA 0.480 4.803 4.320 0.005 0.000 0.276 65 A C 0.996 178.540 177.584 -0.067 0.000 1.153 65 A CA -0.084 51.940 52.037 -0.021 0.000 0.813 65 A CB 0.197 19.163 19.000 -0.055 0.000 1.081 65 A HN 0.859 nan 8.150 nan 0.000 0.507 66 T N -0.241 114.250 114.554 -0.105 0.000 3.040 66 T HA 0.247 4.600 4.350 0.005 0.000 0.250 66 T C 0.612 175.236 174.700 -0.126 0.000 1.058 66 T CA -0.062 61.955 62.100 -0.137 0.000 0.988 66 T CB 0.092 68.848 68.868 -0.186 0.000 0.993 66 T HN 0.523 nan 8.240 nan 0.000 0.519 67 R N 0.315 120.738 120.500 -0.128 0.000 2.670 67 R HA 0.584 4.927 4.340 0.005 0.000 0.289 67 R C 1.478 177.707 176.300 -0.118 0.000 0.965 67 R CA -0.308 55.718 56.100 -0.124 0.000 0.899 67 R CB 1.257 31.474 30.300 -0.139 0.000 1.173 67 R HN 0.217 nan 8.270 nan 0.000 0.456 68 G N 1.105 109.845 108.800 -0.101 0.000 2.469 68 G HA2 -0.352 3.611 3.960 0.005 0.000 0.219 68 G HA3 -0.352 3.611 3.960 0.005 0.000 0.219 68 G C 1.130 175.965 174.900 -0.108 0.000 1.150 68 G CA 0.935 45.976 45.100 -0.098 0.000 0.763 68 G HN 0.495 nan 8.290 nan 0.000 0.561 69 Q N -0.273 119.465 119.800 -0.103 0.000 2.061 69 Q HA -0.023 4.320 4.340 0.005 0.000 0.204 69 Q C 2.457 178.401 176.000 -0.093 0.000 0.984 69 Q CA 1.247 57.000 55.803 -0.084 0.000 0.846 69 Q CB -0.386 28.307 28.738 -0.074 0.000 0.902 69 Q HN 0.430 nan 8.270 nan 0.000 0.421 70 L N -0.565 120.543 121.223 -0.190 0.000 2.109 70 L HA -0.060 4.283 4.340 0.005 0.000 0.207 70 L C 2.133 178.972 176.870 -0.052 0.000 1.086 70 L CA 1.113 55.837 54.840 -0.193 0.000 0.760 70 L CB -0.378 41.465 42.059 -0.359 0.000 0.910 70 L HN 0.272 nan 8.230 nan 0.000 0.437 71 I N -0.895 119.613 120.570 -0.102 0.000 2.179 71 I HA -0.327 3.846 4.170 0.005 0.000 0.242 71 I C 2.641 178.730 176.117 -0.048 0.000 1.088 71 I CA 1.288 62.521 61.300 -0.112 0.000 1.357 71 I CB -0.255 37.718 38.000 -0.045 0.000 1.051 71 I HN 0.173 nan 8.210 nan 0.000 0.409 72 R N 0.341 120.794 120.500 -0.078 0.000 2.083 72 R HA -0.217 4.126 4.340 0.005 0.000 0.237 72 R C 2.290 178.667 176.300 0.129 0.000 1.137 72 R CA 1.679 57.684 56.100 -0.159 0.000 0.951 72 R CB -0.408 29.654 30.300 -0.398 0.000 0.851 72 R HN 0.393 nan 8.270 nan 0.000 0.434 73 E N 0.363 120.638 120.200 0.126 0.000 2.058 73 E HA -0.218 4.135 4.350 0.005 0.000 0.194 73 E C 1.939 178.644 176.600 0.174 0.000 0.997 73 E CA 1.315 57.860 56.400 0.243 0.000 0.801 73 E CB -0.035 29.896 29.700 0.384 0.000 0.746 73 E HN 0.405 nan 8.360 nan 0.000 0.450 74 A N -0.128 122.632 122.820 -0.100 0.000 1.930 74 A HA -0.158 4.165 4.320 0.005 0.000 0.217 74 A C 1.794 179.199 177.584 -0.299 0.000 1.175 74 A CA 1.091 52.714 52.037 -0.689 0.000 0.627 74 A CB -0.661 17.487 19.000 -1.420 0.000 0.815 74 A HN 0.351 nan 8.150 nan 0.000 0.443 75 Y N 0.336 120.638 120.300 0.003 0.000 2.352 75 Y HA -0.079 4.474 4.550 0.005 0.000 0.292 75 Y C 2.313 178.356 175.900 0.238 0.000 1.136 75 Y CA 1.353 59.541 58.100 0.148 0.000 1.227 75 Y CB -0.303 38.282 38.460 0.209 0.000 0.991 75 Y HN 0.469 nan 8.280 nan 0.000 0.545 76 E N -0.752 119.683 120.200 0.392 0.000 2.152 76 E HA -0.138 4.215 4.350 0.005 0.000 0.192 76 E C 0.374 177.136 176.600 0.269 0.000 0.983 76 E CA 0.938 57.524 56.400 0.310 0.000 0.818 76 E CB 0.061 29.923 29.700 0.270 0.000 0.758 76 E HN 0.138 nan 8.360 nan 0.000 0.467 77 D N 0.026 120.578 120.400 0.254 0.000 2.639 77 D HA -0.006 4.637 4.640 0.005 0.000 0.233 77 D C 0.264 176.661 176.300 0.162 0.000 1.161 77 D CA -0.459 53.636 54.000 0.157 0.000 1.003 77 D CB -0.170 40.804 40.800 0.289 0.000 1.034 77 D HN 0.188 nan 8.370 nan 0.000 0.514 78 Y N 0.559 120.950 120.300 0.153 0.000 2.574 78 Y HA 0.083 4.636 4.550 0.005 0.000 0.294 78 Y C 1.757 177.659 175.900 0.004 0.000 1.142 78 Y CA 0.248 58.423 58.100 0.125 0.000 1.314 78 Y CB -0.307 38.235 38.460 0.136 0.000 0.991 78 Y HN 0.051 nan 8.280 nan 0.000 0.555 79 R N 0.053 120.319 120.500 -0.390 0.000 2.075 79 R HA -0.090 4.253 4.340 0.005 0.000 0.232 79 R C 1.356 177.358 176.300 -0.498 0.000 1.126 79 R CA 1.957 57.793 56.100 -0.440 0.000 0.963 79 R CB -0.551 29.380 30.300 -0.615 0.000 0.858 79 R HN 0.570 nan 8.270 nan 0.000 0.435 80 H N -1.584 117.235 119.070 -0.417 0.000 2.486 80 H HA 0.118 4.677 4.556 0.005 0.000 0.287 80 H C -0.182 174.709 175.328 -0.729 0.000 1.010 80 H CA 0.336 55.946 56.048 -0.730 0.000 1.324 80 H CB 0.371 29.330 29.762 -1.339 0.000 1.446 80 H HN -0.030 nan 8.280 nan 0.000 0.537 81 F N 0.889 120.824 119.950 -0.025 0.000 2.359 81 F HA 0.319 4.849 4.527 0.006 0.000 0.369 81 F C 0.109 175.943 175.800 0.057 0.000 1.084 81 F CA -0.770 57.224 58.000 -0.010 0.000 1.096 81 F CB 1.404 40.356 39.000 -0.079 0.000 1.335 81 F HN -0.124 nan 8.300 nan 0.000 0.457 82 S N 0.977 116.782 115.700 0.175 0.000 2.554 82 S HA 0.301 4.774 4.470 0.005 0.000 0.278 82 S C 0.977 175.650 174.600 0.122 0.000 1.242 82 S CA -0.344 57.947 58.200 0.151 0.000 1.051 82 S CB 0.943 64.199 63.200 0.093 0.000 0.986 82 S HN 0.633 nan 8.310 nan 0.000 0.502 83 S N 2.796 118.558 115.700 0.103 0.000 2.605 83 S HA 0.101 4.575 4.470 0.005 0.000 0.217 83 S C 1.256 175.853 174.600 -0.006 0.000 0.958 83 S CA 0.161 58.362 58.200 0.001 0.000 0.919 83 S CB -0.176 62.938 63.200 -0.143 0.000 0.780 83 S HN 0.863 nan 8.310 nan 0.000 0.507 84 E N 0.303 120.526 120.200 0.039 0.000 2.160 84 E HA -0.189 4.164 4.350 0.005 0.000 0.195 84 E C -0.014 176.590 176.600 0.007 0.000 0.991 84 E CA 0.995 57.417 56.400 0.037 0.000 0.810 84 E CB 0.004 29.733 29.700 0.047 0.000 0.742 84 E HN 0.576 nan 8.360 nan 0.000 0.466 85 C N 1.616 120.908 119.300 -0.013 0.000 3.002 85 C HA 0.428 4.891 4.460 0.005 0.000 0.248 85 C C -2.148 172.803 174.990 -0.065 0.000 1.153 85 C CA -1.467 57.527 59.018 -0.040 0.000 1.502 85 C CB 0.907 28.650 27.740 0.005 0.000 1.805 85 C HN 0.267 nan 8.230 nan 0.000 0.450 86 P HA 0.208 nan 4.420 nan 0.000 0.264 86 P C -0.067 177.297 177.300 0.106 0.000 1.259 86 P CA 0.316 63.351 63.100 -0.108 0.000 0.841 86 P CB 0.298 31.818 31.700 -0.301 0.000 1.232 87 F N 0.225 119.979 119.950 -0.327 0.000 2.507 87 F HA 0.455 4.986 4.527 0.005 0.000 0.327 87 F C 0.820 176.513 175.800 -0.178 0.000 1.068 87 F CA -2.126 55.723 58.000 -0.252 0.000 0.965 87 F CB 0.987 39.792 39.000 -0.325 0.000 1.192 87 F HN -0.349 nan 8.300 nan 0.000 0.476 88 I N 4.865 125.423 120.570 -0.021 0.000 2.412 88 I HA 0.353 4.526 4.170 0.005 0.000 0.296 88 I C -2.036 174.161 176.117 0.132 0.000 0.987 88 I CA -1.904 59.371 61.300 -0.040 0.000 1.180 88 I CB 1.893 39.724 38.000 -0.282 0.000 1.340 88 I HN 0.369 nan 8.210 nan 0.000 0.455 89 P HA 0.164 nan 4.420 nan 0.000 0.277 89 P C 0.331 177.650 177.300 0.030 0.000 1.271 89 P CA -0.488 62.650 63.100 0.064 0.000 0.795 89 P CB 0.883 32.619 31.700 0.060 0.000 1.101 90 R N 0.729 121.248 120.500 0.032 0.000 2.103 90 R HA -0.186 4.157 4.340 0.005 0.000 0.242 90 R C 2.137 178.445 176.300 0.013 0.000 1.142 90 R CA 2.043 58.159 56.100 0.027 0.000 0.960 90 R CB -0.321 30.008 30.300 0.048 0.000 0.858 90 R HN 0.549 nan 8.270 nan 0.000 0.439 91 E N 0.161 120.374 120.200 0.022 0.000 2.110 91 E HA -0.200 4.153 4.350 0.005 0.000 0.193 91 E C 1.751 178.351 176.600 -0.000 0.000 0.988 91 E CA 1.384 57.800 56.400 0.026 0.000 0.804 91 E CB -0.354 29.373 29.700 0.044 0.000 0.745 91 E HN 0.456 nan 8.360 nan 0.000 0.458 92 A N 2.028 124.822 122.820 -0.043 0.000 1.855 92 A HA 0.024 4.347 4.320 0.005 0.000 0.215 92 A C 2.634 179.946 177.584 -0.452 0.000 1.191 92 A CA 1.808 53.679 52.037 -0.276 0.000 0.613 92 A CB -1.354 17.548 19.000 -0.164 0.000 0.829 92 A HN 0.407 nan 8.150 nan 0.000 0.442 93 G N -0.472 108.210 108.800 -0.198 0.000 2.442 93 G HA2 -0.238 3.725 3.960 0.005 0.000 0.219 93 G HA3 -0.238 3.725 3.960 0.005 0.000 0.219 93 G C 1.437 176.271 174.900 -0.110 0.000 1.141 93 G CA 1.115 46.118 45.100 -0.162 0.000 0.763 93 G HN 0.662 nan 8.290 nan 0.000 0.554 94 E N 0.304 120.468 120.200 -0.059 0.000 2.107 94 E HA 0.059 4.412 4.350 0.005 0.000 0.191 94 E C 2.886 179.483 176.600 -0.005 0.000 0.982 94 E CA 0.645 57.036 56.400 -0.014 0.000 0.809 94 E CB -0.119 29.587 29.700 0.010 0.000 0.756 94 E HN 0.419 nan 8.360 nan 0.000 0.459 95 A N 0.827 123.644 122.820 -0.005 0.000 1.968 95 A HA -0.136 4.188 4.320 0.005 0.000 0.217 95 A C 0.799 178.410 177.584 0.045 0.000 1.169 95 A CA 0.300 52.377 52.037 0.066 0.000 0.638 95 A CB -0.499 18.631 19.000 0.216 0.000 0.812 95 A HN 0.318 nan 8.150 nan 0.000 0.446 96 Y N 2.435 122.582 120.300 -0.254 0.000 2.770 96 Y HA 0.134 4.687 4.550 0.005 0.000 0.342 96 Y C 0.368 176.116 175.900 -0.253 0.000 1.221 96 Y CA 0.043 57.915 58.100 -0.380 0.000 1.560 96 Y CB 0.399 38.433 38.460 -0.710 0.000 1.213 96 Y HN 0.472 nan 8.280 nan 0.000 0.525 97 D N 4.105 124.256 120.400 -0.416 0.000 2.636 97 D HA 0.017 4.660 4.640 0.005 0.000 0.270 97 D C -0.550 175.659 176.300 -0.152 0.000 1.430 97 D CA -0.362 53.542 54.000 -0.159 0.000 0.796 97 D CB -0.900 39.864 40.800 -0.061 0.000 1.117 97 D HN 0.160 nan 8.370 nan 0.000 0.480 98 F N 1.307 121.039 119.950 -0.363 0.000 2.595 98 F HA 0.243 4.773 4.527 0.005 0.000 0.359 98 F C 1.241 176.999 175.800 -0.071 0.000 1.147 98 F CA -0.378 57.484 58.000 -0.230 0.000 1.341 98 F CB 0.390 39.144 39.000 -0.410 0.000 1.104 98 F HN -0.096 nan 8.300 nan 0.000 0.603 99 I N 4.472 125.124 120.570 0.135 0.000 2.474 99 I HA 0.222 4.395 4.170 0.005 0.000 0.294 99 I C -1.796 174.343 176.117 0.038 0.000 1.005 99 I CA -1.815 59.465 61.300 -0.032 0.000 1.113 99 I CB 2.335 40.150 38.000 -0.309 0.000 1.289 99 I HN 0.349 nan 8.210 nan 0.000 0.436 100 P HA 0.061 nan 4.420 nan 0.000 0.255 100 P C 1.058 178.504 177.300 0.244 0.000 1.248 100 P CA 0.427 63.588 63.100 0.102 0.000 0.807 100 P CB 0.175 31.966 31.700 0.151 0.000 1.150 101 T N -0.609 114.120 114.554 0.293 0.000 2.867 101 T HA -0.112 4.241 4.350 0.005 0.000 0.268 101 T C 1.743 176.560 174.700 0.195 0.000 1.057 101 T CA 1.892 64.167 62.100 0.292 0.000 1.136 101 T CB -0.672 68.394 68.868 0.329 0.000 0.874 101 T HN 0.268 nan 8.240 nan 0.000 0.466 102 S N 0.104 115.976 115.700 0.285 0.000 2.603 102 S HA 0.263 4.736 4.470 0.005 0.000 0.220 102 S C 0.519 175.197 174.600 0.129 0.000 0.967 102 S CA -0.208 58.108 58.200 0.194 0.000 0.920 102 S CB -0.550 62.795 63.200 0.242 0.000 0.773 102 S HN 0.353 nan 8.310 nan 0.000 0.529 103 M N 2.040 121.743 119.600 0.172 0.000 2.472 103 M HA 0.474 4.957 4.480 0.005 0.000 0.331 103 M C -0.876 175.552 176.300 0.212 0.000 1.170 103 M CA -0.634 54.755 55.300 0.148 0.000 1.009 103 M CB 1.411 34.069 32.600 0.096 0.000 1.672 103 M HN 0.024 nan 8.290 nan 0.000 0.453 104 D N 2.112 122.590 120.400 0.129 0.000 2.277 104 D HA 0.437 5.080 4.640 0.005 0.000 0.250 104 D C -2.437 173.813 176.300 -0.084 0.000 1.032 104 D CA -1.242 52.798 54.000 0.067 0.000 0.947 104 D CB 1.039 41.905 40.800 0.111 0.000 1.159 104 D HN 0.165 nan 8.370 nan 0.000 0.460 105 P HA 0.041 nan 4.420 nan 0.000 0.268 105 P C -1.644 175.582 177.300 -0.123 0.000 1.208 105 P CA -0.694 62.206 63.100 -0.333 0.000 0.777 105 P CB 0.188 31.461 31.700 -0.712 0.000 0.875 106 P HA -0.081 nan 4.420 nan 0.000 0.224 106 P C 1.301 178.593 177.300 -0.013 0.000 1.157 106 P CA 1.091 64.171 63.100 -0.032 0.000 0.799 106 P CB 0.138 31.842 31.700 0.006 0.000 0.809 107 E N 0.416 120.634 120.200 0.031 0.000 2.118 107 E HA -0.240 4.114 4.350 0.005 0.000 0.195 107 E C 2.232 178.945 176.600 0.188 0.000 0.992 107 E CA 0.862 57.325 56.400 0.105 0.000 0.804 107 E CB -0.165 29.612 29.700 0.129 0.000 0.741 107 E HN 0.211 nan 8.360 nan 0.000 0.458 108 Q N 0.495 120.362 119.800 0.112 0.000 2.170 108 Q HA -0.201 4.143 4.340 0.005 0.000 0.203 108 Q C 2.051 178.141 176.000 0.150 0.000 0.976 108 Q CA 1.094 56.986 55.803 0.148 0.000 0.858 108 Q CB 0.034 28.750 28.738 -0.037 0.000 0.907 108 Q HN 0.262 nan 8.270 nan 0.000 0.433 109 R N 0.441 120.950 120.500 0.016 0.000 2.073 109 R HA -0.185 4.158 4.340 0.005 0.000 0.234 109 R C 2.520 178.797 176.300 -0.038 0.000 1.134 109 R CA 1.821 57.900 56.100 -0.036 0.000 0.952 109 R CB -0.448 29.810 30.300 -0.071 0.000 0.850 109 R HN 0.562 nan 8.270 nan 0.000 0.433 110 Q N -0.091 119.643 119.800 -0.111 0.000 2.197 110 Q HA -0.170 4.173 4.340 0.005 0.000 0.207 110 Q C 1.553 177.384 176.000 -0.282 0.000 0.984 110 Q CA 1.625 57.276 55.803 -0.252 0.000 0.869 110 Q CB -0.429 28.054 28.738 -0.425 0.000 0.906 110 Q HN 0.306 nan 8.270 nan 0.000 0.426 111 F N 1.061 121.002 119.950 -0.015 0.000 2.367 111 F HA 0.115 4.645 4.527 0.005 0.000 0.298 111 F C 2.378 178.176 175.800 -0.003 0.000 1.094 111 F CA 0.558 58.558 58.000 -0.001 0.000 1.409 111 F CB -0.047 38.963 39.000 0.016 0.000 1.064 111 F HN -0.056 nan 8.300 nan 0.000 0.528 112 R N 0.263 120.844 120.500 0.134 0.000 2.096 112 R HA -0.138 4.205 4.340 0.005 0.000 0.235 112 R C 2.443 178.765 176.300 0.036 0.000 1.127 112 R CA 1.218 57.358 56.100 0.067 0.000 0.968 112 R CB -0.723 29.586 30.300 0.016 0.000 0.861 112 R HN 0.286 nan 8.270 nan 0.000 0.440 113 A N 1.084 123.908 122.820 0.006 0.000 1.933 113 A HA -0.148 4.175 4.320 0.005 0.000 0.218 113 A C 2.050 179.636 177.584 0.004 0.000 1.175 113 A CA 1.013 53.045 52.037 -0.009 0.000 0.628 113 A CB -0.373 18.604 19.000 -0.037 0.000 0.814 113 A HN 0.225 nan 8.150 nan 0.000 0.444 114 L N -0.277 120.956 121.223 0.016 0.000 2.056 114 L HA 0.034 4.377 4.340 0.005 0.000 0.207 114 L C 2.649 179.549 176.870 0.050 0.000 1.078 114 L CA 2.103 56.962 54.840 0.031 0.000 0.749 114 L CB -0.876 41.212 42.059 0.050 0.000 0.901 114 L HN 0.321 nan 8.230 nan 0.000 0.433 115 A N -0.505 122.359 122.820 0.073 0.000 1.978 115 A HA -0.229 4.095 4.320 0.005 0.000 0.220 115 A C 2.086 179.697 177.584 0.046 0.000 1.170 115 A CA 1.808 53.885 52.037 0.066 0.000 0.636 115 A CB -0.809 18.237 19.000 0.077 0.000 0.810 115 A HN 0.602 nan 8.150 nan 0.000 0.448 116 N N -0.202 118.520 118.700 0.036 0.000 2.289 116 N HA -0.131 4.612 4.740 0.005 0.000 0.184 116 N C 1.749 177.271 175.510 0.020 0.000 1.016 116 N CA 1.132 54.200 53.050 0.029 0.000 0.872 116 N CB -0.327 38.173 38.487 0.022 0.000 0.973 116 N HN 0.666 nan 8.380 nan 0.000 0.433 117 Q N -0.135 119.674 119.800 0.015 0.000 2.291 117 Q HA -0.059 4.284 4.340 0.005 0.000 0.205 117 Q C 1.779 177.782 176.000 0.005 0.000 0.970 117 Q CA 1.028 56.834 55.803 0.006 0.000 0.876 117 Q CB 0.338 29.077 28.738 0.003 0.000 0.935 117 Q HN 0.381 nan 8.270 nan 0.000 0.455 118 V N -4.015 115.908 119.914 0.014 0.000 3.455 118 V HA 0.101 4.224 4.120 0.005 0.000 0.250 118 V C 1.419 177.522 176.094 0.016 0.000 1.230 118 V CA 0.424 62.727 62.300 0.007 0.000 1.105 118 V CB 0.668 32.495 31.823 0.007 0.000 0.850 118 V HN 0.172 nan 8.190 nan 0.000 0.461 119 V N -1.937 117.998 119.914 0.034 0.000 3.398 119 V HA 0.724 4.847 4.120 0.005 0.000 0.298 119 V C 1.025 177.148 176.094 0.048 0.000 1.496 119 V CA 0.313 62.640 62.300 0.044 0.000 1.044 119 V CB -0.465 31.396 31.823 0.064 0.000 0.880 119 V HN 0.449 nan 8.190 nan 0.000 0.443 120 G N -0.548 108.281 108.800 0.048 0.000 2.621 120 G HA2 0.358 4.321 3.960 0.005 0.000 0.271 120 G HA3 0.358 4.321 3.960 0.005 0.000 0.271 120 G C 0.739 175.669 174.900 0.051 0.000 1.236 120 G CA -0.219 44.925 45.100 0.075 0.000 0.958 120 G HN -0.003 nan 8.290 nan 0.000 0.512 121 M N 0.367 119.972 119.600 0.008 0.000 2.108 121 M HA -0.105 4.378 4.480 0.005 0.000 0.257 121 M C 0.102 176.377 176.300 -0.042 0.000 1.071 121 M CA 1.874 57.128 55.300 -0.076 0.000 1.093 121 M CB -1.897 30.572 32.600 -0.218 0.000 1.345 121 M HN 0.261 nan 8.290 nan 0.000 0.403 122 P HA -0.079 nan 4.420 nan 0.000 0.217 122 P C 1.865 179.156 177.300 -0.015 0.000 1.150 122 P CA 1.048 64.133 63.100 -0.025 0.000 0.832 122 P CB -0.062 31.625 31.700 -0.022 0.000 0.787 123 V N -0.738 119.171 119.914 -0.008 0.000 2.453 123 V HA -0.148 3.975 4.120 0.005 0.000 0.247 123 V C 2.436 178.529 176.094 -0.003 0.000 1.048 123 V CA 1.371 63.666 62.300 -0.008 0.000 1.049 123 V CB -1.057 30.762 31.823 -0.007 0.000 0.672 123 V HN -0.047 nan 8.190 nan 0.000 0.457 124 V N 0.325 120.244 119.914 0.008 0.000 2.332 124 V HA -0.277 3.846 4.120 0.005 0.000 0.248 124 V C 2.307 178.407 176.094 0.011 0.000 1.055 124 V CA 2.237 64.547 62.300 0.017 0.000 1.038 124 V CB -0.721 31.124 31.823 0.037 0.000 0.651 124 V HN 0.538 nan 8.190 nan 0.000 0.450 125 D N -0.061 120.339 120.400 -0.000 0.000 2.117 125 D HA -0.150 4.493 4.640 0.005 0.000 0.197 125 D C 2.261 178.561 176.300 0.001 0.000 0.987 125 D CA 1.173 55.173 54.000 -0.001 0.000 0.829 125 D CB -0.225 40.567 40.800 -0.012 0.000 0.961 125 D HN 0.414 nan 8.370 nan 0.000 0.460 126 K N 0.062 120.460 120.400 -0.004 0.000 2.057 126 K HA -0.040 4.283 4.320 0.005 0.000 0.207 126 K C 2.066 178.664 176.600 -0.003 0.000 1.049 126 K CA 0.642 56.925 56.287 -0.006 0.000 0.931 126 K CB -0.062 32.430 32.500 -0.013 0.000 0.714 126 K HN 0.186 nan 8.250 nan 0.000 0.440 127 L N 0.318 121.540 121.223 -0.002 0.000 2.558 127 L HA -0.009 4.334 4.340 0.005 0.000 0.225 127 L C 2.217 179.098 176.870 0.018 0.000 1.128 127 L CA 0.162 55.001 54.840 -0.001 0.000 0.868 127 L CB -0.103 41.948 42.059 -0.014 0.000 1.006 127 L HN 0.242 nan 8.230 nan 0.000 0.454 128 E N 0.827 121.043 120.200 0.026 0.000 2.085 128 E HA -0.266 4.088 4.350 0.005 0.000 0.194 128 E C 1.794 178.428 176.600 0.056 0.000 0.994 128 E CA 1.433 57.861 56.400 0.047 0.000 0.801 128 E CB 0.186 29.912 29.700 0.043 0.000 0.743 128 E HN 0.412 nan 8.360 nan 0.000 0.453 129 N N 0.378 119.102 118.700 0.040 0.000 2.043 129 N HA -0.150 4.594 4.740 0.005 0.000 0.193 129 N C 1.777 177.318 175.510 0.052 0.000 1.037 129 N CA 1.036 54.111 53.050 0.041 0.000 0.851 129 N CB -0.231 38.272 38.487 0.027 0.000 1.027 129 N HN 0.125 nan 8.380 nan 0.000 0.422 130 R N 0.703 121.228 120.500 0.041 0.000 2.115 130 R HA 0.079 4.422 4.340 0.005 0.000 0.230 130 R C 2.297 178.644 176.300 0.079 0.000 1.111 130 R CA 0.348 56.474 56.100 0.044 0.000 0.976 130 R CB -0.692 29.617 30.300 0.016 0.000 0.870 130 R HN 0.376 nan 8.270 nan 0.000 0.445 131 I N 0.550 121.174 120.570 0.090 0.000 2.202 131 I HA -0.302 3.871 4.170 0.005 0.000 0.242 131 I C 2.654 178.951 176.117 0.299 0.000 1.091 131 I CA 1.259 62.661 61.300 0.171 0.000 1.368 131 I CB -0.258 37.817 38.000 0.125 0.000 1.058 131 I HN 0.119 nan 8.210 nan 0.000 0.410 132 Q N 1.055 120.970 119.800 0.193 0.000 2.061 132 Q HA -0.278 4.066 4.340 0.005 0.000 0.204 132 Q C 2.204 178.284 176.000 0.134 0.000 0.984 132 Q CA 1.835 57.733 55.803 0.158 0.000 0.846 132 Q CB -0.193 28.605 28.738 0.101 0.000 0.902 132 Q HN 0.315 nan 8.270 nan 0.000 0.421 133 E N -0.151 120.115 120.200 0.110 0.000 2.058 133 E HA -0.210 4.144 4.350 0.005 0.000 0.194 133 E C 1.887 178.551 176.600 0.106 0.000 0.997 133 E CA 1.373 57.824 56.400 0.085 0.000 0.801 133 E CB -0.215 29.523 29.700 0.063 0.000 0.746 133 E HN 0.418 nan 8.360 nan 0.000 0.450 134 L N 0.756 122.073 121.223 0.157 0.000 2.072 134 L HA -0.018 4.325 4.340 0.005 0.000 0.205 134 L C 2.370 179.359 176.870 0.197 0.000 1.079 134 L CA 2.112 57.062 54.840 0.182 0.000 0.752 134 L CB -0.929 41.261 42.059 0.219 0.000 0.906 134 L HN 0.103 nan 8.230 nan 0.000 0.436 135 A N -1.063 121.887 122.820 0.216 0.000 1.883 135 A HA -0.282 4.041 4.320 0.005 0.000 0.217 135 A C 2.411 180.042 177.584 0.078 0.000 1.186 135 A CA 2.103 54.150 52.037 0.016 0.000 0.624 135 A CB -1.552 17.371 19.000 -0.129 0.000 0.822 135 A HN 0.622 nan 8.150 nan 0.000 0.444 136 C N -1.343 117.992 119.300 0.058 0.000 2.429 136 C HA -0.054 4.410 4.460 0.005 0.000 0.277 136 C C 3.320 178.322 174.990 0.021 0.000 1.262 136 C CA 1.360 60.391 59.018 0.021 0.000 1.733 136 C CB -1.169 26.584 27.740 0.021 0.000 2.010 136 C HN 0.700 nan 8.230 nan 0.000 0.483 137 S N 0.283 116.011 115.700 0.048 0.000 2.348 137 S HA -0.084 4.389 4.470 0.005 0.000 0.221 137 S C 1.770 176.402 174.600 0.053 0.000 1.033 137 S CA 1.380 59.606 58.200 0.043 0.000 1.010 137 S CB -0.296 62.935 63.200 0.052 0.000 0.891 137 S HN 0.589 nan 8.310 nan 0.000 0.442 138 L N 0.764 122.041 121.223 0.090 0.000 2.046 138 L HA -0.094 4.249 4.340 0.005 0.000 0.208 138 L C 2.378 179.320 176.870 0.119 0.000 1.077 138 L CA 1.359 56.277 54.840 0.130 0.000 0.747 138 L CB -0.514 41.652 42.059 0.178 0.000 0.896 138 L HN 0.372 nan 8.230 nan 0.000 0.432 139 I N -0.604 120.004 120.570 0.065 0.000 2.286 139 I HA -0.224 3.950 4.170 0.005 0.000 0.245 139 I C 2.595 178.601 176.117 -0.185 0.000 1.104 139 I CA 0.828 62.035 61.300 -0.154 0.000 1.397 139 I CB -0.190 37.638 38.000 -0.287 0.000 1.072 139 I HN 0.219 nan 8.210 nan 0.000 0.417 140 E N 0.806 120.945 120.200 -0.101 0.000 2.110 140 E HA -0.225 4.128 4.350 0.005 0.000 0.193 140 E C 2.217 178.799 176.600 -0.031 0.000 0.988 140 E CA 1.658 58.011 56.400 -0.079 0.000 0.804 140 E CB -0.241 29.432 29.700 -0.045 0.000 0.745 140 E HN 0.237 nan 8.360 nan 0.000 0.458 141 S N -1.007 114.694 115.700 0.002 0.000 2.383 141 S HA -0.018 4.455 4.470 0.005 0.000 0.227 141 S C 1.798 176.433 174.600 0.060 0.000 1.026 141 S CA 0.968 59.187 58.200 0.032 0.000 0.981 141 S CB -0.178 63.049 63.200 0.045 0.000 0.818 141 S HN 0.348 nan 8.310 nan 0.000 0.472 142 L N 0.749 122.014 121.223 0.070 0.000 2.179 142 L HA 0.097 4.440 4.340 0.005 0.000 0.208 142 L C 2.712 179.747 176.870 0.276 0.000 1.096 142 L CA 0.725 55.670 54.840 0.174 0.000 0.779 142 L CB -0.488 41.696 42.059 0.208 0.000 0.922 142 L HN 0.273 nan 8.230 nan 0.000 0.443 143 R N 0.956 121.502 120.500 0.077 0.000 2.133 143 R HA -0.197 4.147 4.340 0.005 0.000 0.245 143 R C -0.588 175.903 176.300 0.319 0.000 1.137 143 R CA 2.295 58.448 56.100 0.088 0.000 0.947 143 R CB -1.258 28.975 30.300 -0.111 0.000 0.865 143 R HN 0.252 nan 8.270 nan 0.000 0.437 144 P HA -0.073 nan 4.420 nan 0.000 0.233 144 P C 0.464 177.811 177.300 0.079 0.000 1.167 144 P CA 1.120 64.292 63.100 0.120 0.000 0.770 144 P CB -0.016 31.719 31.700 0.058 0.000 0.837 145 Q N -0.504 119.345 119.800 0.080 0.000 2.172 145 Q HA 0.045 4.388 4.340 0.005 0.000 0.200 145 Q C 1.612 177.423 176.000 -0.316 0.000 0.964 145 Q CA 1.052 56.814 55.803 -0.067 0.000 0.855 145 Q CB -0.533 28.186 28.738 -0.031 0.000 0.918 145 Q HN 0.279 nan 8.270 nan 0.000 0.444 146 G N 1.355 109.766 108.800 -0.649 0.000 2.168 146 G HA2 -0.320 3.644 3.960 0.005 0.000 0.263 146 G HA3 -0.320 3.644 3.960 0.005 0.000 0.263 146 G C -0.049 173.890 174.900 -1.602 0.000 0.977 146 G CA 0.840 45.130 45.100 -1.351 0.000 0.659 146 G HN 0.466 nan 8.290 nan 0.000 0.533 147 Q N -1.731 117.191 119.800 -1.463 0.000 2.647 147 Q HA 0.635 4.978 4.340 0.005 0.000 0.283 147 Q C -0.406 175.414 176.000 -0.301 0.000 0.943 147 Q CA -0.752 54.554 55.803 -0.829 0.000 0.813 147 Q CB 1.575 30.098 28.738 -0.359 0.000 1.477 147 Q HN 1.442 nan 8.270 nan 0.000 0.393 148 C N -0.435 118.906 119.300 0.070 0.000 3.312 148 C HA 0.631 5.094 4.460 0.005 0.000 0.332 148 C C -1.531 173.592 174.990 0.221 0.000 1.340 148 C CA -0.872 58.289 59.018 0.240 0.000 1.265 148 C CB 1.464 29.499 27.740 0.491 0.000 1.563 148 C HN 0.887 nan 8.230 nan 0.000 0.471 149 N N 1.383 120.190 118.700 0.179 0.000 2.558 149 N HA 0.221 4.965 4.740 0.005 0.000 0.233 149 N C 0.195 175.818 175.510 0.189 0.000 1.038 149 N CA -0.279 52.865 53.050 0.157 0.000 0.934 149 N CB 0.806 39.349 38.487 0.094 0.000 1.175 149 N HN 0.782 nan 8.380 nan 0.000 0.512 150 F N 2.841 122.842 119.950 0.084 0.000 2.161 150 F HA -0.252 4.278 4.527 0.005 0.000 0.300 150 F C 2.529 178.366 175.800 0.061 0.000 1.089 150 F CA 1.764 59.801 58.000 0.061 0.000 1.282 150 F CB -0.110 38.849 39.000 -0.068 0.000 1.010 150 F HN 0.410 nan 8.300 nan 0.000 0.485 151 T N -2.271 112.322 114.554 0.065 0.000 2.746 151 T HA -0.208 4.145 4.350 0.005 0.000 0.267 151 T C 1.715 176.365 174.700 -0.083 0.000 1.039 151 T CA 1.745 63.824 62.100 -0.035 0.000 1.142 151 T CB -0.659 68.217 68.868 0.014 0.000 0.866 151 T HN 0.492 nan 8.240 nan 0.000 0.444 152 E N 0.899 121.082 120.200 -0.029 0.000 2.112 152 E HA -0.042 4.311 4.350 0.005 0.000 0.190 152 E C 1.827 178.412 176.600 -0.026 0.000 0.979 152 E CA 1.014 57.403 56.400 -0.018 0.000 0.814 152 E CB 0.011 29.720 29.700 0.015 0.000 0.762 152 E HN 0.514 nan 8.360 nan 0.000 0.460 153 D N -1.117 119.276 120.400 -0.012 0.000 2.305 153 D HA -0.033 4.610 4.640 0.005 0.000 0.206 153 D C 0.839 177.157 176.300 0.031 0.000 0.974 153 D CA 0.827 54.851 54.000 0.040 0.000 0.871 153 D CB 0.344 41.223 40.800 0.132 0.000 0.947 153 D HN 0.178 nan 8.370 nan 0.000 0.516 154 Y N -0.239 119.879 120.300 -0.303 0.000 3.006 154 Y HA 0.336 4.890 4.550 0.006 0.000 0.236 154 Y C 1.949 177.612 175.900 -0.396 0.000 1.088 154 Y CA 0.556 58.432 58.100 -0.373 0.000 1.307 154 Y CB -0.217 37.921 38.460 -0.536 0.000 1.445 154 Y HN -0.149 nan 8.280 nan 0.000 0.433 155 A N 0.882 123.390 122.820 -0.520 0.000 1.948 155 A HA -0.202 4.121 4.320 0.005 0.000 0.220 155 A C 1.804 179.323 177.584 -0.109 0.000 1.177 155 A CA 2.402 54.301 52.037 -0.230 0.000 0.636 155 A CB -0.582 18.314 19.000 -0.172 0.000 0.815 155 A HN 0.685 nan 8.150 nan 0.000 0.449 156 E N -0.819 119.303 120.200 -0.129 0.000 2.030 156 E HA -0.075 4.278 4.350 0.005 0.000 0.189 156 E C -0.573 175.972 176.600 -0.091 0.000 0.974 156 E CA 0.801 57.151 56.400 -0.084 0.000 0.807 156 E CB -0.602 29.061 29.700 -0.061 0.000 0.771 156 E HN 0.483 nan 8.360 nan 0.000 0.451 157 P HA -0.181 nan 4.420 nan 0.000 0.218 157 P C 1.334 178.574 177.300 -0.100 0.000 1.149 157 P CA 1.096 64.145 63.100 -0.084 0.000 0.817 157 P CB -0.066 31.595 31.700 -0.066 0.000 0.785 158 F N 2.671 122.395 119.950 -0.377 0.000 2.051 158 F HA -0.037 4.494 4.527 0.007 0.000 0.296 158 F C -0.928 174.764 175.800 -0.180 0.000 1.122 158 F CA 1.641 59.398 58.000 -0.404 0.000 1.201 158 F CB -1.926 36.540 39.000 -0.890 0.000 0.978 158 F HN -0.025 nan 8.300 nan 0.000 0.472 159 P HA -0.089 nan 4.420 nan 0.000 0.216 159 P C 2.057 179.252 177.300 -0.175 0.000 1.153 159 P CA 1.866 64.747 63.100 -0.365 0.000 0.844 159 P CB -0.088 31.519 31.700 -0.155 0.000 0.787 160 I N -0.816 119.691 120.570 -0.105 0.000 2.286 160 I HA -0.174 3.999 4.170 0.005 0.000 0.245 160 I C 2.538 178.661 176.117 0.009 0.000 1.104 160 I CA 1.274 62.561 61.300 -0.022 0.000 1.397 160 I CB -0.422 37.559 38.000 -0.030 0.000 1.072 160 I HN -0.166 nan 8.210 nan 0.000 0.417 161 R N 0.456 120.931 120.500 -0.042 0.000 2.096 161 R HA -0.111 4.232 4.340 0.005 0.000 0.235 161 R C 2.261 178.535 176.300 -0.043 0.000 1.127 161 R CA 1.126 57.209 56.100 -0.028 0.000 0.968 161 R CB -0.154 30.129 30.300 -0.029 0.000 0.861 161 R HN 0.286 nan 8.270 nan 0.000 0.440 162 I N 0.051 120.564 120.570 -0.095 0.000 2.252 162 I HA -0.249 3.924 4.170 0.005 0.000 0.245 162 I C 2.162 178.244 176.117 -0.059 0.000 1.102 162 I CA 1.200 62.437 61.300 -0.105 0.000 1.385 162 I CB -0.843 37.035 38.000 -0.203 0.000 1.064 162 I HN 0.062 nan 8.210 nan 0.000 0.414 163 F N 1.644 121.521 119.950 -0.121 0.000 2.095 163 F HA -0.258 4.272 4.527 0.005 0.000 0.298 163 F C 2.599 178.367 175.800 -0.052 0.000 1.104 163 F CA 1.658 59.608 58.000 -0.083 0.000 1.232 163 F CB -0.150 38.801 39.000 -0.083 0.000 0.987 163 F HN -0.068 nan 8.300 nan 0.000 0.475 164 M N -0.419 119.191 119.600 0.016 0.000 2.149 164 M HA -0.178 4.305 4.480 0.005 0.000 0.261 164 M C 2.294 178.523 176.300 -0.118 0.000 1.064 164 M CA 1.318 56.599 55.300 -0.033 0.000 1.102 164 M CB -1.585 31.043 32.600 0.047 0.000 1.369 164 M HN 0.358 nan 8.290 nan 0.000 0.408 165 L N 0.670 121.829 121.223 -0.107 0.000 1.994 165 L HA -0.174 4.169 4.340 0.005 0.000 0.208 165 L C 2.340 179.117 176.870 -0.155 0.000 1.071 165 L CA 1.491 56.270 54.840 -0.102 0.000 0.745 165 L CB -0.949 41.065 42.059 -0.074 0.000 0.892 165 L HN 0.234 nan 8.230 nan 0.000 0.431 166 L N 0.044 121.131 121.223 -0.228 0.000 2.042 166 L HA -0.116 4.227 4.340 0.005 0.000 0.210 166 L C 2.237 178.916 176.870 -0.318 0.000 1.076 166 L CA 2.192 56.873 54.840 -0.266 0.000 0.749 166 L CB -0.990 40.877 42.059 -0.320 0.000 0.893 166 L HN 0.294 nan 8.230 nan 0.000 0.432 167 A N -1.135 121.405 122.820 -0.466 0.000 2.251 167 A HA 0.396 4.719 4.320 0.005 0.000 0.209 167 A C 1.604 179.092 177.584 -0.160 0.000 1.187 167 A CA 0.518 52.334 52.037 -0.368 0.000 0.823 167 A CB -0.952 17.731 19.000 -0.528 0.000 0.846 167 A HN 0.902 nan 8.150 nan 0.000 0.486 168 G N -0.538 108.183 108.800 -0.131 0.000 2.273 168 G HA2 -0.212 3.751 3.960 0.005 0.000 0.280 168 G HA3 -0.212 3.751 3.960 0.005 0.000 0.280 168 G C -0.140 174.748 174.900 -0.020 0.000 1.047 168 G CA 0.568 45.630 45.100 -0.063 0.000 0.869 168 G HN 0.486 nan 8.290 nan 0.000 0.502 169 L N 0.450 121.673 121.223 -0.002 0.000 2.334 169 L HA 0.533 4.876 4.340 0.005 0.000 0.276 169 L C -1.776 175.134 176.870 0.067 0.000 1.014 169 L CA -2.514 52.370 54.840 0.074 0.000 0.815 169 L CB 2.020 44.173 42.059 0.156 0.000 1.268 169 L HN -0.067 nan 8.230 nan 0.000 0.428 170 P HA 0.104 nan 4.420 nan 0.000 0.275 170 P C -0.011 177.330 177.300 0.068 0.000 1.227 170 P CA -0.229 62.908 63.100 0.061 0.000 0.781 170 P CB 0.859 32.594 31.700 0.058 0.000 0.906 171 E N 1.128 121.355 120.200 0.045 0.000 2.265 171 E HA -0.204 4.149 4.350 0.005 0.000 0.196 171 E C 1.062 177.689 176.600 0.045 0.000 0.996 171 E CA 1.155 57.580 56.400 0.041 0.000 0.832 171 E CB -0.033 29.682 29.700 0.025 0.000 0.756 171 E HN 0.547 nan 8.360 nan 0.000 0.491 172 E N 0.691 120.920 120.200 0.048 0.000 2.333 172 E HA -0.149 4.204 4.350 0.005 0.000 0.198 172 E C 0.998 177.638 176.600 0.066 0.000 1.007 172 E CA 0.803 57.231 56.400 0.047 0.000 0.845 172 E CB 0.059 29.782 29.700 0.039 0.000 0.766 172 E HN 0.177 nan 8.360 nan 0.000 0.507 173 D N -0.461 119.994 120.400 0.092 0.000 2.349 173 D HA 0.051 4.694 4.640 0.005 0.000 0.215 173 D C 1.530 177.875 176.300 0.076 0.000 1.016 173 D CA 0.151 54.223 54.000 0.120 0.000 0.870 173 D CB 0.083 41.007 40.800 0.207 0.000 0.917 173 D HN 0.224 nan 8.370 nan 0.000 0.524 174 I N 1.484 122.087 120.570 0.055 0.000 2.127 174 I HA -0.216 3.957 4.170 0.005 0.000 0.241 174 I C -0.590 175.547 176.117 0.032 0.000 1.075 174 I CA 1.268 62.585 61.300 0.029 0.000 1.334 174 I CB -1.184 36.830 38.000 0.024 0.000 1.040 174 I HN 0.006 nan 8.210 nan 0.000 0.405 175 P HA -0.207 nan 4.420 nan 0.000 0.216 175 P C 1.426 178.788 177.300 0.103 0.000 1.150 175 P CA 1.622 64.761 63.100 0.066 0.000 0.837 175 P CB -0.085 31.650 31.700 0.058 0.000 0.786 176 H N -0.287 118.789 119.070 0.009 0.000 2.293 176 H HA -0.055 4.504 4.556 0.005 0.000 0.300 176 H C 1.803 177.131 175.328 -0.001 0.000 1.082 176 H CA 1.567 57.623 56.048 0.014 0.000 1.308 176 H CB -1.010 28.750 29.762 -0.003 0.000 1.375 176 H HN -0.051 nan 8.280 nan 0.000 0.495 177 L N -0.151 120.982 121.223 -0.150 0.000 2.093 177 L HA -0.126 4.217 4.340 0.005 0.000 0.208 177 L C 2.527 179.286 176.870 -0.186 0.000 1.085 177 L CA 1.536 56.213 54.840 -0.272 0.000 0.755 177 L CB -0.405 41.493 42.059 -0.268 0.000 0.904 177 L HN 0.209 nan 8.230 nan 0.000 0.435 178 K N -0.067 120.276 120.400 -0.095 0.000 2.097 178 K HA -0.240 4.083 4.320 0.005 0.000 0.205 178 K C 2.109 178.667 176.600 -0.070 0.000 1.050 178 K CA 1.452 57.695 56.287 -0.074 0.000 0.938 178 K CB -0.593 31.890 32.500 -0.030 0.000 0.718 178 K HN 0.185 nan 8.250 nan 0.000 0.442 179 Y N 0.935 121.161 120.300 -0.123 0.000 2.097 179 Y HA -0.218 4.335 4.550 0.005 0.000 0.282 179 Y C 1.652 177.463 175.900 -0.147 0.000 1.152 179 Y CA 2.139 60.170 58.100 -0.114 0.000 1.136 179 Y CB -0.316 38.084 38.460 -0.101 0.000 0.975 179 Y HN 0.022 nan 8.280 nan 0.000 0.498 180 L N -1.034 120.040 121.223 -0.248 0.000 2.046 180 L HA -0.268 4.075 4.340 0.005 0.000 0.208 180 L C 2.350 179.046 176.870 -0.291 0.000 1.077 180 L CA 1.897 56.552 54.840 -0.308 0.000 0.747 180 L CB -1.143 40.736 42.059 -0.299 0.000 0.896 180 L HN 0.229 nan 8.230 nan 0.000 0.432 181 T N -0.763 113.653 114.554 -0.231 0.000 2.684 181 T HA -0.207 4.146 4.350 0.005 0.000 0.267 181 T C 1.440 176.064 174.700 -0.127 0.000 1.036 181 T CA 1.757 63.761 62.100 -0.160 0.000 1.148 181 T CB -0.310 68.467 68.868 -0.151 0.000 0.863 181 T HN 0.305 nan 8.240 nan 0.000 0.436 182 D N 0.768 121.061 120.400 -0.179 0.000 2.218 182 D HA -0.058 4.585 4.640 0.005 0.000 0.204 182 D C 2.355 178.552 176.300 -0.171 0.000 0.976 182 D CA 0.665 54.575 54.000 -0.150 0.000 0.853 182 D CB -0.221 40.477 40.800 -0.170 0.000 0.939 182 D HN 0.258 nan 8.370 nan 0.000 0.481 183 Q N -0.599 119.022 119.800 -0.298 0.000 2.297 183 Q HA 0.081 4.424 4.340 0.005 0.000 0.204 183 Q C 1.956 177.922 176.000 -0.057 0.000 0.962 183 Q CA 0.497 56.156 55.803 -0.241 0.000 0.879 183 Q CB -0.140 28.387 28.738 -0.351 0.000 0.947 183 Q HN 0.437 nan 8.270 nan 0.000 0.462 184 M N -0.390 119.210 119.600 -0.000 0.000 2.514 184 M HA -0.026 4.457 4.480 0.005 0.000 0.258 184 M C 1.437 178.007 176.300 0.449 0.000 1.119 184 M CA 1.357 56.810 55.300 0.255 0.000 1.111 184 M CB 0.231 32.922 32.600 0.151 0.000 1.390 184 M HN 0.226 nan 8.290 nan 0.000 0.475 185 T N -2.959 111.741 114.554 0.243 0.000 3.019 185 T HA 0.228 4.581 4.350 0.005 0.000 0.247 185 T C 1.056 175.896 174.700 0.234 0.000 0.992 185 T CA -0.273 61.961 62.100 0.223 0.000 1.036 185 T CB 0.287 69.244 68.868 0.148 0.000 1.063 185 T HN 0.218 nan 8.240 nan 0.000 0.476 186 R N 2.192 122.781 120.500 0.149 0.000 2.674 186 R HA 0.324 4.667 4.340 0.005 0.000 0.270 186 R C -2.980 173.336 176.300 0.027 0.000 1.492 186 R CA -1.599 54.589 56.100 0.147 0.000 1.624 186 R CB 1.203 31.574 30.300 0.119 0.000 1.307 186 R HN 0.345 nan 8.270 nan 0.000 0.683 187 P HA -0.063 nan 4.420 nan 0.000 0.264 187 P C -0.148 177.110 177.300 -0.071 0.000 1.183 187 P CA 0.341 63.387 63.100 -0.090 0.000 0.763 187 P CB 0.779 32.403 31.700 -0.125 0.000 0.807 188 D N 1.675 122.046 120.400 -0.049 0.000 2.349 188 D HA 0.050 4.693 4.640 0.005 0.000 0.215 188 D C 1.401 177.703 176.300 0.003 0.000 1.016 188 D CA 0.656 54.655 54.000 -0.001 0.000 0.870 188 D CB -0.364 40.463 40.800 0.046 0.000 0.917 188 D HN 0.604 nan 8.370 nan 0.000 0.524 189 G N 0.014 108.806 108.800 -0.014 0.000 2.232 189 G HA2 -0.348 3.615 3.960 0.005 0.000 0.226 189 G HA3 -0.348 3.615 3.960 0.005 0.000 0.226 189 G C 1.285 176.196 174.900 0.018 0.000 0.996 189 G CA 0.683 45.778 45.100 -0.009 0.000 0.626 189 G HN 0.619 nan 8.290 nan 0.000 0.509 190 S N -0.549 115.182 115.700 0.051 0.000 2.428 190 S HA 0.419 4.893 4.470 0.005 0.000 0.230 190 S C 1.039 175.680 174.600 0.068 0.000 1.014 190 S CA 1.232 59.477 58.200 0.076 0.000 0.957 190 S CB 0.071 63.355 63.200 0.140 0.000 0.784 190 S HN 0.528 nan 8.310 nan 0.000 0.499 191 M N 2.245 121.875 119.600 0.050 0.000 2.393 191 M HA 0.329 4.812 4.480 0.005 0.000 0.299 191 M C -0.401 175.902 176.300 0.005 0.000 1.103 191 M CA -0.584 54.733 55.300 0.028 0.000 0.910 191 M CB 2.545 35.159 32.600 0.024 0.000 1.659 191 M HN 0.252 nan 8.290 nan 0.000 0.445 192 T N -1.117 113.446 114.554 0.015 0.000 2.813 192 T HA 0.163 4.516 4.350 0.005 0.000 0.297 192 T C 0.822 175.555 174.700 0.054 0.000 1.036 192 T CA -0.373 61.753 62.100 0.044 0.000 1.044 192 T CB 0.721 69.623 68.868 0.056 0.000 0.993 192 T HN 0.581 nan 8.240 nan 0.000 0.535 193 F N 1.664 121.602 119.950 -0.020 0.000 2.091 193 F HA -0.041 4.489 4.527 0.005 0.000 0.299 193 F C 2.537 178.297 175.800 -0.066 0.000 1.103 193 F CA 1.940 59.930 58.000 -0.015 0.000 1.228 193 F CB -0.995 38.032 39.000 0.046 0.000 0.984 193 F HN 0.744 nan 8.300 nan 0.000 0.477 194 A N -0.060 122.851 122.820 0.151 0.000 1.902 194 A HA -0.210 4.113 4.320 0.005 0.000 0.217 194 A C 2.102 179.625 177.584 -0.102 0.000 1.181 194 A CA 1.912 53.967 52.037 0.030 0.000 0.623 194 A CB -0.899 18.154 19.000 0.088 0.000 0.818 194 A HN 0.577 nan 8.150 nan 0.000 0.443 195 E N -0.348 119.813 120.200 -0.066 0.000 2.072 195 E HA -0.070 4.283 4.350 0.005 0.000 0.191 195 E C 2.308 178.832 176.600 -0.126 0.000 0.985 195 E CA 0.960 57.322 56.400 -0.064 0.000 0.801 195 E CB -0.269 29.422 29.700 -0.016 0.000 0.750 195 E HN 0.622 nan 8.360 nan 0.000 0.452 196 A N 1.577 124.275 122.820 -0.204 0.000 1.898 196 A HA -0.214 4.109 4.320 0.005 0.000 0.216 196 A C 2.055 179.413 177.584 -0.377 0.000 1.181 196 A CA 1.477 53.356 52.037 -0.264 0.000 0.620 196 A CB -0.347 18.471 19.000 -0.303 0.000 0.819 196 A HN 0.053 nan 8.150 nan 0.000 0.442 197 K N -0.494 119.548 120.400 -0.597 0.000 2.032 197 K HA -0.192 4.132 4.320 0.005 0.000 0.209 197 K C 1.782 178.019 176.600 -0.604 0.000 1.048 197 K CA 1.607 57.445 56.287 -0.748 0.000 0.927 197 K CB -0.138 31.781 32.500 -0.968 0.000 0.712 197 K HN 0.347 nan 8.250 nan 0.000 0.441 198 E N 0.177 120.183 120.200 -0.324 0.000 2.150 198 E HA -0.140 4.214 4.350 0.005 0.000 0.193 198 E C 1.829 178.418 176.600 -0.018 0.000 0.985 198 E CA 1.046 57.386 56.400 -0.100 0.000 0.814 198 E CB -0.136 29.554 29.700 -0.016 0.000 0.752 198 E HN 0.432 nan 8.360 nan 0.000 0.466 199 A N 0.947 123.736 122.820 -0.052 0.000 1.930 199 A HA -0.117 4.206 4.320 0.005 0.000 0.217 199 A C 2.223 179.850 177.584 0.072 0.000 1.175 199 A CA 0.908 52.968 52.037 0.038 0.000 0.627 199 A CB -0.485 18.533 19.000 0.030 0.000 0.815 199 A HN 0.232 nan 8.150 nan 0.000 0.443 200 L N -1.341 119.850 121.223 -0.054 0.000 2.046 200 L HA -0.145 4.198 4.340 0.005 0.000 0.208 200 L C 2.284 179.279 176.870 0.208 0.000 1.077 200 L CA 1.878 56.718 54.840 -0.001 0.000 0.747 200 L CB -0.798 41.181 42.059 -0.134 0.000 0.896 200 L HN 0.467 nan 8.230 nan 0.000 0.432 201 Y N -0.349 120.006 120.300 0.092 0.000 2.224 201 Y HA -0.225 4.328 4.550 0.005 0.000 0.289 201 Y C 2.555 178.516 175.900 0.102 0.000 1.146 201 Y CA 1.186 59.342 58.100 0.092 0.000 1.182 201 Y CB -1.115 37.372 38.460 0.044 0.000 0.983 201 Y HN 0.393 nan 8.280 nan 0.000 0.524 202 D N -1.100 119.458 120.400 0.263 0.000 2.144 202 D HA -0.256 4.387 4.640 0.005 0.000 0.199 202 D C 2.157 178.574 176.300 0.194 0.000 0.984 202 D CA 1.132 55.243 54.000 0.186 0.000 0.834 202 D CB -0.397 40.497 40.800 0.156 0.000 0.955 202 D HN 0.357 nan 8.370 nan 0.000 0.465 203 Y N 0.409 120.789 120.300 0.132 0.000 2.145 203 Y HA -0.080 4.473 4.550 0.005 0.000 0.286 203 Y C 1.952 177.914 175.900 0.103 0.000 1.145 203 Y CA 1.503 59.677 58.100 0.124 0.000 1.148 203 Y CB -0.170 38.388 38.460 0.164 0.000 0.981 203 Y HN 0.009 nan 8.280 nan 0.000 0.507 204 L N -0.629 120.759 121.223 0.276 0.000 2.179 204 L HA -0.145 4.199 4.340 0.005 0.000 0.208 204 L C 2.327 179.227 176.870 0.050 0.000 1.096 204 L CA 0.784 55.728 54.840 0.173 0.000 0.779 204 L CB -0.442 41.778 42.059 0.268 0.000 0.922 204 L HN 0.266 nan 8.230 nan 0.000 0.443 205 I N 0.353 120.956 120.570 0.055 0.000 2.113 205 I HA -0.270 3.903 4.170 0.005 0.000 0.242 205 I C -0.325 175.780 176.117 -0.020 0.000 1.064 205 I CA 1.849 63.156 61.300 0.011 0.000 1.320 205 I CB -1.364 36.647 38.000 0.019 0.000 1.028 205 I HN 0.243 nan 8.210 nan 0.000 0.406 206 P HA -0.099 nan 4.420 nan 0.000 0.219 206 P C 1.817 179.076 177.300 -0.069 0.000 1.150 206 P CA 1.484 64.549 63.100 -0.057 0.000 0.814 206 P CB -0.053 31.601 31.700 -0.076 0.000 0.787 207 I N -1.144 119.368 120.570 -0.097 0.000 2.252 207 I HA -0.202 3.971 4.170 0.005 0.000 0.245 207 I C 2.313 178.406 176.117 -0.040 0.000 1.102 207 I CA 1.323 62.571 61.300 -0.087 0.000 1.385 207 I CB -0.536 37.391 38.000 -0.122 0.000 1.064 207 I HN -0.151 nan 8.210 nan 0.000 0.414 208 I N 0.509 121.066 120.570 -0.022 0.000 2.226 208 I HA -0.270 3.903 4.170 0.005 0.000 0.245 208 I C 2.604 178.711 176.117 -0.016 0.000 1.100 208 I CA 1.253 62.548 61.300 -0.009 0.000 1.374 208 I CB -0.237 37.762 38.000 -0.001 0.000 1.057 208 I HN 0.203 nan 8.210 nan 0.000 0.413 209 E N 0.734 120.921 120.200 -0.021 0.000 2.051 209 E HA -0.272 4.081 4.350 0.005 0.000 0.192 209 E C 2.169 178.756 176.600 -0.021 0.000 0.991 209 E CA 1.391 57.779 56.400 -0.020 0.000 0.799 209 E CB -0.196 29.491 29.700 -0.021 0.000 0.748 209 E HN 0.255 nan 8.360 nan 0.000 0.449 210 Q N 0.404 120.188 119.800 -0.027 0.000 2.096 210 Q HA -0.157 4.187 4.340 0.005 0.000 0.204 210 Q C 1.996 177.983 176.000 -0.022 0.000 0.982 210 Q CA 1.727 57.514 55.803 -0.027 0.000 0.850 210 Q CB -0.072 28.644 28.738 -0.036 0.000 0.901 210 Q HN 0.291 nan 8.270 nan 0.000 0.422 211 R N -0.774 119.714 120.500 -0.021 0.000 2.276 211 R HA 0.093 4.437 4.340 0.005 0.000 0.196 211 R C 2.257 178.550 176.300 -0.013 0.000 0.961 211 R CA 0.225 56.314 56.100 -0.017 0.000 1.024 211 R CB 0.123 30.413 30.300 -0.016 0.000 0.940 211 R HN 0.129 nan 8.270 nan 0.000 0.480 212 R N 0.180 120.674 120.500 -0.011 0.000 2.119 212 R HA -0.012 4.331 4.340 0.005 0.000 0.222 212 R C 2.043 178.337 176.300 -0.010 0.000 1.088 212 R CA 0.779 56.874 56.100 -0.009 0.000 0.984 212 R CB 0.108 30.404 30.300 -0.007 0.000 0.884 212 R HN 0.130 nan 8.270 nan 0.000 0.447 213 Q N 0.705 120.497 119.800 -0.012 0.000 2.083 213 Q HA -0.004 4.339 4.340 0.005 0.000 0.198 213 Q C 0.296 176.288 176.000 -0.012 0.000 0.969 213 Q CA 1.307 57.103 55.803 -0.012 0.000 0.838 213 Q CB 0.315 29.045 28.738 -0.013 0.000 0.900 213 Q HN 0.149 nan 8.270 nan 0.000 0.436 214 K N 1.155 121.546 120.400 -0.014 0.000 2.624 214 K HA 0.347 4.670 4.320 0.005 0.000 0.200 214 K C -2.583 174.008 176.600 -0.014 0.000 1.036 214 K CA -1.615 54.664 56.287 -0.014 0.000 1.029 214 K CB 1.666 34.157 32.500 -0.015 0.000 1.317 214 K HN -0.049 nan 8.250 nan 0.000 0.555 215 P HA 0.000 nan 4.420 nan 0.000 0.268 215 P C 0.070 177.361 177.300 -0.015 0.000 1.204 215 P CA 0.079 63.171 63.100 -0.014 0.000 0.768 215 P CB 1.149 32.842 31.700 -0.012 0.000 0.842 216 G N 0.823 109.613 108.800 -0.018 0.000 3.212 216 G HA2 0.441 4.404 3.960 0.005 0.000 0.188 216 G HA3 0.441 4.404 3.960 0.005 0.000 0.188 216 G C 0.503 175.390 174.900 -0.022 0.000 1.254 216 G CA -0.166 44.922 45.100 -0.020 0.000 0.957 216 G HN 0.389 nan 8.290 nan 0.000 0.596 217 T N -1.399 113.139 114.554 -0.026 0.000 3.022 217 T HA 0.160 4.513 4.350 0.005 0.000 0.250 217 T C 0.670 175.346 174.700 -0.039 0.000 1.060 217 T CA 0.609 62.691 62.100 -0.029 0.000 1.013 217 T CB -0.220 68.631 68.868 -0.029 0.000 0.982 217 T HN 0.595 nan 8.240 nan 0.000 0.508 218 D N 1.335 121.708 120.400 -0.045 0.000 2.371 218 D HA 0.313 4.956 4.640 0.005 0.000 0.242 218 D C 1.419 177.680 176.300 -0.065 0.000 1.218 218 D CA -0.022 53.938 54.000 -0.066 0.000 0.945 218 D CB 1.437 42.196 40.800 -0.068 0.000 1.137 218 D HN 0.124 nan 8.370 nan 0.000 0.464 219 A N 1.181 123.943 122.820 -0.098 0.000 1.933 219 A HA -0.124 4.199 4.320 0.005 0.000 0.218 219 A C 2.370 179.933 177.584 -0.036 0.000 1.175 219 A CA 0.945 52.936 52.037 -0.078 0.000 0.628 219 A CB -0.713 18.207 19.000 -0.133 0.000 0.814 219 A HN 0.662 nan 8.150 nan 0.000 0.444 220 I N -1.001 119.548 120.570 -0.034 0.000 2.252 220 I HA -0.191 3.982 4.170 0.005 0.000 0.245 220 I C 2.783 178.900 176.117 0.000 0.000 1.102 220 I CA 1.448 62.750 61.300 0.003 0.000 1.385 220 I CB -0.256 37.755 38.000 0.018 0.000 1.064 220 I HN 0.376 nan 8.210 nan 0.000 0.414 221 S N 0.823 116.515 115.700 -0.013 0.000 2.382 221 S HA -0.114 4.359 4.470 0.005 0.000 0.228 221 S C 2.047 176.643 174.600 -0.007 0.000 1.027 221 S CA 1.014 59.207 58.200 -0.011 0.000 0.991 221 S CB -0.079 63.111 63.200 -0.018 0.000 0.823 221 S HN 0.224 nan 8.310 nan 0.000 0.469 222 I N 1.327 121.891 120.570 -0.010 0.000 2.202 222 I HA -0.065 4.108 4.170 0.005 0.000 0.242 222 I C 2.395 178.517 176.117 0.008 0.000 1.091 222 I CA 0.912 62.209 61.300 -0.005 0.000 1.368 222 I CB -1.558 36.435 38.000 -0.010 0.000 1.058 222 I HN 0.192 nan 8.210 nan 0.000 0.410 223 V N 1.488 121.413 119.914 0.017 0.000 2.295 223 V HA -0.235 3.888 4.120 0.005 0.000 0.246 223 V C 2.800 178.915 176.094 0.034 0.000 1.049 223 V CA 1.882 64.204 62.300 0.036 0.000 1.024 223 V CB -1.141 30.711 31.823 0.048 0.000 0.648 223 V HN 0.454 nan 8.190 nan 0.000 0.447 224 A N -0.077 122.757 122.820 0.023 0.000 2.015 224 A HA -0.144 4.180 4.320 0.005 0.000 0.219 224 A C 1.815 179.407 177.584 0.013 0.000 1.163 224 A CA 1.604 53.652 52.037 0.018 0.000 0.646 224 A CB -0.415 18.591 19.000 0.010 0.000 0.806 224 A HN 0.621 nan 8.150 nan 0.000 0.448 225 N N -0.131 118.574 118.700 0.008 0.000 2.203 225 N HA 0.106 4.849 4.740 0.005 0.000 0.207 225 N C 0.743 176.255 175.510 0.003 0.000 1.130 225 N CA 0.571 53.623 53.050 0.003 0.000 0.861 225 N CB 0.551 39.036 38.487 -0.003 0.000 1.005 225 N HN 0.403 nan 8.380 nan 0.000 0.507 226 G N 0.216 109.022 108.800 0.010 0.000 2.580 226 G HA2 0.358 4.321 3.960 0.005 0.000 0.278 226 G HA3 0.358 4.321 3.960 0.005 0.000 0.278 226 G C -0.285 174.614 174.900 -0.003 0.000 1.212 226 G CA -0.215 44.888 45.100 0.005 0.000 0.939 226 G HN 0.078 nan 8.290 nan 0.000 0.513 227 Q N -1.499 118.290 119.800 -0.020 0.000 2.377 227 Q HA 0.535 4.878 4.340 0.005 0.000 0.271 227 Q C -0.882 175.072 176.000 -0.077 0.000 1.077 227 Q CA -0.932 54.846 55.803 -0.041 0.000 0.820 227 Q CB 2.796 31.510 28.738 -0.041 0.000 1.347 227 Q HN 0.504 nan 8.270 nan 0.000 0.444 228 V N -0.497 119.340 119.914 -0.128 0.000 2.483 228 V HA 0.423 4.547 4.120 0.005 0.000 0.297 228 V C -0.298 175.672 176.094 -0.206 0.000 1.027 228 V CA -1.137 61.020 62.300 -0.238 0.000 0.855 228 V CB 1.418 32.940 31.823 -0.501 0.000 0.995 228 V HN 0.807 nan 8.190 nan 0.000 0.424 229 N N 3.484 122.080 118.700 -0.174 0.000 2.702 229 N HA -0.200 4.543 4.740 0.005 0.000 0.255 229 N C 1.332 176.787 175.510 -0.091 0.000 0.983 229 N CA 2.019 54.995 53.050 -0.123 0.000 0.768 229 N CB -1.120 37.289 38.487 -0.129 0.000 0.918 229 N HN 2.022 nan 8.380 nan 0.000 0.540 230 G N -1.801 106.952 108.800 -0.077 0.000 2.159 230 G HA2 -0.359 3.604 3.960 0.005 0.000 0.256 230 G HA3 -0.359 3.604 3.960 0.005 0.000 0.256 230 G C 0.035 174.906 174.900 -0.048 0.000 0.977 230 G CA 0.693 45.760 45.100 -0.054 0.000 0.652 230 G HN 0.886 nan 8.290 nan 0.000 0.531 231 R N -0.812 119.653 120.500 -0.058 0.000 2.854 231 R HA 0.799 5.142 4.340 0.005 0.000 0.271 231 R C -3.261 173.016 176.300 -0.038 0.000 0.994 231 R CA -2.562 53.512 56.100 -0.043 0.000 0.945 231 R CB 0.411 30.687 30.300 -0.040 0.000 1.194 231 R HN 0.056 nan 8.270 nan 0.000 0.476 232 P HA 0.097 nan 4.420 nan 0.000 0.271 232 P C -0.334 176.969 177.300 0.005 0.000 1.216 232 P CA -0.295 62.800 63.100 -0.009 0.000 0.776 232 P CB 0.527 32.226 31.700 -0.003 0.000 0.881 233 I N 2.397 122.979 120.570 0.020 0.000 2.634 233 I HA 0.066 4.239 4.170 0.005 0.000 0.284 233 I C 0.798 176.947 176.117 0.053 0.000 1.124 233 I CA 0.091 61.429 61.300 0.062 0.000 1.417 233 I CB 0.757 38.809 38.000 0.085 0.000 1.396 233 I HN 0.417 nan 8.210 nan 0.000 0.571 234 T N 2.287 116.881 114.554 0.068 0.000 2.849 234 T HA 0.177 4.530 4.350 0.005 0.000 0.284 234 T C 1.084 175.797 174.700 0.021 0.000 1.004 234 T CA -0.524 61.598 62.100 0.037 0.000 1.021 234 T CB 1.531 70.419 68.868 0.033 0.000 1.013 234 T HN 0.654 nan 8.240 nan 0.000 0.527 235 S N 0.641 116.342 115.700 0.001 0.000 2.370 235 S HA -0.151 4.322 4.470 0.005 0.000 0.226 235 S C 1.690 176.265 174.600 -0.043 0.000 1.033 235 S CA 1.708 59.898 58.200 -0.016 0.000 1.011 235 S CB -0.681 62.506 63.200 -0.021 0.000 0.852 235 S HN 0.989 nan 8.310 nan 0.000 0.457 236 D N 0.909 121.278 120.400 -0.052 0.000 2.097 236 D HA -0.146 4.497 4.640 0.005 0.000 0.195 236 D C 1.900 178.139 176.300 -0.101 0.000 0.989 236 D CA 1.395 55.337 54.000 -0.098 0.000 0.827 236 D CB -0.129 40.626 40.800 -0.075 0.000 0.966 236 D HN 0.462 nan 8.370 nan 0.000 0.456 237 E N -0.170 120.008 120.200 -0.037 0.000 2.077 237 E HA -0.127 4.226 4.350 0.005 0.000 0.193 237 E C 2.185 178.782 176.600 -0.006 0.000 0.989 237 E CA 0.914 57.300 56.400 -0.023 0.000 0.800 237 E CB -0.195 29.567 29.700 0.104 0.000 0.746 237 E HN 0.394 nan 8.360 nan 0.000 0.452 238 A N 1.842 124.672 122.820 0.016 0.000 1.883 238 A HA -0.265 4.058 4.320 0.005 0.000 0.217 238 A C 2.086 179.673 177.584 0.005 0.000 1.186 238 A CA 1.740 53.793 52.037 0.027 0.000 0.624 238 A CB -0.438 18.576 19.000 0.023 0.000 0.822 238 A HN 0.077 nan 8.150 nan 0.000 0.444 239 K N -0.386 119.982 120.400 -0.054 0.000 2.057 239 K HA -0.162 4.161 4.320 0.005 0.000 0.207 239 K C 2.217 178.781 176.600 -0.060 0.000 1.049 239 K CA 1.515 57.745 56.287 -0.095 0.000 0.931 239 K CB -0.187 32.155 32.500 -0.262 0.000 0.714 239 K HN 0.451 nan 8.250 nan 0.000 0.440 240 R N -0.132 120.304 120.500 -0.107 0.000 2.148 240 R HA -0.016 4.327 4.340 0.005 0.000 0.227 240 R C 2.396 178.794 176.300 0.163 0.000 1.103 240 R CA 1.433 57.585 56.100 0.087 0.000 0.983 240 R CB -0.104 30.182 30.300 -0.023 0.000 0.874 240 R HN 0.289 nan 8.270 nan 0.000 0.451 241 M N -0.642 118.991 119.600 0.055 0.000 2.160 241 M HA -0.143 4.340 4.480 0.005 0.000 0.264 241 M C 2.342 178.661 176.300 0.032 0.000 1.073 241 M CA 1.216 56.541 55.300 0.042 0.000 1.142 241 M CB -0.161 32.476 32.600 0.062 0.000 1.358 241 M HN 0.244 nan 8.290 nan 0.000 0.422 242 C N 0.412 119.751 119.300 0.065 0.000 2.425 242 C HA -0.077 4.386 4.460 0.005 0.000 0.277 242 C C 2.868 177.889 174.990 0.052 0.000 1.280 242 C CA 1.083 60.153 59.018 0.086 0.000 1.744 242 C CB -1.763 26.045 27.740 0.113 0.000 1.989 242 C HN 0.756 nan 8.230 nan 0.000 0.491 243 G N 0.337 109.185 108.800 0.080 0.000 2.446 243 G HA2 -0.225 3.738 3.960 0.005 0.000 0.217 243 G HA3 -0.225 3.738 3.960 0.005 0.000 0.217 243 G C 1.510 176.011 174.900 -0.665 0.000 1.168 243 G CA 1.018 46.081 45.100 -0.061 0.000 0.771 243 G HN 0.455 nan 8.290 nan 0.000 0.551 244 L N 0.525 121.246 121.223 -0.837 0.000 2.046 244 L HA 0.094 4.437 4.340 0.005 0.000 0.208 244 L C 2.737 179.373 176.870 -0.390 0.000 1.077 244 L CA 1.322 55.654 54.840 -0.847 0.000 0.747 244 L CB -0.462 41.330 42.059 -0.444 0.000 0.896 244 L HN 0.227 nan 8.230 nan 0.000 0.432 245 L N -1.467 119.644 121.223 -0.186 0.000 2.083 245 L HA -0.251 4.092 4.340 0.005 0.000 0.209 245 L C 2.532 179.234 176.870 -0.281 0.000 1.083 245 L CA 1.205 56.009 54.840 -0.059 0.000 0.752 245 L CB -0.595 41.567 42.059 0.171 0.000 0.899 245 L HN 0.297 nan 8.230 nan 0.000 0.433 246 L N -0.899 120.174 121.223 -0.250 0.000 2.017 246 L HA -0.215 4.128 4.340 0.005 0.000 0.208 246 L C 2.506 179.071 176.870 -0.509 0.000 1.073 246 L CA 1.033 55.603 54.840 -0.449 0.000 0.745 246 L CB -0.330 41.640 42.059 -0.148 0.000 0.894 246 L HN 0.039 nan 8.230 nan 0.000 0.432 247 V N -0.272 119.410 119.914 -0.388 0.000 2.295 247 V HA -0.228 3.896 4.120 0.005 0.000 0.246 247 V C 2.575 178.519 176.094 -0.249 0.000 1.049 247 V CA 1.989 64.122 62.300 -0.278 0.000 1.024 247 V CB -1.342 30.349 31.823 -0.220 0.000 0.648 247 V HN 0.593 nan 8.190 nan 0.000 0.447 248 G N 0.066 108.709 108.800 -0.262 0.000 2.418 248 G HA2 -0.165 3.798 3.960 0.005 0.000 0.217 248 G HA3 -0.165 3.798 3.960 0.005 0.000 0.217 248 G C 1.606 176.339 174.900 -0.278 0.000 1.158 248 G CA 0.957 45.942 45.100 -0.191 0.000 0.771 248 G HN 0.597 nan 8.290 nan 0.000 0.545 249 G N 0.158 108.607 108.800 -0.586 0.000 2.422 249 G HA2 0.036 3.999 3.960 0.005 0.000 0.218 249 G HA3 0.036 3.999 3.960 0.005 0.000 0.218 249 G C 1.455 176.083 174.900 -0.453 0.000 1.140 249 G CA 0.551 45.216 45.100 -0.725 0.000 0.775 249 G HN 0.348 nan 8.290 nan 0.000 0.545 250 L N -0.480 120.494 121.223 -0.416 0.000 2.616 250 L HA 0.374 4.717 4.340 0.005 0.000 0.229 250 L C 0.684 177.470 176.870 -0.140 0.000 1.110 250 L CA 0.640 55.337 54.840 -0.239 0.000 0.884 250 L CB 0.757 42.677 42.059 -0.232 0.000 1.115 250 L HN 0.084 nan 8.230 nan 0.000 0.481 251 D N -2.333 117.997 120.400 -0.118 0.000 2.822 251 D HA 0.085 4.729 4.640 0.005 0.000 0.327 251 D C 1.108 177.404 176.300 -0.007 0.000 1.577 251 D CA 0.875 54.845 54.000 -0.050 0.000 0.785 251 D CB 0.534 41.311 40.800 -0.039 0.000 1.199 251 D HN 0.208 nan 8.370 nan 0.000 0.443 252 T N -4.036 110.517 114.554 -0.002 0.000 3.478 252 T HA 0.088 4.441 4.350 0.005 0.000 0.223 252 T C 1.828 176.592 174.700 0.106 0.000 0.958 252 T CA 0.580 62.708 62.100 0.046 0.000 1.324 252 T CB -0.552 68.338 68.868 0.036 0.000 1.262 252 T HN -0.157 nan 8.240 nan 0.000 0.379 253 V N 2.394 122.372 119.914 0.107 0.000 2.392 253 V HA -0.143 3.981 4.120 0.005 0.000 0.249 253 V C 2.931 179.140 176.094 0.192 0.000 1.059 253 V CA 1.476 63.892 62.300 0.192 0.000 1.051 253 V CB -0.992 30.924 31.823 0.156 0.000 0.658 253 V HN 0.412 nan 8.190 nan 0.000 0.455 254 V N 0.973 120.942 119.914 0.091 0.000 2.278 254 V HA -0.321 3.802 4.120 0.005 0.000 0.251 254 V C 2.297 178.419 176.094 0.047 0.000 1.062 254 V CA 2.497 64.828 62.300 0.051 0.000 1.038 254 V CB -0.771 31.047 31.823 -0.009 0.000 0.646 254 V HN 0.644 nan 8.190 nan 0.000 0.447 255 N N -0.844 117.884 118.700 0.046 0.000 2.207 255 N HA -0.097 4.647 4.740 0.005 0.000 0.182 255 N C 1.786 177.288 175.510 -0.013 0.000 1.020 255 N CA 1.364 54.392 53.050 -0.037 0.000 0.858 255 N CB -0.353 38.138 38.487 0.007 0.000 0.991 255 N HN 0.520 nan 8.380 nan 0.000 0.427 256 F N 2.483 122.476 119.950 0.073 0.000 2.171 256 F HA -0.023 4.508 4.527 0.006 0.000 0.300 256 F C 2.122 177.993 175.800 0.119 0.000 1.090 256 F CA 0.866 58.972 58.000 0.176 0.000 1.293 256 F CB -0.304 38.773 39.000 0.128 0.000 1.013 256 F HN -0.096 nan 8.300 nan 0.000 0.486 257 L N -0.705 120.585 121.223 0.112 0.000 2.079 257 L HA -0.268 4.075 4.340 0.005 0.000 0.210 257 L C 2.514 179.367 176.870 -0.029 0.000 1.081 257 L CA 1.559 56.457 54.840 0.096 0.000 0.752 257 L CB -0.933 41.346 42.059 0.366 0.000 0.896 257 L HN 0.089 nan 8.230 nan 0.000 0.433 258 S N -0.639 115.038 115.700 -0.039 0.000 2.383 258 S HA -0.093 4.381 4.470 0.005 0.000 0.227 258 S C 1.744 176.102 174.600 -0.402 0.000 1.026 258 S CA 1.020 59.132 58.200 -0.147 0.000 0.981 258 S CB -0.267 62.847 63.200 -0.143 0.000 0.818 258 S HN 0.212 nan 8.310 nan 0.000 0.472 259 F N 2.594 122.290 119.950 -0.423 0.000 2.134 259 F HA -0.137 4.393 4.527 0.005 0.000 0.299 259 F C 2.900 178.145 175.800 -0.924 0.000 1.097 259 F CA 1.203 58.807 58.000 -0.660 0.000 1.264 259 F CB -1.101 37.514 39.000 -0.643 0.000 1.001 259 F HN 0.246 nan 8.300 nan 0.000 0.479 260 S N -0.759 114.525 115.700 -0.694 0.000 2.383 260 S HA -0.157 4.316 4.470 0.005 0.000 0.227 260 S C 1.977 176.359 174.600 -0.364 0.000 1.026 260 S CA 0.982 58.834 58.200 -0.580 0.000 0.981 260 S CB -0.418 62.460 63.200 -0.538 0.000 0.818 260 S HN 0.176 nan 8.310 nan 0.000 0.472 261 M N 1.638 120.946 119.600 -0.488 0.000 2.288 261 M HA 0.120 4.603 4.480 0.005 0.000 0.266 261 M C 2.337 178.414 176.300 -0.370 0.000 1.072 261 M CA 1.204 56.145 55.300 -0.600 0.000 1.132 261 M CB -1.214 30.564 32.600 -1.370 0.000 1.386 261 M HN 0.593 nan 8.290 nan 0.000 0.432 262 E N 0.033 120.036 120.200 -0.329 0.000 2.051 262 E HA -0.238 4.115 4.350 0.005 0.000 0.192 262 E C 1.992 178.517 176.600 -0.124 0.000 0.991 262 E CA 1.277 57.574 56.400 -0.172 0.000 0.799 262 E CB -0.200 29.445 29.700 -0.093 0.000 0.748 262 E HN 0.348 nan 8.360 nan 0.000 0.449 263 F N 1.445 121.202 119.950 -0.322 0.000 2.095 263 F HA -0.187 4.344 4.527 0.007 0.000 0.298 263 F C 1.992 177.701 175.800 -0.152 0.000 1.104 263 F CA 1.489 59.351 58.000 -0.229 0.000 1.232 263 F CB -0.270 38.541 39.000 -0.314 0.000 0.987 263 F HN 0.007 nan 8.300 nan 0.000 0.475 264 L N -0.047 121.069 121.223 -0.180 0.000 2.083 264 L HA -0.178 4.165 4.340 0.005 0.000 0.209 264 L C 2.776 179.384 176.870 -0.436 0.000 1.083 264 L CA 1.064 55.756 54.840 -0.247 0.000 0.752 264 L CB -1.174 40.904 42.059 0.032 0.000 0.899 264 L HN 0.277 nan 8.230 nan 0.000 0.433 265 A N 0.037 122.684 122.820 -0.289 0.000 2.019 265 A HA -0.186 4.137 4.320 0.005 0.000 0.219 265 A C 2.157 179.564 177.584 -0.295 0.000 1.164 265 A CA 1.478 53.322 52.037 -0.322 0.000 0.644 265 A CB -0.241 18.771 19.000 0.019 0.000 0.805 265 A HN 0.359 nan 8.150 nan 0.000 0.449 266 K N -0.892 119.330 120.400 -0.297 0.000 2.374 266 K HA 0.159 4.482 4.320 0.005 0.000 0.196 266 K C 0.134 176.542 176.600 -0.320 0.000 1.023 266 K CA 0.377 56.514 56.287 -0.249 0.000 1.103 266 K CB 0.375 32.770 32.500 -0.176 0.000 0.848 266 K HN 0.212 nan 8.250 nan 0.000 0.528 267 S N 1.143 116.576 115.700 -0.445 0.000 2.279 267 S HA 0.263 4.736 4.470 0.005 0.000 0.176 267 S C -2.342 172.117 174.600 -0.235 0.000 1.554 267 S CA -1.650 56.330 58.200 -0.368 0.000 1.242 267 S CB 0.683 63.505 63.200 -0.630 0.000 1.163 267 S HN -0.121 nan 8.310 nan 0.000 0.449 268 P HA -0.133 nan 4.420 nan 0.000 0.216 268 P C 1.121 178.367 177.300 -0.091 0.000 1.150 268 P CA 1.193 64.204 63.100 -0.147 0.000 0.843 268 P CB 0.211 31.843 31.700 -0.114 0.000 0.787 269 E N -1.635 118.513 120.200 -0.086 0.000 2.110 269 E HA -0.214 4.139 4.350 0.005 0.000 0.193 269 E C 1.896 178.412 176.600 -0.140 0.000 0.988 269 E CA 1.085 57.415 56.400 -0.116 0.000 0.804 269 E CB -0.497 29.105 29.700 -0.163 0.000 0.745 269 E HN 0.489 nan 8.360 nan 0.000 0.458 270 H N 0.017 119.048 119.070 -0.065 0.000 2.395 270 H HA 0.063 4.622 4.556 0.005 0.000 0.299 270 H C 2.093 177.525 175.328 0.174 0.000 1.070 270 H CA 0.957 57.034 56.048 0.049 0.000 1.356 270 H CB 0.171 29.943 29.762 0.017 0.000 1.401 270 H HN -0.009 nan 8.280 nan 0.000 0.524 271 R N 0.405 120.987 120.500 0.136 0.000 2.073 271 R HA -0.192 4.151 4.340 0.005 0.000 0.234 271 R C 2.289 178.641 176.300 0.088 0.000 1.134 271 R CA 1.566 57.718 56.100 0.086 0.000 0.952 271 R CB -0.262 29.999 30.300 -0.065 0.000 0.850 271 R HN 0.461 nan 8.270 nan 0.000 0.433 272 Q N 1.161 120.986 119.800 0.041 0.000 2.061 272 Q HA -0.252 4.092 4.340 0.005 0.000 0.204 272 Q C 2.009 178.046 176.000 0.062 0.000 0.984 272 Q CA 1.879 57.701 55.803 0.032 0.000 0.846 272 Q CB -0.013 28.724 28.738 -0.002 0.000 0.902 272 Q HN 0.374 nan 8.270 nan 0.000 0.421 273 E N -0.065 120.189 120.200 0.090 0.000 2.070 273 E HA -0.212 4.142 4.350 0.005 0.000 0.197 273 E C 1.984 178.674 176.600 0.150 0.000 1.004 273 E CA 1.486 57.967 56.400 0.134 0.000 0.805 273 E CB -0.104 29.726 29.700 0.218 0.000 0.744 273 E HN 0.464 nan 8.360 nan 0.000 0.451 274 L N 0.203 121.531 121.223 0.175 0.000 2.270 274 L HA -0.024 4.319 4.340 0.005 0.000 0.210 274 L C 2.343 179.260 176.870 0.079 0.000 1.104 274 L CA 0.254 55.161 54.840 0.112 0.000 0.804 274 L CB -0.145 41.978 42.059 0.106 0.000 0.937 274 L HN 0.217 nan 8.230 nan 0.000 0.450 275 I N -0.429 120.190 120.570 0.081 0.000 2.286 275 I HA -0.255 3.918 4.170 0.005 0.000 0.245 275 I C 2.549 178.693 176.117 0.045 0.000 1.104 275 I CA 1.251 62.586 61.300 0.058 0.000 1.397 275 I CB -0.170 37.862 38.000 0.053 0.000 1.072 275 I HN 0.296 nan 8.210 nan 0.000 0.417 276 Q N 0.580 120.409 119.800 0.047 0.000 2.123 276 Q HA -0.017 4.326 4.340 0.005 0.000 0.199 276 Q C 0.543 176.566 176.000 0.038 0.000 0.966 276 Q CA 0.983 56.808 55.803 0.038 0.000 0.845 276 Q CB 0.181 28.941 28.738 0.036 0.000 0.907 276 Q HN 0.414 nan 8.270 nan 0.000 0.439 277 R N 0.566 121.094 120.500 0.047 0.000 2.585 277 R HA 0.182 4.525 4.340 0.005 0.000 0.278 277 R C -2.194 174.129 176.300 0.037 0.000 1.663 277 R CA -1.299 54.826 56.100 0.042 0.000 1.592 277 R CB 1.103 31.432 30.300 0.048 0.000 1.200 277 R HN 0.054 nan 8.270 nan 0.000 0.611 278 P HA -0.219 nan 4.420 nan 0.000 0.222 278 P C 0.990 178.301 177.300 0.017 0.000 1.147 278 P CA 1.164 64.279 63.100 0.025 0.000 0.790 278 P CB 0.339 32.054 31.700 0.025 0.000 0.780 279 E N 0.960 121.172 120.200 0.020 0.000 2.409 279 E HA -0.162 4.191 4.350 0.005 0.000 0.198 279 E C 1.572 178.179 176.600 0.012 0.000 1.024 279 E CA 0.690 57.101 56.400 0.018 0.000 0.861 279 E CB -0.567 29.145 29.700 0.021 0.000 0.788 279 E HN 0.278 nan 8.360 nan 0.000 0.521 280 R N 0.214 120.718 120.500 0.006 0.000 2.313 280 R HA 0.219 4.562 4.340 0.005 0.000 0.199 280 R C 2.255 178.508 176.300 -0.079 0.000 0.958 280 R CA 0.145 56.238 56.100 -0.012 0.000 1.047 280 R CB -0.129 30.181 30.300 0.017 0.000 0.955 280 R HN 0.237 nan 8.270 nan 0.000 0.481 281 I N 1.424 121.957 120.570 -0.062 0.000 2.163 281 I HA -0.216 3.958 4.170 0.005 0.000 0.243 281 I C -0.848 175.225 176.117 -0.074 0.000 1.085 281 I CA 1.444 62.691 61.300 -0.089 0.000 1.347 281 I CB -0.968 37.015 38.000 -0.028 0.000 1.044 281 I HN 0.042 nan 8.210 nan 0.000 0.408 282 P HA -0.186 nan 4.420 nan 0.000 0.215 282 P C 1.459 178.757 177.300 -0.003 0.000 1.153 282 P CA 1.860 64.965 63.100 0.007 0.000 0.853 282 P CB -0.030 31.686 31.700 0.027 0.000 0.788 283 A N -0.096 122.712 122.820 -0.021 0.000 1.933 283 A HA -0.100 4.223 4.320 0.005 0.000 0.218 283 A C 2.314 179.860 177.584 -0.064 0.000 1.175 283 A CA 2.014 54.048 52.037 -0.005 0.000 0.628 283 A CB -1.595 17.418 19.000 0.022 0.000 0.814 283 A HN 0.190 nan 8.150 nan 0.000 0.444 284 A N -0.841 121.815 122.820 -0.274 0.000 1.902 284 A HA -0.180 4.143 4.320 0.005 0.000 0.217 284 A C 2.303 179.764 177.584 -0.205 0.000 1.181 284 A CA 1.678 53.324 52.037 -0.652 0.000 0.623 284 A CB -1.332 16.923 19.000 -1.242 0.000 0.818 284 A HN 0.602 nan 8.150 nan 0.000 0.443 285 C N -1.091 118.163 119.300 -0.077 0.000 2.413 285 C HA -0.095 4.368 4.460 0.005 0.000 0.276 285 C C 2.706 177.742 174.990 0.077 0.000 1.248 285 C CA 1.469 60.528 59.018 0.068 0.000 1.742 285 C CB -1.102 26.690 27.740 0.087 0.000 2.017 285 C HN 0.734 nan 8.230 nan 0.000 0.481 286 E N 0.973 121.205 120.200 0.052 0.000 2.077 286 E HA -0.188 4.165 4.350 0.005 0.000 0.193 286 E C 2.016 178.630 176.600 0.023 0.000 0.989 286 E CA 1.512 57.944 56.400 0.053 0.000 0.800 286 E CB -0.260 29.505 29.700 0.109 0.000 0.746 286 E HN 0.639 nan 8.360 nan 0.000 0.452 287 E N -0.233 120.013 120.200 0.077 0.000 2.152 287 E HA -0.074 4.279 4.350 0.005 0.000 0.192 287 E C 1.876 178.502 176.600 0.042 0.000 0.983 287 E CA 0.853 57.302 56.400 0.083 0.000 0.818 287 E CB -0.228 29.601 29.700 0.214 0.000 0.758 287 E HN 0.328 nan 8.360 nan 0.000 0.467 288 L N -0.057 121.256 121.223 0.151 0.000 2.093 288 L HA -0.103 4.240 4.340 0.005 0.000 0.208 288 L C 2.409 179.495 176.870 0.359 0.000 1.085 288 L CA 0.751 55.755 54.840 0.273 0.000 0.755 288 L CB -0.365 41.916 42.059 0.369 0.000 0.904 288 L HN 0.202 nan 8.230 nan 0.000 0.435 289 L N -0.546 120.755 121.223 0.130 0.000 2.131 289 L HA -0.204 4.139 4.340 0.005 0.000 0.210 289 L C 2.845 179.476 176.870 -0.398 0.000 1.092 289 L CA 1.075 55.741 54.840 -0.290 0.000 0.759 289 L CB -0.424 41.259 42.059 -0.627 0.000 0.903 289 L HN 0.255 nan 8.230 nan 0.000 0.435 290 R N 0.215 120.509 120.500 -0.343 0.000 2.057 290 R HA -0.180 4.163 4.340 0.005 0.000 0.229 290 R C 2.479 178.599 176.300 -0.300 0.000 1.136 290 R CA 1.407 57.325 56.100 -0.302 0.000 0.952 290 R CB -0.073 30.137 30.300 -0.150 0.000 0.848 290 R HN 0.068 nan 8.270 nan 0.000 0.430 291 R N -0.156 120.120 120.500 -0.373 0.000 2.115 291 R HA -0.059 4.284 4.340 0.005 0.000 0.230 291 R C 0.607 176.346 176.300 -0.935 0.000 1.111 291 R CA 1.498 57.183 56.100 -0.693 0.000 0.976 291 R CB -0.134 29.595 30.300 -0.951 0.000 0.870 291 R HN 0.223 nan 8.270 nan 0.000 0.445 292 F N 0.192 120.025 119.950 -0.196 0.000 2.850 292 F HA 0.433 4.963 4.527 0.005 0.000 0.306 292 F C 0.425 176.102 175.800 -0.205 0.000 1.162 292 F CA -0.537 57.286 58.000 -0.295 0.000 1.327 292 F CB -0.075 38.742 39.000 -0.306 0.000 0.953 292 F HN -0.148 nan 8.300 nan 0.000 0.507 293 S N 1.722 117.322 115.700 -0.167 0.000 2.558 293 S HA 0.177 4.650 4.470 0.005 0.000 0.287 293 S C 0.920 175.350 174.600 -0.282 0.000 1.321 293 S CA 0.178 58.234 58.200 -0.241 0.000 1.048 293 S CB 0.403 63.423 63.200 -0.299 0.000 0.844 293 S HN 0.564 nan 8.310 nan 0.000 0.512 294 L N 2.109 123.186 121.223 -0.243 0.000 3.689 294 L HA 0.567 4.910 4.340 0.005 0.000 0.344 294 L C -0.877 175.854 176.870 -0.232 0.000 1.221 294 L CA -0.550 54.164 54.840 -0.211 0.000 1.171 294 L CB 0.243 42.336 42.059 0.057 0.000 1.540 294 L HN 0.340 nan 8.230 nan 0.000 0.631 295 V N 1.870 121.628 119.914 -0.260 0.000 2.547 295 V HA 0.859 4.982 4.120 0.005 0.000 0.299 295 V C 0.193 176.103 176.094 -0.306 0.000 1.040 295 V CA 0.009 62.174 62.300 -0.225 0.000 0.913 295 V CB 1.531 33.268 31.823 -0.144 0.000 0.992 295 V HN 0.331 nan 8.190 nan 0.000 0.449 296 A N 3.461 126.109 122.820 -0.287 0.000 2.599 296 A HA 0.710 5.033 4.320 0.005 0.000 0.281 296 A C -0.751 176.731 177.584 -0.169 0.000 1.137 296 A CA -0.604 51.289 52.037 -0.240 0.000 0.767 296 A CB 0.716 19.486 19.000 -0.383 0.000 1.266 296 A HN 0.856 nan 8.150 nan 0.000 0.420 297 D N 1.482 121.834 120.400 -0.080 0.000 2.726 297 D HA 0.863 5.506 4.640 0.005 0.000 0.241 297 D C 0.479 176.808 176.300 0.048 0.000 1.150 297 D CA 0.054 54.008 54.000 -0.076 0.000 1.089 297 D CB 1.030 41.809 40.800 -0.036 0.000 1.260 297 D HN 0.918 nan 8.370 nan 0.000 0.637 298 G N -1.817 107.024 108.800 0.069 0.000 2.578 298 G HA2 0.553 4.516 3.960 0.005 0.000 0.302 298 G HA3 0.553 4.516 3.960 0.005 0.000 0.302 298 G C -1.199 173.732 174.900 0.051 0.000 1.243 298 G CA -0.743 44.381 45.100 0.041 0.000 0.843 298 G HN 0.449 nan 8.290 nan 0.000 0.486 299 R N -1.213 119.309 120.500 0.037 0.000 2.831 299 R HA 0.654 4.997 4.340 0.005 0.000 0.266 299 R C -1.399 174.985 176.300 0.140 0.000 1.051 299 R CA -0.759 55.400 56.100 0.097 0.000 0.943 299 R CB 1.726 32.111 30.300 0.142 0.000 1.228 299 R HN 0.597 nan 8.270 nan 0.000 0.467 300 I N 1.250 121.907 120.570 0.145 0.000 2.569 300 I HA 0.284 4.457 4.170 0.005 0.000 0.296 300 I C -0.648 175.544 176.117 0.125 0.000 1.028 300 I CA -1.077 60.309 61.300 0.143 0.000 1.082 300 I CB 1.365 39.422 38.000 0.095 0.000 1.264 300 I HN 0.208 nan 8.210 nan 0.000 0.429 301 L N 6.355 127.650 121.223 0.121 0.000 2.410 301 L HA 0.127 4.470 4.340 0.005 0.000 0.273 301 L C 1.560 178.427 176.870 -0.004 0.000 1.144 301 L CA 0.451 55.297 54.840 0.010 0.000 0.863 301 L CB 0.984 43.079 42.059 0.059 0.000 1.140 301 L HN 0.813 nan 8.230 nan 0.000 0.463 302 T N -1.245 113.268 114.554 -0.068 0.000 3.014 302 T HA 0.031 4.384 4.350 0.005 0.000 0.263 302 T C 0.778 175.456 174.700 -0.037 0.000 1.078 302 T CA 0.566 62.637 62.100 -0.049 0.000 1.135 302 T CB 0.158 68.972 68.868 -0.089 0.000 0.895 302 T HN 0.620 nan 8.240 nan 0.000 0.480 303 S N -0.149 115.531 115.700 -0.034 0.000 2.615 303 S HA 0.464 4.937 4.470 0.005 0.000 0.269 303 S C -1.999 172.620 174.600 0.032 0.000 1.161 303 S CA -1.156 57.045 58.200 0.001 0.000 0.817 303 S CB 1.164 64.366 63.200 0.002 0.000 1.131 303 S HN 0.059 nan 8.310 nan 0.000 0.467 304 D N 1.284 121.707 120.400 0.039 0.000 2.493 304 D HA 0.363 5.006 4.640 0.005 0.000 0.240 304 D C -0.884 175.489 176.300 0.122 0.000 1.142 304 D CA 1.150 55.183 54.000 0.054 0.000 0.872 304 D CB -0.056 40.761 40.800 0.029 0.000 1.173 304 D HN 0.523 nan 8.370 nan 0.000 0.467 305 Y N 0.750 120.997 120.300 -0.088 0.000 2.442 305 Y HA 0.180 4.733 4.550 0.005 0.000 0.330 305 Y C -1.025 174.816 175.900 -0.097 0.000 1.100 305 Y CA -1.100 56.902 58.100 -0.163 0.000 1.034 305 Y CB 1.302 39.545 38.460 -0.362 0.000 1.285 305 Y HN 0.324 nan 8.280 nan 0.000 0.440 306 E N 5.910 125.855 120.200 -0.426 0.000 2.152 306 E HA 0.333 4.687 4.350 0.005 0.000 0.285 306 E C -1.873 174.272 176.600 -0.759 0.000 1.043 306 E CA -0.386 55.751 56.400 -0.437 0.000 0.839 306 E CB 0.530 30.093 29.700 -0.228 0.000 1.069 306 E HN 0.439 nan 8.360 nan 0.000 0.399 307 F N 5.304 124.847 119.950 -0.678 0.000 2.499 307 F HA 0.247 4.777 4.527 0.005 0.000 0.333 307 F C -0.333 175.377 175.800 -0.150 0.000 1.138 307 F CA -0.667 57.046 58.000 -0.478 0.000 0.945 307 F CB 0.522 39.367 39.000 -0.258 0.000 1.181 307 F HN 0.650 nan 8.300 nan 0.000 0.435 308 H N 4.207 122.933 119.070 -0.574 0.000 2.626 308 H HA -0.202 4.357 4.556 0.005 0.000 0.317 308 H C 1.413 176.577 175.328 -0.275 0.000 1.140 308 H CA 1.138 56.907 56.048 -0.464 0.000 1.134 308 H CB -1.032 28.356 29.762 -0.624 0.000 1.486 308 H HN 1.173 nan 8.280 nan 0.000 0.417 309 G N -1.192 107.512 108.800 -0.159 0.000 2.179 309 G HA2 -0.319 3.644 3.960 0.005 0.000 0.260 309 G HA3 -0.319 3.644 3.960 0.005 0.000 0.260 309 G C 0.260 175.116 174.900 -0.072 0.000 0.977 309 G CA 0.275 45.318 45.100 -0.096 0.000 0.641 309 G HN 0.475 nan 8.290 nan 0.000 0.533 310 V N 1.481 121.326 119.914 -0.115 0.000 2.459 310 V HA 0.504 4.627 4.120 0.005 0.000 0.295 310 V C 0.182 176.189 176.094 -0.145 0.000 1.029 310 V CA -0.993 61.228 62.300 -0.132 0.000 0.874 310 V CB 1.875 33.543 31.823 -0.259 0.000 0.985 310 V HN 0.258 nan 8.190 nan 0.000 0.438 311 Q N 4.690 124.461 119.800 -0.047 0.000 2.344 311 Q HA 0.430 4.773 4.340 0.005 0.000 0.253 311 Q C -0.786 175.275 176.000 0.101 0.000 1.050 311 Q CA 0.062 55.874 55.803 0.015 0.000 0.912 311 Q CB 1.152 29.938 28.738 0.081 0.000 1.258 311 Q HN 0.593 nan 8.270 nan 0.000 0.443 312 L N 2.025 123.259 121.223 0.019 0.000 2.325 312 L HA 0.493 4.836 4.340 0.005 0.000 0.279 312 L C 0.361 177.318 176.870 0.147 0.000 1.054 312 L CA -0.600 54.322 54.840 0.137 0.000 0.804 312 L CB 1.086 43.141 42.059 -0.008 0.000 1.200 312 L HN 0.264 nan 8.230 nan 0.000 0.436 313 K N 2.957 123.463 120.400 0.177 0.000 2.182 313 K HA 0.259 4.582 4.320 0.005 0.000 0.262 313 K C -0.364 176.267 176.600 0.052 0.000 0.957 313 K CA -0.821 55.441 56.287 -0.041 0.000 0.842 313 K CB 1.492 33.694 32.500 -0.497 0.000 1.099 313 K HN 0.461 nan 8.250 nan 0.000 0.438 314 K N 2.303 122.714 120.400 0.018 0.000 2.504 314 K HA -0.097 4.226 4.320 0.005 0.000 0.278 314 K C 0.532 177.168 176.600 0.060 0.000 1.025 314 K CA 1.723 58.031 56.287 0.035 0.000 1.093 314 K CB -0.142 32.366 32.500 0.014 0.000 0.873 314 K HN 0.899 nan 8.250 nan 0.000 0.483 315 G N 3.178 112.032 108.800 0.089 0.000 2.217 315 G HA2 -0.214 3.749 3.960 0.005 0.000 0.246 315 G HA3 -0.214 3.749 3.960 0.005 0.000 0.246 315 G C -0.350 174.660 174.900 0.184 0.000 0.990 315 G CA 0.124 45.291 45.100 0.112 0.000 0.627 315 G HN 0.726 nan 8.290 nan 0.000 0.522 316 D N 1.649 122.206 120.400 0.263 0.000 2.455 316 D HA 0.389 5.032 4.640 0.005 0.000 0.241 316 D C 0.894 177.422 176.300 0.380 0.000 1.138 316 D CA 0.494 54.754 54.000 0.433 0.000 0.877 316 D CB 0.555 41.778 40.800 0.704 0.000 1.187 316 D HN 0.498 nan 8.370 nan 0.000 0.451 317 Q N 1.063 121.066 119.800 0.338 0.000 2.259 317 Q HA 0.540 4.883 4.340 0.005 0.000 0.249 317 Q C -0.278 175.928 176.000 0.344 0.000 0.914 317 Q CA -0.433 55.519 55.803 0.248 0.000 0.904 317 Q CB 2.189 30.998 28.738 0.119 0.000 1.213 317 Q HN 0.467 nan 8.270 nan 0.000 0.428 318 I N 2.947 123.682 120.570 0.275 0.000 2.468 318 I HA 0.216 4.389 4.170 0.005 0.000 0.285 318 I C -1.530 174.653 176.117 0.110 0.000 1.039 318 I CA -1.014 60.463 61.300 0.294 0.000 1.074 318 I CB 1.107 39.293 38.000 0.309 0.000 1.228 318 I HN 0.497 nan 8.210 nan 0.000 0.436 319 L N 8.306 129.603 121.223 0.124 0.000 2.360 319 L HA 0.376 4.719 4.340 0.005 0.000 0.276 319 L C -1.035 175.852 176.870 0.028 0.000 1.121 319 L CA 0.401 55.266 54.840 0.043 0.000 0.845 319 L CB 0.685 42.791 42.059 0.078 0.000 1.143 319 L HN 0.553 nan 8.230 nan 0.000 0.452 320 L N 7.578 128.785 121.223 -0.028 0.000 2.495 320 L HA 0.380 4.723 4.340 0.005 0.000 0.248 320 L C -2.222 174.691 176.870 0.072 0.000 1.229 320 L CA -1.686 53.095 54.840 -0.098 0.000 0.942 320 L CB 0.920 42.663 42.059 -0.527 0.000 1.242 320 L HN 0.486 nan 8.230 nan 0.000 0.484 321 P HA 0.077 nan 4.420 nan 0.000 0.264 321 P C 0.261 177.536 177.300 -0.042 0.000 1.236 321 P CA -0.004 63.087 63.100 -0.015 0.000 0.811 321 P CB 0.911 32.623 31.700 0.020 0.000 0.840 322 Q N 2.754 122.529 119.800 -0.041 0.000 2.152 322 Q HA -0.205 4.138 4.340 0.005 0.000 0.206 322 Q C 1.915 177.827 176.000 -0.146 0.000 0.985 322 Q CA 1.667 57.432 55.803 -0.063 0.000 0.863 322 Q CB -0.581 28.092 28.738 -0.108 0.000 0.904 322 Q HN 0.511 nan 8.270 nan 0.000 0.422 323 M N -0.332 119.115 119.600 -0.254 0.000 2.144 323 M HA -0.223 4.261 4.480 0.005 0.000 0.260 323 M C 1.385 177.553 176.300 -0.221 0.000 1.067 323 M CA 1.551 56.665 55.300 -0.310 0.000 1.095 323 M CB 0.002 32.288 32.600 -0.523 0.000 1.365 323 M HN 0.298 nan 8.290 nan 0.000 0.406 324 L N -0.797 120.328 121.223 -0.163 0.000 2.240 324 L HA -0.103 4.240 4.340 0.005 0.000 0.211 324 L C 2.381 179.195 176.870 -0.093 0.000 1.106 324 L CA 0.551 55.326 54.840 -0.107 0.000 0.793 324 L CB -0.433 41.586 42.059 -0.066 0.000 0.927 324 L HN 0.304 nan 8.230 nan 0.000 0.446 325 S N 0.410 116.062 115.700 -0.081 0.000 2.359 325 S HA -0.165 4.308 4.470 0.005 0.000 0.224 325 S C 1.934 176.496 174.600 -0.064 0.000 1.035 325 S CA 1.533 59.691 58.200 -0.071 0.000 1.018 325 S CB -0.583 62.578 63.200 -0.065 0.000 0.876 325 S HN 0.600 nan 8.310 nan 0.000 0.448 326 G N 0.602 109.368 108.800 -0.057 0.000 2.572 326 G HA2 0.082 4.045 3.960 0.005 0.000 0.216 326 G HA3 0.082 4.045 3.960 0.005 0.000 0.216 326 G C 1.093 175.942 174.900 -0.084 0.000 1.133 326 G CA 0.073 45.146 45.100 -0.045 0.000 0.791 326 G HN 0.441 nan 8.290 nan 0.000 0.538 327 L N 0.287 121.447 121.223 -0.105 0.000 2.558 327 L HA 0.163 4.506 4.340 0.005 0.000 0.225 327 L C 0.530 177.351 176.870 -0.081 0.000 1.128 327 L CA -0.266 54.508 54.840 -0.109 0.000 0.868 327 L CB 0.065 42.050 42.059 -0.123 0.000 1.006 327 L HN 0.029 nan 8.230 nan 0.000 0.454 328 D N 1.266 121.621 120.400 -0.074 0.000 2.382 328 D HA -0.076 4.567 4.640 0.005 0.000 0.259 328 D C 1.087 177.355 176.300 -0.054 0.000 1.224 328 D CA 0.388 54.348 54.000 -0.067 0.000 0.894 328 D CB 1.221 41.979 40.800 -0.070 0.000 1.127 328 D HN 0.115 nan 8.370 nan 0.000 0.487 329 E N 2.961 123.132 120.200 -0.048 0.000 2.209 329 E HA -0.197 4.156 4.350 0.005 0.000 0.196 329 E C 1.503 178.084 176.600 -0.032 0.000 0.993 329 E CA 0.868 57.246 56.400 -0.036 0.000 0.819 329 E CB 0.302 29.983 29.700 -0.032 0.000 0.745 329 E HN 0.448 nan 8.360 nan 0.000 0.477 330 R N -0.050 120.428 120.500 -0.038 0.000 2.189 330 R HA -0.059 4.284 4.340 0.005 0.000 0.218 330 R C 1.952 178.233 176.300 -0.031 0.000 1.074 330 R CA 1.017 57.097 56.100 -0.034 0.000 0.991 330 R CB 0.034 30.309 30.300 -0.040 0.000 0.883 330 R HN 0.221 nan 8.270 nan 0.000 0.457 331 E N -0.086 120.092 120.200 -0.035 0.000 2.166 331 E HA 0.074 4.428 4.350 0.005 0.000 0.192 331 E C -0.076 176.511 176.600 -0.021 0.000 0.967 331 E CA 0.423 56.804 56.400 -0.031 0.000 0.840 331 E CB 0.424 30.099 29.700 -0.041 0.000 0.795 331 E HN 0.216 nan 8.360 nan 0.000 0.470 332 N N 0.285 118.972 118.700 -0.023 0.000 2.500 332 N HA 0.271 5.014 4.740 0.005 0.000 0.291 332 N C -1.192 174.312 175.510 -0.011 0.000 1.092 332 N CA -0.171 52.871 53.050 -0.013 0.000 0.890 332 N CB 2.042 40.517 38.487 -0.019 0.000 1.466 332 N HN -0.029 nan 8.380 nan 0.000 0.507 333 A N 0.698 123.518 122.820 0.000 0.000 2.498 333 A HA 0.225 4.548 4.320 0.005 0.000 0.239 333 A C 0.752 178.344 177.584 0.013 0.000 1.068 333 A CA 0.011 52.050 52.037 0.002 0.000 0.766 333 A CB -0.271 18.733 19.000 0.006 0.000 1.003 333 A HN 0.960 nan 8.150 nan 0.000 0.497 334 C N 2.493 121.796 119.300 0.005 0.000 3.514 334 C HA -0.096 4.367 4.460 0.005 0.000 0.286 334 C C -0.486 174.520 174.990 0.027 0.000 1.302 334 C CA 0.003 59.031 59.018 0.017 0.000 2.239 334 C CB -2.235 25.518 27.740 0.021 0.000 1.429 334 C HN 0.862 nan 8.230 nan 0.000 0.565 335 P HA -0.139 nan 4.420 nan 0.000 0.221 335 P C 1.390 178.639 177.300 -0.085 0.000 1.150 335 P CA 1.457 64.527 63.100 -0.049 0.000 0.800 335 P CB 0.030 31.694 31.700 -0.061 0.000 0.787 336 M N -1.675 117.892 119.600 -0.055 0.000 2.558 336 M HA 0.016 4.499 4.480 0.005 0.000 0.255 336 M C 1.237 177.506 176.300 -0.053 0.000 1.113 336 M CA 0.335 55.585 55.300 -0.084 0.000 1.097 336 M CB -1.817 30.760 32.600 -0.039 0.000 1.426 336 M HN 0.100 nan 8.290 nan 0.000 0.488 337 H N 1.170 120.183 119.070 -0.095 0.000 2.646 337 H HA 0.277 4.836 4.556 0.005 0.000 0.325 337 H C -1.020 174.235 175.328 -0.122 0.000 1.075 337 H CA -0.280 55.728 56.048 -0.067 0.000 1.421 337 H CB 1.312 31.061 29.762 -0.023 0.000 1.461 337 H HN -0.166 nan 8.280 nan 0.000 0.525 338 V N 6.115 125.652 119.914 -0.628 0.000 2.408 338 V HA 0.013 4.136 4.120 0.005 0.000 0.267 338 V C 0.158 175.829 176.094 -0.705 0.000 1.047 338 V CA -0.103 61.806 62.300 -0.652 0.000 0.937 338 V CB 1.003 32.296 31.823 -0.882 0.000 0.999 338 V HN 0.724 nan 8.190 nan 0.000 0.472 339 D N 4.234 124.397 120.400 -0.396 0.000 2.473 339 D HA 0.340 4.984 4.640 0.005 0.000 0.253 339 D C 0.377 176.713 176.300 0.060 0.000 1.233 339 D CA -0.574 53.321 54.000 -0.176 0.000 0.908 339 D CB 1.081 41.877 40.800 -0.007 0.000 1.170 339 D HN 0.213 nan 8.370 nan 0.000 0.558 340 F N 1.406 121.405 119.950 0.081 0.000 2.451 340 F HA -0.003 4.526 4.527 0.004 0.000 0.299 340 F C 2.183 178.019 175.800 0.061 0.000 1.101 340 F CA 0.430 58.478 58.000 0.080 0.000 1.436 340 F CB -0.388 38.684 39.000 0.120 0.000 1.074 340 F HN 0.289 nan 8.300 nan 0.000 0.553 341 S N -1.070 114.763 115.700 0.220 0.000 2.556 341 S HA 0.076 4.549 4.470 0.005 0.000 0.216 341 S C 0.860 175.525 174.600 0.109 0.000 0.970 341 S CA -0.506 57.780 58.200 0.144 0.000 0.912 341 S CB -0.195 63.073 63.200 0.114 0.000 0.790 341 S HN 0.150 nan 8.310 nan 0.000 0.504 342 R N 1.683 122.250 120.500 0.110 0.000 2.486 342 R HA -0.079 4.264 4.340 0.005 0.000 0.304 342 R C 0.958 177.301 176.300 0.073 0.000 0.913 342 R CA 0.371 56.521 56.100 0.083 0.000 1.124 342 R CB 0.256 30.599 30.300 0.073 0.000 0.891 342 R HN 0.215 nan 8.270 nan 0.000 0.410 343 Q N 2.770 122.605 119.800 0.058 0.000 2.046 343 Q HA -0.099 4.245 4.340 0.005 0.000 0.200 343 Q C -0.162 175.864 176.000 0.044 0.000 0.975 343 Q CA 1.717 57.549 55.803 0.049 0.000 0.836 343 Q CB 0.278 29.039 28.738 0.039 0.000 0.896 343 Q HN 0.364 nan 8.270 nan 0.000 0.428 344 K N -0.171 120.253 120.400 0.039 0.000 2.527 344 K HA 0.321 4.645 4.320 0.005 0.000 0.240 344 K C -1.499 175.122 176.600 0.036 0.000 0.989 344 K CA -0.148 56.158 56.287 0.032 0.000 0.985 344 K CB 1.934 34.446 32.500 0.021 0.000 1.221 344 K HN -0.196 nan 8.250 nan 0.000 0.458 345 V N 2.178 122.124 119.914 0.053 0.000 2.326 345 V HA 0.089 4.212 4.120 0.005 0.000 0.249 345 V C 0.213 176.349 176.094 0.069 0.000 1.114 345 V CA -0.310 62.038 62.300 0.079 0.000 1.028 345 V CB 0.361 32.258 31.823 0.123 0.000 1.170 345 V HN 0.670 nan 8.190 nan 0.000 0.494 346 S N 5.239 120.959 115.700 0.034 0.000 2.475 346 S HA 0.654 5.127 4.470 0.005 0.000 0.281 346 S C -0.486 174.133 174.600 0.032 0.000 1.198 346 S CA -0.402 57.787 58.200 -0.019 0.000 1.063 346 S CB 0.199 63.385 63.200 -0.023 0.000 0.972 346 S HN 1.087 nan 8.310 nan 0.000 0.486 347 H N 0.064 119.109 119.070 -0.041 0.000 2.950 347 H HA 0.501 5.060 4.556 0.005 0.000 0.307 347 H C -0.561 174.734 175.328 -0.055 0.000 1.403 347 H CA -0.400 55.605 56.048 -0.073 0.000 1.145 347 H CB 0.701 30.401 29.762 -0.103 0.000 1.844 347 H HN 0.328 nan 8.280 nan 0.000 0.515 348 T N -1.958 112.666 114.554 0.117 0.000 3.448 348 T HA 0.182 4.535 4.350 0.005 0.000 0.271 348 T C 0.418 175.168 174.700 0.083 0.000 1.002 348 T CA 0.087 62.238 62.100 0.085 0.000 0.995 348 T CB -0.371 68.498 68.868 0.002 0.000 1.153 348 T HN 0.625 nan 8.240 nan 0.000 0.510 349 T N 1.295 115.948 114.554 0.165 0.000 2.788 349 T HA 0.036 4.389 4.350 0.005 0.000 0.268 349 T C 0.452 174.942 174.700 -0.350 0.000 1.044 349 T CA 1.257 63.184 62.100 -0.287 0.000 1.139 349 T CB -0.364 68.069 68.868 -0.724 0.000 0.867 349 T HN 0.497 nan 8.240 nan 0.000 0.454 350 F N 1.129 121.082 119.950 0.004 0.000 2.645 350 F HA 0.476 5.006 4.527 0.005 0.000 0.300 350 F C 1.569 177.331 175.800 -0.063 0.000 1.115 350 F CA -0.267 57.703 58.000 -0.049 0.000 1.355 350 F CB -0.428 38.546 39.000 -0.043 0.000 1.026 350 F HN 0.290 nan 8.300 nan 0.000 0.536 351 G N -0.021 108.806 108.800 0.045 0.000 2.627 351 G HA2 -0.055 3.908 3.960 0.005 0.000 0.214 351 G HA3 -0.055 3.908 3.960 0.005 0.000 0.214 351 G C -1.510 173.387 174.900 -0.004 0.000 1.331 351 G CA -0.704 44.337 45.100 -0.098 0.000 0.891 351 G HN 0.505 nan 8.290 nan 0.000 0.539 352 H N -1.113 117.816 119.070 -0.235 0.000 3.094 352 H HA 0.673 5.232 4.556 0.005 0.000 0.346 352 H C 0.565 175.890 175.328 -0.004 0.000 1.238 352 H CA 1.870 57.872 56.048 -0.077 0.000 1.209 352 H CB 1.300 31.065 29.762 0.004 0.000 1.911 352 H HN 2.650 nan 8.280 nan 0.000 0.540 353 G N 1.105 109.680 108.800 -0.375 0.000 2.542 353 G HA2 -0.262 3.701 3.960 0.005 0.000 0.235 353 G HA3 -0.262 3.701 3.960 0.005 0.000 0.235 353 G C 1.094 175.959 174.900 -0.059 0.000 1.286 353 G CA 0.581 45.613 45.100 -0.113 0.000 0.904 353 G HN 1.409 nan 8.290 nan 0.000 0.577 354 S N -0.900 114.794 115.700 -0.010 0.000 2.515 354 S HA 0.012 4.486 4.470 0.005 0.000 0.231 354 S C 1.283 175.746 174.600 -0.229 0.000 0.987 354 S CA 1.670 59.786 58.200 -0.140 0.000 0.936 354 S CB -0.235 62.815 63.200 -0.250 0.000 0.766 354 S HN 0.733 nan 8.310 nan 0.000 0.528 355 H N 0.713 119.764 119.070 -0.033 0.000 2.505 355 H HA 0.376 4.935 4.556 0.005 0.000 0.289 355 H C 0.068 175.369 175.328 -0.044 0.000 1.052 355 H CA -0.388 55.644 56.048 -0.026 0.000 1.156 355 H CB -0.054 29.703 29.762 -0.008 0.000 1.507 355 H HN 0.365 nan 8.280 nan 0.000 0.548 356 L N 1.401 122.632 121.223 0.013 0.000 2.615 356 L HA -0.129 4.214 4.340 0.005 0.000 0.284 356 L C 0.935 177.799 176.870 -0.010 0.000 1.237 356 L CA 0.047 54.883 54.840 -0.006 0.000 0.905 356 L CB 0.307 42.344 42.059 -0.036 0.000 1.149 356 L HN 0.369 nan 8.230 nan 0.000 0.499 357 C N 5.170 124.472 119.300 0.003 0.000 2.437 357 C HA -0.050 4.413 4.460 0.005 0.000 0.399 357 C C 1.799 176.703 174.990 -0.143 0.000 1.478 357 C CA -0.254 58.744 59.018 -0.034 0.000 1.538 357 C CB -0.862 26.886 27.740 0.014 0.000 2.506 357 C HN 0.783 nan 8.230 nan 0.000 0.603 358 L N 4.983 126.155 121.223 -0.085 0.000 2.341 358 L HA 0.156 4.499 4.340 0.005 0.000 0.214 358 L C 2.402 179.191 176.870 -0.135 0.000 1.115 358 L CA 1.254 56.041 54.840 -0.089 0.000 0.820 358 L CB -0.361 41.690 42.059 -0.012 0.000 0.944 358 L HN 0.971 nan 8.230 nan 0.000 0.452 359 G N -0.575 108.136 108.800 -0.149 0.000 3.042 359 G HA2 -0.069 3.895 3.960 0.005 0.000 0.212 359 G HA3 -0.069 3.895 3.960 0.005 0.000 0.212 359 G C 1.355 176.081 174.900 -0.290 0.000 1.166 359 G CA -0.049 44.969 45.100 -0.137 0.000 0.767 359 G HN 0.511 nan 8.290 nan 0.000 0.546 360 Q N -0.099 119.336 119.800 -0.609 0.000 2.170 360 Q HA -0.172 4.171 4.340 0.005 0.000 0.203 360 Q C 1.751 177.341 176.000 -0.682 0.000 0.976 360 Q CA 1.251 56.410 55.803 -1.073 0.000 0.858 360 Q CB -0.520 27.160 28.738 -1.763 0.000 0.907 360 Q HN 0.474 nan 8.270 nan 0.000 0.433 361 H N 0.429 119.346 119.070 -0.255 0.000 2.395 361 H HA -0.033 4.526 4.556 0.005 0.000 0.299 361 H C 2.153 177.438 175.328 -0.071 0.000 1.070 361 H CA 1.192 57.158 56.048 -0.136 0.000 1.356 361 H CB -0.153 29.552 29.762 -0.096 0.000 1.401 361 H HN 0.242 nan 8.280 nan 0.000 0.524 362 L N 1.310 122.546 121.223 0.022 0.000 2.017 362 L HA -0.052 4.291 4.340 0.005 0.000 0.208 362 L C 2.550 179.439 176.870 0.031 0.000 1.073 362 L CA 1.813 56.669 54.840 0.027 0.000 0.745 362 L CB -0.940 41.130 42.059 0.018 0.000 0.894 362 L HN 0.174 nan 8.230 nan 0.000 0.432 363 A N -0.360 122.459 122.820 -0.001 0.000 1.883 363 A HA -0.232 4.091 4.320 0.005 0.000 0.217 363 A C 2.437 180.093 177.584 0.120 0.000 1.186 363 A CA 1.907 53.988 52.037 0.073 0.000 0.624 363 A CB -0.596 18.476 19.000 0.120 0.000 0.822 363 A HN 0.499 nan 8.150 nan 0.000 0.444 364 R N -1.273 119.274 120.500 0.079 0.000 2.081 364 R HA -0.129 4.214 4.340 0.005 0.000 0.235 364 R C 2.143 178.525 176.300 0.136 0.000 1.131 364 R CA 1.458 57.630 56.100 0.119 0.000 0.960 364 R CB -0.636 29.718 30.300 0.091 0.000 0.856 364 R HN 0.495 nan 8.270 nan 0.000 0.436 365 L N 1.561 122.857 121.223 0.121 0.000 2.012 365 L HA -0.218 4.125 4.340 0.005 0.000 0.210 365 L C 2.112 179.107 176.870 0.208 0.000 1.073 365 L CA 1.801 56.724 54.840 0.139 0.000 0.748 365 L CB -0.385 41.740 42.059 0.110 0.000 0.891 365 L HN 0.141 nan 8.230 nan 0.000 0.431 366 Q N -0.752 119.184 119.800 0.227 0.000 2.124 366 Q HA -0.179 4.164 4.340 0.005 0.000 0.202 366 Q C 2.248 178.528 176.000 0.466 0.000 0.977 366 Q CA 2.022 58.060 55.803 0.391 0.000 0.850 366 Q CB -0.188 28.692 28.738 0.237 0.000 0.901 366 Q HN 0.586 nan 8.270 nan 0.000 0.429 367 I N 0.183 120.955 120.570 0.337 0.000 2.202 367 I HA -0.272 3.901 4.170 0.005 0.000 0.242 367 I C 2.131 178.389 176.117 0.236 0.000 1.091 367 I CA 1.105 62.600 61.300 0.325 0.000 1.368 367 I CB -0.190 38.009 38.000 0.330 0.000 1.058 367 I HN 0.173 nan 8.210 nan 0.000 0.410 368 I N -0.033 120.651 120.570 0.191 0.000 2.226 368 I HA -0.246 3.927 4.170 0.005 0.000 0.245 368 I C 2.524 178.720 176.117 0.130 0.000 1.100 368 I CA 1.096 62.476 61.300 0.133 0.000 1.374 368 I CB -0.277 37.788 38.000 0.108 0.000 1.057 368 I HN 0.019 nan 8.210 nan 0.000 0.413 369 V N 0.521 120.538 119.914 0.172 0.000 2.332 369 V HA -0.309 3.814 4.120 0.005 0.000 0.248 369 V C 2.500 178.653 176.094 0.099 0.000 1.055 369 V CA 2.509 64.903 62.300 0.157 0.000 1.038 369 V CB -0.913 31.058 31.823 0.246 0.000 0.651 369 V HN 0.478 nan 8.190 nan 0.000 0.450 370 T N 0.398 115.019 114.554 0.112 0.000 2.708 370 T HA -0.142 4.211 4.350 0.005 0.000 0.266 370 T C 1.871 176.594 174.700 0.038 0.000 1.037 370 T CA 1.662 63.778 62.100 0.027 0.000 1.146 370 T CB -0.302 68.633 68.868 0.112 0.000 0.865 370 T HN 0.302 nan 8.240 nan 0.000 0.435 371 L N 0.540 121.801 121.223 0.064 0.000 2.017 371 L HA -0.117 4.226 4.340 0.005 0.000 0.208 371 L C 2.677 179.595 176.870 0.079 0.000 1.073 371 L CA 1.262 56.138 54.840 0.059 0.000 0.745 371 L CB -0.507 41.583 42.059 0.051 0.000 0.894 371 L HN 0.155 nan 8.230 nan 0.000 0.432 372 K N 0.357 120.796 120.400 0.065 0.000 2.002 372 K HA -0.181 4.142 4.320 0.005 0.000 0.209 372 K C 2.018 178.643 176.600 0.041 0.000 1.048 372 K CA 1.532 57.850 56.287 0.052 0.000 0.930 372 K CB -0.107 32.422 32.500 0.048 0.000 0.714 372 K HN 0.140 nan 8.250 nan 0.000 0.438 373 E N -0.601 119.619 120.200 0.033 0.000 2.158 373 E HA -0.149 4.205 4.350 0.005 0.000 0.191 373 E C 1.808 178.378 176.600 -0.051 0.000 0.982 373 E CA 0.548 56.943 56.400 -0.009 0.000 0.823 373 E CB -0.418 29.275 29.700 -0.012 0.000 0.766 373 E HN 0.468 nan 8.360 nan 0.000 0.468 374 W N 1.435 122.610 121.300 -0.207 0.000 2.378 374 W HA -0.088 4.576 4.660 0.006 0.000 0.313 374 W C 1.787 178.178 176.519 -0.214 0.000 1.197 374 W CA 0.945 58.111 57.345 -0.299 0.000 1.304 374 W CB -0.353 28.862 29.460 -0.408 0.000 1.148 374 W HN 0.022 nan 8.180 nan 0.000 0.494 375 L N 0.340 121.670 121.223 0.177 0.000 2.201 375 L HA -0.196 4.148 4.340 0.005 0.000 0.212 375 L C 2.392 179.275 176.870 0.021 0.000 1.105 375 L CA 1.499 56.431 54.840 0.154 0.000 0.775 375 L CB -1.105 41.056 42.059 0.170 0.000 0.913 375 L HN -0.148 nan 8.230 nan 0.000 0.440 376 T N -0.581 113.959 114.554 -0.024 0.000 2.746 376 T HA -0.171 4.182 4.350 0.005 0.000 0.267 376 T C 2.066 176.699 174.700 -0.111 0.000 1.039 376 T CA 1.413 63.481 62.100 -0.052 0.000 1.142 376 T CB -0.054 68.787 68.868 -0.045 0.000 0.866 376 T HN 0.328 nan 8.240 nan 0.000 0.444 377 R N -0.230 120.142 120.500 -0.214 0.000 2.146 377 R HA 0.339 4.682 4.340 0.005 0.000 0.206 377 R C 0.505 176.571 176.300 -0.391 0.000 1.049 377 R CA 0.568 56.494 56.100 -0.291 0.000 1.029 377 R CB 0.422 30.502 30.300 -0.368 0.000 0.949 377 R HN 0.300 nan 8.270 nan 0.000 0.471 378 I N 2.331 122.569 120.570 -0.554 0.000 2.833 378 I HA 0.188 4.361 4.170 0.005 0.000 0.286 378 I C -1.949 174.088 176.117 -0.134 0.000 1.287 378 I CA -1.630 59.298 61.300 -0.621 0.000 1.046 378 I CB 1.910 39.050 38.000 -1.433 0.000 1.612 378 I HN -0.113 nan 8.210 nan 0.000 0.585 379 P HA -0.099 nan 4.420 nan 0.000 0.221 379 P C 0.160 177.569 177.300 0.182 0.000 1.150 379 P CA 1.250 64.421 63.100 0.119 0.000 0.800 379 P CB 0.289 32.015 31.700 0.044 0.000 0.787 380 D N -0.663 119.844 120.400 0.178 0.000 2.502 380 D HA 0.483 5.126 4.640 0.005 0.000 0.249 380 D C -0.942 175.545 176.300 0.312 0.000 1.092 380 D CA -0.711 53.363 54.000 0.122 0.000 0.839 380 D CB 0.941 41.787 40.800 0.076 0.000 1.264 380 D HN -0.105 nan 8.370 nan 0.000 0.511 381 F N 0.361 120.385 119.950 0.123 0.000 2.713 381 F HA 0.780 5.309 4.527 0.003 0.000 0.311 381 F C -1.264 174.614 175.800 0.130 0.000 1.141 381 F CA -0.923 57.210 58.000 0.221 0.000 0.939 381 F CB 1.120 40.292 39.000 0.287 0.000 1.325 381 F HN 0.151 nan 8.300 nan 0.000 0.453 382 S N 1.072 116.953 115.700 0.301 0.000 2.651 382 S HA 0.648 5.121 4.470 0.005 0.000 0.279 382 S C -1.161 173.545 174.600 0.176 0.000 1.148 382 S CA -0.811 57.459 58.200 0.116 0.000 0.837 382 S CB 1.854 65.094 63.200 0.067 0.000 1.138 382 S HN 0.609 nan 8.310 nan 0.000 0.478 383 I N 2.146 122.766 120.570 0.083 0.000 2.648 383 I HA 0.190 4.363 4.170 0.005 0.000 0.284 383 I C 1.065 177.224 176.117 0.070 0.000 1.153 383 I CA -0.276 61.070 61.300 0.076 0.000 1.426 383 I CB -0.168 37.852 38.000 0.033 0.000 1.381 383 I HN 0.819 nan 8.210 nan 0.000 0.571 384 A N 9.035 131.898 122.820 0.072 0.000 2.565 384 A HA 0.226 4.549 4.320 0.005 0.000 0.237 384 A C -2.049 175.553 177.584 0.030 0.000 1.053 384 A CA -0.694 51.372 52.037 0.047 0.000 0.755 384 A CB -0.946 18.077 19.000 0.039 0.000 0.980 384 A HN 0.521 nan 8.150 nan 0.000 0.506 385 P HA 0.185 nan 4.420 nan 0.000 0.260 385 P C 1.122 178.429 177.300 0.012 0.000 1.172 385 P CA 1.900 65.008 63.100 0.014 0.000 0.760 385 P CB 0.420 32.124 31.700 0.008 0.000 0.773 386 G N 2.112 110.918 108.800 0.011 0.000 2.212 386 G HA2 -0.241 3.722 3.960 0.005 0.000 0.266 386 G HA3 -0.241 3.722 3.960 0.005 0.000 0.266 386 G C 0.474 175.381 174.900 0.013 0.000 0.978 386 G CA 0.065 45.171 45.100 0.010 0.000 0.632 386 G HN 0.873 nan 8.290 nan 0.000 0.537 387 A N 0.133 122.963 122.820 0.017 0.000 2.440 387 A HA 0.603 4.926 4.320 0.005 0.000 0.251 387 A C 0.407 178.002 177.584 0.018 0.000 1.089 387 A CA 0.409 52.459 52.037 0.021 0.000 0.779 387 A CB 0.367 19.386 19.000 0.030 0.000 1.022 387 A HN 0.321 nan 8.150 nan 0.000 0.492 388 Q N 2.032 121.842 119.800 0.017 0.000 2.348 388 Q HA 0.330 4.673 4.340 0.005 0.000 0.265 388 Q C -0.637 175.371 176.000 0.014 0.000 0.998 388 Q CA -0.519 55.290 55.803 0.011 0.000 0.831 388 Q CB 1.575 30.317 28.738 0.007 0.000 1.251 388 Q HN 0.623 nan 8.270 nan 0.000 0.456 389 I N 2.499 123.075 120.570 0.011 0.000 2.452 389 I HA 0.083 4.256 4.170 0.005 0.000 0.287 389 I C 0.493 176.605 176.117 -0.008 0.000 1.079 389 I CA -0.222 61.095 61.300 0.027 0.000 1.387 389 I CB 0.500 38.534 38.000 0.057 0.000 1.404 389 I HN 0.501 nan 8.210 nan 0.000 0.522 390 Q N 6.758 126.588 119.800 0.050 0.000 2.307 390 Q HA 0.329 4.672 4.340 0.005 0.000 0.262 390 Q C -0.915 175.207 176.000 0.204 0.000 0.961 390 Q CA -0.256 55.583 55.803 0.059 0.000 0.882 390 Q CB 0.957 29.733 28.738 0.063 0.000 1.264 390 Q HN 0.585 nan 8.270 nan 0.000 0.446 391 H N 1.878 121.018 119.070 0.117 0.000 2.499 391 H HA 0.553 5.112 4.556 0.005 0.000 0.352 391 H C -0.438 174.977 175.328 0.144 0.000 1.237 391 H CA -1.064 55.080 56.048 0.160 0.000 1.343 391 H CB 1.326 31.257 29.762 0.283 0.000 1.578 391 H HN 0.549 nan 8.280 nan 0.000 0.577 392 K N 0.164 120.743 120.400 0.298 0.000 2.469 392 K HA 0.569 4.892 4.320 0.005 0.000 0.254 392 K C -1.230 175.523 176.600 0.256 0.000 0.939 392 K CA -0.948 55.472 56.287 0.221 0.000 0.812 392 K CB 2.574 35.163 32.500 0.148 0.000 1.301 392 K HN 0.381 nan 8.250 nan 0.000 0.433 393 S N 0.119 115.970 115.700 0.251 0.000 2.536 393 S HA 0.900 5.373 4.470 0.005 0.000 0.298 393 S C -0.576 174.175 174.600 0.251 0.000 1.083 393 S CA 0.148 58.530 58.200 0.304 0.000 0.995 393 S CB 1.546 64.970 63.200 0.374 0.000 1.058 393 S HN 1.012 nan 8.310 nan 0.000 0.488 394 G N 2.494 111.408 108.800 0.190 0.000 2.393 394 G HA2 0.231 4.194 3.960 0.005 0.000 0.264 394 G HA3 0.231 4.194 3.960 0.005 0.000 0.264 394 G C 0.257 175.111 174.900 -0.078 0.000 1.221 394 G CA -0.340 44.785 45.100 0.042 0.000 0.912 394 G HN 0.546 nan 8.290 nan 0.000 0.483 395 I N 0.052 120.557 120.570 -0.108 0.000 2.208 395 I HA -0.024 4.149 4.170 0.005 0.000 0.245 395 I C 0.957 176.990 176.117 -0.140 0.000 1.097 395 I CA 1.586 62.743 61.300 -0.237 0.000 1.363 395 I CB -0.906 36.848 38.000 -0.411 0.000 1.051 395 I HN 0.028 nan 8.210 nan 0.000 0.413 396 V N 0.937 120.832 119.914 -0.032 0.000 2.487 396 V HA 0.301 4.424 4.120 0.005 0.000 0.298 396 V C 0.182 176.310 176.094 0.056 0.000 1.028 396 V CA -0.566 61.734 62.300 -0.001 0.000 0.860 396 V CB 1.766 33.610 31.823 0.036 0.000 0.991 396 V HN 0.109 nan 8.190 nan 0.000 0.427 397 S N 2.326 118.069 115.700 0.073 0.000 2.669 397 S HA 0.899 5.372 4.470 0.005 0.000 0.270 397 S C 0.447 175.211 174.600 0.272 0.000 1.225 397 S CA 0.133 58.444 58.200 0.184 0.000 0.991 397 S CB 1.738 65.035 63.200 0.161 0.000 0.987 397 S HN 1.188 nan 8.310 nan 0.000 0.552 398 G N -0.581 108.350 108.800 0.219 0.000 2.619 398 G HA2 0.554 4.517 3.960 0.005 0.000 0.305 398 G HA3 0.554 4.517 3.960 0.005 0.000 0.305 398 G C -1.964 172.734 174.900 -0.337 0.000 1.330 398 G CA -0.481 44.514 45.100 -0.175 0.000 0.789 398 G HN 0.630 nan 8.290 nan 0.000 0.487 399 V N 0.722 120.378 119.914 -0.429 0.000 2.487 399 V HA 0.317 4.440 4.120 0.005 0.000 0.298 399 V C 0.898 176.954 176.094 -0.064 0.000 1.028 399 V CA -0.401 61.756 62.300 -0.238 0.000 0.860 399 V CB 1.451 33.048 31.823 -0.376 0.000 0.991 399 V HN 0.878 nan 8.190 nan 0.000 0.427 400 Q N 2.702 122.524 119.800 0.037 0.000 2.119 400 Q HA 0.198 4.542 4.340 0.005 0.000 0.201 400 Q C 0.621 176.640 176.000 0.033 0.000 0.972 400 Q CA 1.454 57.280 55.803 0.039 0.000 0.847 400 Q CB 0.369 29.145 28.738 0.063 0.000 0.903 400 Q HN 0.897 nan 8.270 nan 0.000 0.433 401 A N 0.113 122.959 122.820 0.043 0.000 2.594 401 A HA 0.539 4.862 4.320 0.005 0.000 0.296 401 A C -1.999 175.623 177.584 0.064 0.000 1.061 401 A CA -0.626 51.442 52.037 0.052 0.000 0.689 401 A CB 1.438 20.469 19.000 0.051 0.000 1.280 401 A HN 0.085 nan 8.150 nan 0.000 0.406 402 L N 2.917 124.194 121.223 0.089 0.000 2.481 402 L HA 0.505 4.848 4.340 0.005 0.000 0.255 402 L C -2.642 174.306 176.870 0.129 0.000 1.192 402 L CA -1.467 53.430 54.840 0.095 0.000 0.924 402 L CB 1.805 43.917 42.059 0.087 0.000 1.179 402 L HN 0.454 nan 8.230 nan 0.000 0.491 403 P HA 0.266 nan 4.420 nan 0.000 0.282 403 P C -0.960 176.420 177.300 0.133 0.000 1.274 403 P CA 0.015 63.183 63.100 0.112 0.000 0.770 403 P CB 1.014 32.757 31.700 0.072 0.000 0.867 404 L N 3.954 125.298 121.223 0.202 0.000 2.330 404 L HA 0.719 5.062 4.340 0.005 0.000 0.271 404 L C 0.500 177.524 176.870 0.256 0.000 1.013 404 L CA -1.215 53.804 54.840 0.297 0.000 0.816 404 L CB 2.164 44.484 42.059 0.435 0.000 1.287 404 L HN 0.216 nan 8.230 nan 0.000 0.435 405 V N -1.209 118.881 119.914 0.293 0.000 3.007 405 V HA 0.805 4.928 4.120 0.005 0.000 0.311 405 V C -1.604 174.720 176.094 0.385 0.000 1.120 405 V CA -0.602 61.751 62.300 0.087 0.000 0.980 405 V CB 1.798 33.621 31.823 -0.001 0.000 1.033 405 V HN 0.967 nan 8.190 nan 0.000 0.429 406 W N 0.595 121.968 121.300 0.123 0.000 3.066 406 W HA 0.740 5.400 4.660 0.000 0.000 0.330 406 W C -1.578 174.980 176.519 0.065 0.000 1.253 406 W CA -0.711 56.705 57.345 0.118 0.000 1.187 406 W CB 0.918 30.475 29.460 0.162 0.000 1.434 406 W HN 0.670 nan 8.180 nan 0.000 0.572 407 D N 2.080 122.646 120.400 0.277 0.000 2.316 407 D HA 0.316 4.959 4.640 0.005 0.000 0.245 407 D C -1.446 175.009 176.300 0.257 0.000 1.171 407 D CA -2.407 51.687 54.000 0.158 0.000 0.856 407 D CB 1.820 42.691 40.800 0.117 0.000 1.090 407 D HN 0.065 nan 8.370 nan 0.000 0.476 408 P HA -0.091 nan 4.420 nan 0.000 0.221 408 P C 0.754 178.135 177.300 0.134 0.000 1.145 408 P CA 0.953 64.182 63.100 0.215 0.000 0.795 408 P CB 0.207 31.971 31.700 0.107 0.000 0.775 409 A N -0.692 122.185 122.820 0.096 0.000 2.209 409 A HA -0.070 4.253 4.320 0.005 0.000 0.212 409 A C 1.879 179.500 177.584 0.062 0.000 1.158 409 A CA 1.725 53.800 52.037 0.063 0.000 0.742 409 A CB -1.396 17.631 19.000 0.045 0.000 0.790 409 A HN 0.333 nan 8.150 nan 0.000 0.472 410 T N -2.807 111.800 114.554 0.089 0.000 3.069 410 T HA 0.162 4.515 4.350 0.005 0.000 0.252 410 T C 0.852 175.577 174.700 0.042 0.000 1.053 410 T CA 0.592 62.733 62.100 0.069 0.000 0.964 410 T CB -0.683 68.240 68.868 0.091 0.000 1.005 410 T HN 0.463 nan 8.240 nan 0.000 0.532 411 T N 0.385 114.964 114.554 0.043 0.000 2.881 411 T HA 0.580 4.933 4.350 0.005 0.000 0.278 411 T C -0.584 174.097 174.700 -0.032 0.000 0.982 411 T CA -0.967 61.117 62.100 -0.027 0.000 0.989 411 T CB 1.451 70.300 68.868 -0.031 0.000 1.058 411 T HN 0.586 nan 8.240 nan 0.000 0.529 412 K N -0.020 120.338 120.400 -0.070 0.000 2.507 412 K HA 0.694 5.017 4.320 0.005 0.000 0.251 412 K C -0.850 175.709 176.600 -0.068 0.000 0.943 412 K CA -1.073 55.183 56.287 -0.052 0.000 0.794 412 K CB 1.828 34.305 32.500 -0.039 0.000 1.188 412 K HN 0.755 nan 8.250 nan 0.000 0.428 413 A N 3.457 126.249 122.820 -0.046 0.000 2.450 413 A HA 0.372 4.695 4.320 0.005 0.000 0.255 413 A C 0.220 177.780 177.584 -0.039 0.000 1.096 413 A CA -0.562 51.448 52.037 -0.045 0.000 0.778 413 A CB 0.404 19.388 19.000 -0.027 0.000 1.031 413 A HN 0.546 nan 8.150 nan 0.000 0.494 414 V N 0.000 119.889 119.914 -0.042 0.000 2.409 414 V HA 0.000 4.123 4.120 0.005 0.000 0.244 414 V CA 0.000 62.282 62.300 -0.031 0.000 1.235 414 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556