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 2pul_1_B DATA FIRST_RESID 7 DATA SEQUENCE PLYETLNESS AVALAVKLGL XXXXXXXTCQ EIGDGNLNYV FHIYXXXXXR DATA SEQUENCE ALIIKQAVPX XXXXXXXXPL TIDRARIESS ALIRQGEHVP HLVPRVFYSD DATA SEQUENCE TEMAVTVMED LSHLKIARKG LIEGENYPHL SQHIGEFLGK TLFYSSDYAL DATA SEQUENCE EPKVKKQLVK QFTNPELCDI TERLVFTDPF FDHDTNDFEE ELRPFVEKLW DATA SEQUENCE NNDSVKIEAA KLKKSFLTSA ETLIHGDLHT GSIFASEHET KVIDPEFAFY DATA SEQUENCE GPIGFDVGQF IANLFLNALS RDGADREPLY EHVNQVWETF EETFSEAWQK DATA SEQUENCE DSLDVYANID GYLTDTLSHI FEEAIGFAGC ELIRRTIGLA HVADLDTIVP DATA SEQUENCE FDKRIGRKRL ALETGTAFIE KRSEFKTITD VIELFKLLVK 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.347 177.300 0.078 0.000 1.155 7 P CA 0.000 63.138 63.100 0.063 0.000 0.800 7 P CB 0.000 31.743 31.700 0.071 0.000 0.726 8 L N 0.515 121.793 121.223 0.092 0.000 2.529 8 L HA 0.300 4.639 4.340 -0.001 0.000 0.223 8 L C 0.942 177.878 176.870 0.110 0.000 1.113 8 L CA 0.609 55.500 54.840 0.085 0.000 0.861 8 L CB -1.353 40.751 42.059 0.075 0.000 1.012 8 L HN 0.631 nan 8.230 nan 0.000 0.461 9 Y N 1.853 122.172 120.300 0.032 0.000 2.526 9 Y HA 0.436 4.985 4.550 -0.001 0.000 0.330 9 Y C 0.453 176.380 175.900 0.044 0.000 1.156 9 Y CA 0.686 58.809 58.100 0.040 0.000 1.419 9 Y CB 0.137 38.617 38.460 0.033 0.000 1.250 9 Y HN 0.479 nan 8.280 nan 0.000 0.540 10 E N 3.158 122.981 120.200 -0.628 0.000 2.290 10 E HA 0.387 4.736 4.350 -0.001 0.000 0.274 10 E C -0.849 175.378 176.600 -0.621 0.000 0.889 10 E CA -0.838 55.282 56.400 -0.465 0.000 0.760 10 E CB 1.145 30.736 29.700 -0.182 0.000 1.206 10 E HN 0.595 nan 8.360 nan 0.000 0.419 11 T N 3.227 117.563 114.554 -0.363 0.000 2.799 11 T HA 0.366 4.716 4.350 -0.001 0.000 0.296 11 T C 0.778 175.500 174.700 0.038 0.000 0.947 11 T CA -0.156 61.891 62.100 -0.088 0.000 1.141 11 T CB -0.405 68.567 68.868 0.174 0.000 0.891 11 T HN 0.449 nan 8.240 nan 0.000 0.533 12 L N 3.910 125.206 121.223 0.123 0.000 2.464 12 L HA 0.338 4.677 4.340 -0.001 0.000 0.264 12 L C 0.847 177.775 176.870 0.096 0.000 1.199 12 L CA -0.604 54.264 54.840 0.047 0.000 0.818 12 L CB 0.224 42.260 42.059 -0.038 0.000 1.102 12 L HN 0.763 nan 8.230 nan 0.000 0.473 13 N N -0.882 117.738 118.700 -0.134 0.000 2.966 13 N HA 0.272 5.011 4.740 -0.001 0.000 0.314 13 N C 0.019 175.278 175.510 -0.418 0.000 1.397 13 N CA -0.883 52.097 53.050 -0.117 0.000 0.776 13 N CB 0.627 39.082 38.487 -0.055 0.000 1.576 13 N HN 0.373 nan 8.380 nan 0.000 0.592 14 E N -0.343 119.756 120.200 -0.168 0.000 2.118 14 E HA -0.126 4.224 4.350 -0.001 0.000 0.195 14 E C 1.236 177.705 176.600 -0.218 0.000 0.992 14 E CA 1.844 58.132 56.400 -0.185 0.000 0.804 14 E CB -0.145 29.575 29.700 0.033 0.000 0.741 14 E HN 0.556 nan 8.360 nan 0.000 0.458 15 S N 0.247 115.854 115.700 -0.154 0.000 2.355 15 S HA -0.144 4.326 4.470 -0.001 0.000 0.222 15 S C 2.096 176.601 174.600 -0.158 0.000 1.031 15 S CA 1.235 59.362 58.200 -0.123 0.000 0.993 15 S CB -0.337 62.816 63.200 -0.078 0.000 0.859 15 S HN 0.386 nan 8.310 nan 0.000 0.453 16 S N 2.389 117.975 115.700 -0.191 0.000 2.447 16 S HA 0.133 4.602 4.470 -0.001 0.000 0.233 16 S C 1.974 176.429 174.600 -0.241 0.000 1.006 16 S CA 0.657 58.747 58.200 -0.183 0.000 0.957 16 S CB -0.502 62.609 63.200 -0.149 0.000 0.773 16 S HN 0.513 nan 8.310 nan 0.000 0.507 17 A N 1.716 124.293 122.820 -0.406 0.000 1.902 17 A HA 0.064 4.383 4.320 -0.001 0.000 0.217 17 A C 2.368 179.822 177.584 -0.217 0.000 1.181 17 A CA 1.587 53.369 52.037 -0.425 0.000 0.623 17 A CB -1.016 17.477 19.000 -0.845 0.000 0.818 17 A HN 0.411 nan 8.150 nan 0.000 0.443 18 V N -0.198 119.606 119.914 -0.182 0.000 2.379 18 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 18 V C 3.048 179.080 176.094 -0.104 0.000 1.044 18 V CA 1.678 63.910 62.300 -0.113 0.000 1.036 18 V CB -1.173 30.599 31.823 -0.085 0.000 0.664 18 V HN 0.617 nan 8.190 nan 0.000 0.453 19 A N 0.150 122.904 122.820 -0.110 0.000 1.873 19 A HA -0.263 4.056 4.320 -0.001 0.000 0.218 19 A C 2.189 179.715 177.584 -0.098 0.000 1.193 19 A CA 2.403 54.383 52.037 -0.095 0.000 0.629 19 A CB -0.712 18.233 19.000 -0.091 0.000 0.826 19 A HN 0.454 nan 8.150 nan 0.000 0.447 20 L N -0.278 120.880 121.223 -0.107 0.000 2.012 20 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 20 L C 2.695 179.495 176.870 -0.117 0.000 1.073 20 L CA 2.395 57.173 54.840 -0.104 0.000 0.748 20 L CB -0.940 41.072 42.059 -0.078 0.000 0.891 20 L HN 0.365 nan 8.230 nan 0.000 0.431 21 A N -0.834 121.927 122.820 -0.098 0.000 1.908 21 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 21 A C 2.419 179.937 177.584 -0.109 0.000 1.181 21 A CA 2.594 54.574 52.037 -0.095 0.000 0.627 21 A CB -1.612 17.342 19.000 -0.077 0.000 0.818 21 A HN 0.521 nan 8.150 nan 0.000 0.445 22 V N -0.746 119.108 119.914 -0.100 0.000 2.379 22 V HA -0.043 4.076 4.120 -0.001 0.000 0.245 22 V C 2.715 178.751 176.094 -0.098 0.000 1.044 22 V CA 3.355 65.599 62.300 -0.093 0.000 1.036 22 V CB -1.557 30.218 31.823 -0.079 0.000 0.664 22 V HN 0.604 nan 8.190 nan 0.000 0.453 23 K N 0.084 120.422 120.400 -0.104 0.000 2.211 23 K HA 0.058 4.377 4.320 -0.001 0.000 0.204 23 K C 1.860 178.377 176.600 -0.138 0.000 1.047 23 K CA 1.737 57.959 56.287 -0.107 0.000 0.935 23 K CB -0.835 31.603 32.500 -0.103 0.000 0.728 23 K HN 0.707 nan 8.250 nan 0.000 0.452 24 L N -0.963 120.155 121.223 -0.175 0.000 2.591 24 L HA 0.216 4.556 4.340 -0.001 0.000 0.228 24 L C 1.724 178.508 176.870 -0.142 0.000 1.133 24 L CA 0.496 55.206 54.840 -0.216 0.000 0.880 24 L CB 0.125 42.000 42.059 -0.307 0.000 1.033 24 L HN 0.586 nan 8.230 nan 0.000 0.450 25 G N -0.000 108.730 108.800 -0.116 0.000 2.153 25 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.252 25 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.252 25 G C 0.250 175.086 174.900 -0.106 0.000 0.994 25 G CA 0.426 45.469 45.100 -0.095 0.000 0.698 25 G HN 0.318 nan 8.290 nan 0.000 0.521 35 C N 1.828 121.193 119.300 0.107 0.000 2.535 35 C HA 0.942 5.402 4.460 -0.001 0.000 0.319 35 C C -0.434 174.656 174.990 0.168 0.000 1.171 35 C CA 0.618 59.721 59.018 0.141 0.000 1.394 35 C CB 0.457 28.243 27.740 0.078 0.000 1.990 35 C HN 1.438 nan 8.230 nan 0.000 0.466 36 Q N 2.225 122.160 119.800 0.225 0.000 2.323 36 Q HA 0.728 5.068 4.340 -0.001 0.000 0.271 36 Q C -0.406 175.716 176.000 0.203 0.000 1.048 36 Q CA 0.189 56.101 55.803 0.182 0.000 0.792 36 Q CB 1.378 30.190 28.738 0.123 0.000 1.280 36 Q HN 1.391 nan 8.270 nan 0.000 0.441 37 E N 1.268 121.541 120.200 0.122 0.000 2.180 37 E HA 0.535 4.885 4.350 -0.001 0.000 0.283 37 E C 0.493 177.068 176.600 -0.043 0.000 1.061 37 E CA 0.187 56.534 56.400 -0.089 0.000 0.861 37 E CB -0.090 29.436 29.700 -0.289 0.000 1.056 37 E HN 1.326 nan 8.360 nan 0.000 0.407 38 I N 0.213 120.769 120.570 -0.024 0.000 4.009 38 I HA 0.414 4.583 4.170 -0.001 0.000 0.331 38 I C 1.064 177.201 176.117 0.033 0.000 1.462 38 I CA -0.434 60.880 61.300 0.023 0.000 1.117 38 I CB 0.750 38.781 38.000 0.052 0.000 1.091 38 I HN 0.487 nan 8.210 nan 0.000 0.410 39 G N 1.603 110.412 108.800 0.016 0.000 2.305 39 G HA2 0.257 4.216 3.960 -0.001 0.000 0.243 39 G HA3 0.257 4.216 3.960 -0.001 0.000 0.243 39 G C 0.046 174.978 174.900 0.053 0.000 1.288 39 G CA 0.470 45.597 45.100 0.045 0.000 0.901 39 G HN 0.593 nan 8.290 nan 0.000 0.516 40 D N 1.049 121.481 120.400 0.054 0.000 3.139 40 D HA 0.598 5.238 4.640 -0.001 0.000 0.268 40 D C 0.652 176.980 176.300 0.048 0.000 1.322 40 D CA 0.304 54.333 54.000 0.048 0.000 0.940 40 D CB 0.154 40.980 40.800 0.043 0.000 1.050 40 D HN 1.084 nan 8.370 nan 0.000 0.503 41 G N 0.305 109.134 108.800 0.047 0.000 2.328 41 G HA2 0.348 4.308 3.960 -0.001 0.000 0.295 41 G HA3 0.348 4.308 3.960 -0.001 0.000 0.295 41 G C 0.144 175.063 174.900 0.031 0.000 1.413 41 G CA -0.030 45.094 45.100 0.041 0.000 0.817 41 G HN 0.343 nan 8.290 nan 0.000 0.546 42 N N -0.654 118.055 118.700 0.016 0.000 2.236 42 N HA 0.114 4.853 4.740 -0.001 0.000 0.196 42 N C 1.512 176.985 175.510 -0.062 0.000 1.114 42 N CA 0.144 53.191 53.050 -0.005 0.000 0.859 42 N CB 0.367 38.860 38.487 0.010 0.000 0.982 42 N HN 0.357 nan 8.380 nan 0.000 0.493 43 L N -0.694 120.497 121.223 -0.054 0.000 2.513 43 L HA 0.253 4.593 4.340 -0.001 0.000 0.222 43 L C -0.201 176.594 176.870 -0.123 0.000 1.096 43 L CA 0.294 55.086 54.840 -0.080 0.000 0.857 43 L CB -0.014 42.022 42.059 -0.037 0.000 1.026 43 L HN 0.087 nan 8.230 nan 0.000 0.469 44 N N -1.297 117.334 118.700 -0.116 0.000 2.229 44 N HA 0.306 5.045 4.740 -0.001 0.000 0.298 44 N C -1.440 173.998 175.510 -0.119 0.000 1.114 44 N CA -0.472 52.513 53.050 -0.109 0.000 0.776 44 N CB 1.781 40.266 38.487 -0.003 0.000 1.501 44 N HN -0.096 nan 8.380 nan 0.000 0.474 45 Y N 0.191 120.462 120.300 -0.048 0.000 2.308 45 Y HA 0.399 4.949 4.550 -0.001 0.000 0.329 45 Y C 0.293 176.024 175.900 -0.282 0.000 1.111 45 Y CA -0.817 57.130 58.100 -0.255 0.000 1.179 45 Y CB 1.468 39.698 38.460 -0.383 0.000 1.201 45 Y HN 0.067 nan 8.280 nan 0.000 0.483 46 V N 4.873 124.677 119.914 -0.184 0.000 2.376 46 V HA 0.257 4.377 4.120 -0.001 0.000 0.287 46 V C -0.914 175.065 176.094 -0.191 0.000 1.015 46 V CA -0.950 61.302 62.300 -0.081 0.000 0.834 46 V CB 0.574 32.429 31.823 0.055 0.000 1.001 46 V HN 0.493 nan 8.190 nan 0.000 0.428 47 F N 3.629 123.679 119.950 0.166 0.000 2.385 47 F HA 0.424 4.951 4.527 -0.000 0.000 0.360 47 F C 0.561 176.456 175.800 0.158 0.000 1.122 47 F CA -0.406 57.675 58.000 0.134 0.000 1.090 47 F CB 0.755 39.810 39.000 0.091 0.000 1.150 47 F HN 0.498 nan 8.300 nan 0.000 0.472 48 H N 5.467 124.685 119.070 0.246 0.000 2.604 48 H HA 0.519 5.075 4.556 -0.000 0.000 0.306 48 H C -0.899 174.541 175.328 0.186 0.000 1.075 48 H CA -0.240 55.922 56.048 0.189 0.000 1.357 48 H CB 0.746 30.591 29.762 0.140 0.000 1.426 48 H HN 0.588 nan 8.280 nan 0.000 0.470 49 I N 6.177 126.617 120.570 -0.216 0.000 2.465 49 I HA 0.163 4.333 4.170 -0.001 0.000 0.291 49 I C -0.922 175.099 176.117 -0.161 0.000 1.014 49 I CA -0.849 60.397 61.300 -0.090 0.000 1.093 49 I CB 1.648 39.621 38.000 -0.045 0.000 1.267 49 I HN 0.491 nan 8.210 nan 0.000 0.431 57 A N 0.803 123.540 122.820 -0.138 0.000 2.569 57 A HA 0.993 5.312 4.320 -0.001 0.000 0.290 57 A C -1.803 175.729 177.584 -0.086 0.000 1.136 57 A CA -0.665 51.320 52.037 -0.087 0.000 0.710 57 A CB 1.955 21.029 19.000 0.123 0.000 1.303 57 A HN 1.718 nan 8.150 nan 0.000 0.413 58 L N 0.277 121.421 121.223 -0.132 0.000 2.506 58 L HA 0.633 4.973 4.340 -0.001 0.000 0.257 58 L C -1.611 175.266 176.870 0.012 0.000 0.964 58 L CA -0.337 54.493 54.840 -0.017 0.000 0.836 58 L CB 2.063 44.098 42.059 -0.040 0.000 1.384 58 L HN 0.624 nan 8.230 nan 0.000 0.410 59 I N 4.311 124.970 120.570 0.149 0.000 2.433 59 I HA 0.458 4.627 4.170 -0.001 0.000 0.292 59 I C -0.456 175.796 176.117 0.226 0.000 1.001 59 I CA -0.362 61.054 61.300 0.195 0.000 1.119 59 I CB 1.765 39.895 38.000 0.217 0.000 1.289 59 I HN 0.445 nan 8.210 nan 0.000 0.438 60 I N 5.850 126.581 120.570 0.269 0.000 2.382 60 I HA 0.324 4.494 4.170 -0.001 0.000 0.285 60 I C 0.058 176.384 176.117 0.349 0.000 1.007 60 I CA -0.692 60.790 61.300 0.304 0.000 1.142 60 I CB 1.654 39.826 38.000 0.288 0.000 1.289 60 I HN 0.438 nan 8.210 nan 0.000 0.453 61 K N 6.572 127.131 120.400 0.265 0.000 2.185 61 K HA 0.420 4.739 4.320 -0.001 0.000 0.269 61 K C -0.885 175.857 176.600 0.236 0.000 0.987 61 K CA -0.471 55.947 56.287 0.219 0.000 0.865 61 K CB 1.513 34.111 32.500 0.165 0.000 1.090 61 K HN 0.580 nan 8.250 nan 0.000 0.450 62 Q N 2.868 122.816 119.800 0.246 0.000 2.323 62 Q HA 0.448 4.787 4.340 -0.001 0.000 0.271 62 Q C -1.486 174.607 176.000 0.154 0.000 1.048 62 Q CA -0.789 55.163 55.803 0.248 0.000 0.792 62 Q CB 1.978 30.931 28.738 0.358 0.000 1.280 62 Q HN 0.795 nan 8.270 nan 0.000 0.441 63 A N 2.504 125.405 122.820 0.134 0.000 2.440 63 A HA 0.586 4.906 4.320 -0.001 0.000 0.251 63 A C -0.253 177.371 177.584 0.067 0.000 1.089 63 A CA 0.119 52.187 52.037 0.051 0.000 0.779 63 A CB 0.155 19.165 19.000 0.018 0.000 1.022 63 A HN 0.690 nan 8.150 nan 0.000 0.492 64 V N 3.228 123.108 119.914 -0.057 0.000 2.483 64 V HA 0.660 4.780 4.120 -0.001 0.000 0.295 64 V C -2.006 174.045 176.094 -0.071 0.000 1.035 64 V CA -2.261 60.007 62.300 -0.053 0.000 0.896 64 V CB 0.889 32.567 31.823 -0.242 0.000 0.986 64 V HN 0.794 nan 8.190 nan 0.000 0.447 76 L N 0.864 122.059 121.223 -0.047 0.000 2.505 76 L HA 0.581 4.920 4.340 -0.001 0.000 0.266 76 L C 0.062 176.884 176.870 -0.081 0.000 0.954 76 L CA -0.126 54.676 54.840 -0.064 0.000 0.852 76 L CB 2.225 44.243 42.059 -0.067 0.000 1.282 76 L HN 0.648 nan 8.230 nan 0.000 0.403 77 T N 3.628 118.131 114.554 -0.086 0.000 2.939 77 T HA 0.091 4.440 4.350 -0.001 0.000 0.319 77 T C 1.698 176.331 174.700 -0.113 0.000 1.082 77 T CA 0.589 62.630 62.100 -0.099 0.000 1.133 77 T CB 0.094 68.910 68.868 -0.087 0.000 1.019 77 T HN 0.571 nan 8.240 nan 0.000 0.548 78 I N 1.186 121.671 120.570 -0.141 0.000 3.444 78 I HA 0.189 4.358 4.170 -0.001 0.000 0.287 78 I C 1.671 177.731 176.117 -0.096 0.000 1.302 78 I CA 0.708 61.924 61.300 -0.140 0.000 1.368 78 I CB -0.358 37.495 38.000 -0.245 0.000 1.048 78 I HN 0.560 nan 8.210 nan 0.000 0.487 79 D N 2.617 122.963 120.400 -0.091 0.000 2.263 79 D HA -0.227 4.412 4.640 -0.001 0.000 0.208 79 D C 2.390 178.655 176.300 -0.059 0.000 0.971 79 D CA 1.213 55.172 54.000 -0.070 0.000 0.867 79 D CB -0.004 40.755 40.800 -0.068 0.000 0.929 79 D HN 0.527 nan 8.370 nan 0.000 0.492 80 R N 0.163 120.619 120.500 -0.072 0.000 2.139 80 R HA -0.127 4.213 4.340 -0.001 0.000 0.243 80 R C 2.096 178.379 176.300 -0.030 0.000 1.145 80 R CA 1.412 57.470 56.100 -0.071 0.000 0.976 80 R CB -0.651 29.578 30.300 -0.119 0.000 0.866 80 R HN 0.139 nan 8.270 nan 0.000 0.449 81 A N 1.928 124.737 122.820 -0.018 0.000 1.930 81 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 81 A C 2.320 179.910 177.584 0.010 0.000 1.175 81 A CA 1.235 53.280 52.037 0.013 0.000 0.627 81 A CB -0.568 18.453 19.000 0.035 0.000 0.815 81 A HN 0.424 nan 8.150 nan 0.000 0.443 82 R N -0.192 120.302 120.500 -0.011 0.000 2.081 82 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 82 R C 1.839 178.134 176.300 -0.008 0.000 1.131 82 R CA 1.708 57.791 56.100 -0.028 0.000 0.960 82 R CB -0.339 29.928 30.300 -0.056 0.000 0.856 82 R HN 0.431 nan 8.270 nan 0.000 0.436 83 I N 1.457 122.037 120.570 0.016 0.000 2.127 83 I HA -0.282 3.887 4.170 -0.001 0.000 0.241 83 I C 2.454 178.672 176.117 0.168 0.000 1.075 83 I CA 1.627 62.998 61.300 0.117 0.000 1.334 83 I CB -1.446 36.629 38.000 0.125 0.000 1.040 83 I HN 0.406 nan 8.210 nan 0.000 0.405 84 E N 0.973 121.228 120.200 0.091 0.000 2.049 84 E HA -0.218 4.132 4.350 -0.001 0.000 0.198 84 E C 2.310 178.966 176.600 0.093 0.000 1.007 84 E CA 2.189 58.638 56.400 0.082 0.000 0.809 84 E CB 0.147 29.880 29.700 0.056 0.000 0.749 84 E HN 0.386 nan 8.360 nan 0.000 0.450 85 S N 0.129 115.871 115.700 0.071 0.000 2.356 85 S HA -0.133 4.337 4.470 -0.001 0.000 0.223 85 S C 2.170 176.820 174.600 0.084 0.000 1.032 85 S CA 1.202 59.434 58.200 0.054 0.000 1.005 85 S CB -0.234 62.972 63.200 0.010 0.000 0.867 85 S HN 0.216 nan 8.310 nan 0.000 0.449 86 S N 1.665 117.436 115.700 0.119 0.000 2.368 86 S HA -0.050 4.419 4.470 -0.001 0.000 0.225 86 S C 2.267 177.078 174.600 0.351 0.000 1.030 86 S CA 1.013 59.335 58.200 0.204 0.000 0.999 86 S CB -0.529 62.740 63.200 0.116 0.000 0.844 86 S HN 0.603 nan 8.310 nan 0.000 0.459 87 A N 1.237 124.276 122.820 0.365 0.000 1.902 87 A HA 0.023 4.343 4.320 -0.001 0.000 0.217 87 A C 2.119 179.766 177.584 0.105 0.000 1.181 87 A CA 1.062 53.199 52.037 0.167 0.000 0.623 87 A CB -0.675 18.384 19.000 0.098 0.000 0.818 87 A HN 0.445 nan 8.150 nan 0.000 0.443 88 L N -0.690 120.598 121.223 0.109 0.000 2.046 88 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 88 L C 2.474 179.380 176.870 0.060 0.000 1.077 88 L CA 1.173 56.067 54.840 0.090 0.000 0.747 88 L CB -0.411 41.689 42.059 0.070 0.000 0.896 88 L HN 0.395 nan 8.230 nan 0.000 0.432 89 I N -0.839 119.764 120.570 0.056 0.000 2.202 89 I HA -0.292 3.878 4.170 -0.001 0.000 0.242 89 I C 2.782 178.909 176.117 0.017 0.000 1.091 89 I CA 1.183 62.499 61.300 0.027 0.000 1.368 89 I CB -0.295 37.724 38.000 0.031 0.000 1.058 89 I HN 0.172 nan 8.210 nan 0.000 0.410 90 R N 0.372 120.906 120.500 0.057 0.000 2.081 90 R HA -0.211 4.128 4.340 -0.001 0.000 0.235 90 R C 2.348 178.643 176.300 -0.007 0.000 1.131 90 R CA 1.603 57.720 56.100 0.030 0.000 0.960 90 R CB -0.276 30.066 30.300 0.070 0.000 0.856 90 R HN 0.475 nan 8.270 nan 0.000 0.436 91 Q N -1.007 118.810 119.800 0.029 0.000 2.084 91 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 91 Q C 2.074 178.085 176.000 0.017 0.000 0.978 91 Q CA 1.493 57.321 55.803 0.042 0.000 0.844 91 Q CB -0.218 28.593 28.738 0.121 0.000 0.898 91 Q HN 0.464 nan 8.270 nan 0.000 0.426 92 G N 0.124 108.925 108.800 0.001 0.000 2.498 92 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.219 92 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.219 92 G C 1.345 176.192 174.900 -0.088 0.000 1.119 92 G CA 1.093 46.179 45.100 -0.023 0.000 0.766 92 G HN 0.512 nan 8.290 nan 0.000 0.552 93 E N 0.278 120.355 120.200 -0.205 0.000 2.208 93 E HA -0.040 4.309 4.350 -0.001 0.000 0.193 93 E C 1.960 178.280 176.600 -0.466 0.000 0.988 93 E CA 1.507 57.682 56.400 -0.374 0.000 0.828 93 E CB -0.624 28.749 29.700 -0.544 0.000 0.763 93 E HN 0.799 nan 8.360 nan 0.000 0.478 94 H N -1.483 117.545 119.070 -0.070 0.000 2.594 94 H HA 0.304 4.860 4.556 -0.001 0.000 0.274 94 H C 0.885 176.197 175.328 -0.026 0.000 0.982 94 H CA 0.705 56.683 56.048 -0.117 0.000 1.228 94 H CB 1.516 31.174 29.762 -0.173 0.000 1.447 94 H HN 0.346 nan 8.280 nan 0.000 0.485 95 V N -0.296 119.676 119.914 0.098 0.000 2.405 95 V HA 0.271 4.390 4.120 -0.001 0.000 0.253 95 V C -2.282 173.845 176.094 0.055 0.000 0.963 95 V CA -1.460 60.892 62.300 0.087 0.000 1.003 95 V CB 1.231 33.049 31.823 -0.009 0.000 1.251 95 V HN 0.066 nan 8.190 nan 0.000 0.520 96 P HA -0.168 nan 4.420 nan 0.000 0.220 96 P C 1.371 178.737 177.300 0.109 0.000 1.148 96 P CA 1.780 64.935 63.100 0.092 0.000 0.803 96 P CB -0.085 31.661 31.700 0.076 0.000 0.782 97 H N -0.640 118.434 119.070 0.007 0.000 2.559 97 H HA 0.099 4.655 4.556 -0.001 0.000 0.273 97 H C 1.323 176.637 175.328 -0.024 0.000 1.000 97 H CA 0.490 56.529 56.048 -0.014 0.000 1.195 97 H CB -0.976 28.763 29.762 -0.038 0.000 1.368 97 H HN 0.212 nan 8.280 nan 0.000 0.592 98 L N 1.103 122.127 121.223 -0.331 0.000 2.906 98 L HA 0.245 4.585 4.340 -0.001 0.000 0.255 98 L C -0.139 176.696 176.870 -0.058 0.000 1.166 98 L CA -0.336 54.354 54.840 -0.249 0.000 0.977 98 L CB 1.064 42.964 42.059 -0.266 0.000 1.313 98 L HN 0.100 nan 8.230 nan 0.000 0.549 99 V N -4.192 115.722 119.914 0.001 0.000 3.049 99 V HA 0.631 4.751 4.120 -0.001 0.000 0.309 99 V C -2.813 173.298 176.094 0.029 0.000 1.148 99 V CA -2.182 60.147 62.300 0.049 0.000 0.990 99 V CB 1.769 33.671 31.823 0.132 0.000 1.039 99 V HN -0.145 nan 8.190 nan 0.000 0.430 100 P HA 0.254 nan 4.420 nan 0.000 0.268 100 P C -0.444 176.817 177.300 -0.065 0.000 1.205 100 P CA -0.027 63.078 63.100 0.009 0.000 0.771 100 P CB 0.531 32.258 31.700 0.044 0.000 0.858 101 R N 1.207 121.619 120.500 -0.148 0.000 2.643 101 R HA 0.323 4.662 4.340 -0.001 0.000 0.270 101 R C -0.252 175.706 176.300 -0.569 0.000 1.061 101 R CA -0.475 55.429 56.100 -0.326 0.000 1.107 101 R CB 0.372 30.446 30.300 -0.377 0.000 0.999 101 R HN 0.297 nan 8.270 nan 0.000 0.460 102 V N 4.294 123.920 119.914 -0.480 0.000 2.417 102 V HA 0.192 4.311 4.120 -0.001 0.000 0.291 102 V C 0.095 175.943 176.094 -0.409 0.000 1.024 102 V CA -0.216 61.863 62.300 -0.368 0.000 0.861 102 V CB 1.339 33.090 31.823 -0.121 0.000 0.985 102 V HN 0.716 nan 8.190 nan 0.000 0.436 103 F N 3.375 123.385 119.950 0.100 0.000 2.582 103 F HA 0.349 4.875 4.527 -0.001 0.000 0.290 103 F C 0.401 176.316 175.800 0.192 0.000 1.115 103 F CA 0.016 58.084 58.000 0.115 0.000 1.445 103 F CB 0.399 39.456 39.000 0.095 0.000 1.126 103 F HN 0.465 nan 8.300 nan 0.000 0.574 104 Y N 0.009 120.416 120.300 0.178 0.000 2.604 104 Y HA 0.493 5.042 4.550 -0.001 0.000 0.331 104 Y C -1.086 174.869 175.900 0.093 0.000 1.158 104 Y CA -1.425 56.746 58.100 0.119 0.000 1.056 104 Y CB 1.459 39.989 38.460 0.117 0.000 1.330 104 Y HN -0.119 nan 8.280 nan 0.000 0.457 105 S N 2.915 118.210 115.700 -0.676 0.000 2.556 105 S HA 0.664 5.134 4.470 -0.001 0.000 0.271 105 S C -2.124 172.035 174.600 -0.735 0.000 1.135 105 S CA -0.761 57.141 58.200 -0.498 0.000 0.858 105 S CB 2.356 65.439 63.200 -0.195 0.000 1.114 105 S HN 0.670 nan 8.310 nan 0.000 0.468 106 D N 0.013 120.208 120.400 -0.342 0.000 2.891 106 D HA 0.484 5.124 4.640 -0.001 0.000 0.224 106 D C 0.695 176.973 176.300 -0.037 0.000 1.321 106 D CA -0.329 53.560 54.000 -0.185 0.000 0.929 106 D CB 1.997 42.775 40.800 -0.036 0.000 1.551 106 D HN 0.432 nan 8.370 nan 0.000 0.574 107 T N 1.855 116.390 114.554 -0.032 0.000 2.737 107 T HA -0.080 4.270 4.350 -0.001 0.000 0.265 107 T C 1.920 176.645 174.700 0.042 0.000 1.038 107 T CA 2.087 64.184 62.100 -0.006 0.000 1.144 107 T CB -0.249 68.603 68.868 -0.027 0.000 0.866 107 T HN 0.583 nan 8.240 nan 0.000 0.434 108 E N 1.664 121.901 120.200 0.061 0.000 2.051 108 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 108 E C 1.974 178.714 176.600 0.233 0.000 0.991 108 E CA 1.332 57.798 56.400 0.110 0.000 0.799 108 E CB -0.742 29.015 29.700 0.094 0.000 0.748 108 E HN 0.317 nan 8.360 nan 0.000 0.449 109 M N -1.091 118.638 119.600 0.215 0.000 2.619 109 M HA 0.397 4.876 4.480 -0.001 0.000 0.251 109 M C 1.655 178.166 176.300 0.352 0.000 1.106 109 M CA 0.784 56.245 55.300 0.268 0.000 1.086 109 M CB -0.376 32.315 32.600 0.153 0.000 1.465 109 M HN 0.718 nan 8.290 nan 0.000 0.506 110 A N 1.059 124.025 122.820 0.244 0.000 2.745 110 A HA -0.114 4.205 4.320 -0.001 0.000 0.296 110 A C 0.377 178.068 177.584 0.178 0.000 1.500 110 A CA 0.756 52.900 52.037 0.179 0.000 0.766 110 A CB -2.565 16.538 19.000 0.172 0.000 1.030 110 A HN 0.502 nan 8.150 nan 0.000 0.489 111 V N -2.992 117.014 119.914 0.153 0.000 2.581 111 V HA 0.961 5.081 4.120 -0.001 0.000 0.303 111 V C 0.075 176.239 176.094 0.116 0.000 1.041 111 V CA -0.101 62.300 62.300 0.169 0.000 0.907 111 V CB 2.043 33.999 31.823 0.221 0.000 0.994 111 V HN 0.790 nan 8.190 nan 0.000 0.442 112 T N 3.378 118.016 114.554 0.141 0.000 2.812 112 T HA 0.606 4.955 4.350 -0.001 0.000 0.282 112 T C -0.468 174.345 174.700 0.187 0.000 0.990 112 T CA -0.409 61.764 62.100 0.123 0.000 0.960 112 T CB 1.564 70.488 68.868 0.093 0.000 0.948 112 T HN 0.691 nan 8.240 nan 0.000 0.438 113 V N 5.741 125.792 119.914 0.227 0.000 2.370 113 V HA 0.677 4.797 4.120 -0.001 0.000 0.279 113 V C 0.085 176.346 176.094 0.278 0.000 1.029 113 V CA -0.603 61.871 62.300 0.290 0.000 0.870 113 V CB 0.689 32.733 31.823 0.368 0.000 0.984 113 V HN 0.956 nan 8.190 nan 0.000 0.451 114 M N 2.064 121.829 119.600 0.276 0.000 2.664 114 M HA 0.678 5.158 4.480 -0.001 0.000 0.279 114 M C -0.454 176.020 176.300 0.291 0.000 1.275 114 M CA -0.800 54.580 55.300 0.133 0.000 0.829 114 M CB 2.079 34.718 32.600 0.065 0.000 1.727 114 M HN 0.497 nan 8.290 nan 0.000 0.459 115 E N 1.593 121.885 120.200 0.155 0.000 2.502 115 E HA -0.080 4.270 4.350 -0.001 0.000 0.261 115 E C -1.051 175.673 176.600 0.208 0.000 0.974 115 E CA 0.229 56.804 56.400 0.291 0.000 0.936 115 E CB 0.522 30.299 29.700 0.127 0.000 0.926 115 E HN 0.659 nan 8.360 nan 0.000 0.459 116 D N 4.132 124.661 120.400 0.215 0.000 2.348 116 D HA 0.055 4.695 4.640 -0.001 0.000 0.253 116 D C -0.121 176.261 176.300 0.136 0.000 1.161 116 D CA 0.049 54.159 54.000 0.184 0.000 0.876 116 D CB 0.592 41.524 40.800 0.220 0.000 1.160 116 D HN 0.441 nan 8.370 nan 0.000 0.459 117 L N 3.220 124.403 121.223 -0.066 0.000 3.110 117 L HA 0.183 4.523 4.340 -0.001 0.000 0.266 117 L C 1.671 178.149 176.870 -0.653 0.000 1.257 117 L CA -0.288 54.314 54.840 -0.397 0.000 1.038 117 L CB 0.213 41.847 42.059 -0.709 0.000 1.395 117 L HN 0.325 nan 8.230 nan 0.000 0.566 118 S N -0.023 115.564 115.700 -0.189 0.000 2.440 118 S HA -0.161 4.309 4.470 -0.001 0.000 0.238 118 S C 1.882 176.423 174.600 -0.099 0.000 1.010 118 S CA 1.324 59.443 58.200 -0.135 0.000 0.972 118 S CB -0.323 62.859 63.200 -0.029 0.000 0.774 118 S HN 0.635 nan 8.310 nan 0.000 0.501 119 H N -0.061 118.952 119.070 -0.095 0.000 2.556 119 H HA 0.288 4.843 4.556 -0.001 0.000 0.268 119 H C 0.534 175.851 175.328 -0.018 0.000 0.996 119 H CA 0.105 56.133 56.048 -0.033 0.000 1.157 119 H CB -0.362 29.398 29.762 -0.003 0.000 1.355 119 H HN 0.319 nan 8.280 nan 0.000 0.597 120 L N 0.587 121.506 121.223 -0.507 0.000 2.331 120 L HA 0.434 4.774 4.340 -0.001 0.000 0.268 120 L C 0.159 177.055 176.870 0.043 0.000 1.015 120 L CA -1.098 53.583 54.840 -0.264 0.000 0.807 120 L CB 1.820 43.641 42.059 -0.397 0.000 1.293 120 L HN -0.051 nan 8.230 nan 0.000 0.451 121 K N 0.831 121.346 120.400 0.192 0.000 2.316 121 K HA 0.436 4.756 4.320 -0.001 0.000 0.251 121 K C -0.815 175.903 176.600 0.197 0.000 0.934 121 K CA -0.841 55.586 56.287 0.233 0.000 0.802 121 K CB 1.489 34.102 32.500 0.188 0.000 1.171 121 K HN 0.323 nan 8.250 nan 0.000 0.426 122 I N 3.910 124.514 120.570 0.057 0.000 2.741 122 I HA -0.091 4.079 4.170 -0.001 0.000 0.288 122 I C 1.499 177.570 176.117 -0.078 0.000 1.192 122 I CA 0.627 61.816 61.300 -0.184 0.000 1.426 122 I CB 0.427 38.301 38.000 -0.210 0.000 1.367 122 I HN 0.906 nan 8.210 nan 0.000 0.563 123 A N 7.758 130.487 122.820 -0.151 0.000 1.933 123 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 123 A C 2.400 180.017 177.584 0.054 0.000 1.175 123 A CA 1.336 53.316 52.037 -0.096 0.000 0.628 123 A CB -0.372 18.508 19.000 -0.201 0.000 0.814 123 A HN 0.814 nan 8.150 nan 0.000 0.444 124 R N -0.107 120.393 120.500 -0.001 0.000 2.083 124 R HA -0.204 4.135 4.340 -0.001 0.000 0.237 124 R C 2.330 178.656 176.300 0.045 0.000 1.137 124 R CA 2.081 58.194 56.100 0.023 0.000 0.951 124 R CB -0.299 30.014 30.300 0.021 0.000 0.851 124 R HN 0.573 nan 8.270 nan 0.000 0.434 125 K N -0.689 119.737 120.400 0.043 0.000 2.032 125 K HA -0.132 4.188 4.320 -0.001 0.000 0.209 125 K C 1.975 178.624 176.600 0.082 0.000 1.048 125 K CA 1.814 58.133 56.287 0.053 0.000 0.927 125 K CB -0.432 32.096 32.500 0.048 0.000 0.712 125 K HN 0.357 nan 8.250 nan 0.000 0.441 126 G N 1.334 110.232 108.800 0.163 0.000 2.418 126 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 126 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 126 G C 1.531 176.469 174.900 0.064 0.000 1.158 126 G CA 0.783 46.000 45.100 0.195 0.000 0.771 126 G HN 0.229 nan 8.290 nan 0.000 0.545 127 L N 0.032 121.334 121.223 0.132 0.000 2.046 127 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 127 L C 2.839 179.700 176.870 -0.015 0.000 1.077 127 L CA 0.727 55.586 54.840 0.032 0.000 0.747 127 L CB -0.310 41.785 42.059 0.059 0.000 0.896 127 L HN 0.196 nan 8.230 nan 0.000 0.432 128 I N -0.381 120.190 120.570 0.001 0.000 2.286 128 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 128 I C 2.181 178.288 176.117 -0.017 0.000 1.115 128 I CA 1.269 62.562 61.300 -0.010 0.000 1.392 128 I CB -0.238 37.763 38.000 0.001 0.000 1.065 128 I HN 0.284 nan 8.210 nan 0.000 0.418 129 E N 0.391 120.582 120.200 -0.014 0.000 2.418 129 E HA -0.030 4.320 4.350 -0.001 0.000 0.197 129 E C 1.520 178.090 176.600 -0.050 0.000 1.026 129 E CA 0.659 57.046 56.400 -0.023 0.000 0.862 129 E CB 0.078 29.771 29.700 -0.011 0.000 0.799 129 E HN 0.628 nan 8.360 nan 0.000 0.518 130 G N 1.315 110.071 108.800 -0.073 0.000 2.179 130 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.220 130 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.220 130 G C -0.085 174.721 174.900 -0.157 0.000 0.990 130 G CA -0.358 44.684 45.100 -0.097 0.000 0.646 130 G HN 0.089 nan 8.290 nan 0.000 0.517 131 E N 0.460 120.518 120.200 -0.237 0.000 2.413 131 E HA 0.195 4.545 4.350 -0.001 0.000 0.263 131 E C 0.711 177.022 176.600 -0.482 0.000 1.015 131 E CA -0.119 56.008 56.400 -0.456 0.000 0.916 131 E CB 0.490 29.689 29.700 -0.836 0.000 0.947 131 E HN 0.306 nan 8.360 nan 0.000 0.440 132 N N 1.006 119.453 118.700 -0.422 0.000 2.227 132 N HA -0.019 4.721 4.740 -0.001 0.000 0.196 132 N C -0.522 174.997 175.510 0.015 0.000 1.142 132 N CA -0.044 52.896 53.050 -0.183 0.000 0.887 132 N CB 0.155 38.560 38.487 -0.137 0.000 1.022 132 N HN 0.441 nan 8.380 nan 0.000 0.500 133 Y N 0.480 120.798 120.300 0.029 0.000 2.945 133 Y HA -0.150 4.399 4.550 -0.001 0.000 0.161 133 Y C -1.381 174.536 175.900 0.028 0.000 1.672 133 Y CA -0.771 57.335 58.100 0.010 0.000 0.920 133 Y CB -1.155 37.303 38.460 -0.003 0.000 1.489 133 Y HN 0.190 nan 8.280 nan 0.000 0.354 134 P HA -0.198 nan 4.420 nan 0.000 0.219 134 P C 0.468 177.616 177.300 -0.252 0.000 1.146 134 P CA 2.049 65.016 63.100 -0.222 0.000 0.808 134 P CB 0.125 31.532 31.700 -0.488 0.000 0.779 135 H N -2.249 116.833 119.070 0.019 0.000 2.586 135 H HA 0.174 4.729 4.556 -0.001 0.000 0.273 135 H C 1.797 176.945 175.328 -0.300 0.000 0.997 135 H CA -0.460 55.458 56.048 -0.217 0.000 1.177 135 H CB -0.177 29.317 29.762 -0.446 0.000 1.471 135 H HN -0.041 nan 8.280 nan 0.000 0.538 136 L N 0.247 121.455 121.223 -0.026 0.000 2.013 136 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 136 L C 2.086 178.911 176.870 -0.075 0.000 1.073 136 L CA 1.575 56.354 54.840 -0.102 0.000 0.753 136 L CB -0.475 41.440 42.059 -0.240 0.000 0.890 136 L HN 0.105 nan 8.230 nan 0.000 0.432 137 S N -1.117 114.582 115.700 -0.002 0.000 2.356 137 S HA -0.270 4.199 4.470 -0.001 0.000 0.223 137 S C 2.175 176.839 174.600 0.107 0.000 1.032 137 S CA 1.559 59.843 58.200 0.141 0.000 1.005 137 S CB -0.485 62.922 63.200 0.345 0.000 0.867 137 S HN 0.744 nan 8.310 nan 0.000 0.449 138 Q N 0.829 120.679 119.800 0.083 0.000 2.084 138 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 138 Q C 1.638 177.732 176.000 0.156 0.000 0.978 138 Q CA 2.161 58.021 55.803 0.093 0.000 0.844 138 Q CB -1.322 27.462 28.738 0.078 0.000 0.898 138 Q HN 0.885 nan 8.270 nan 0.000 0.426 139 H N -0.699 118.422 119.070 0.085 0.000 2.299 139 H HA 0.012 4.568 4.556 -0.001 0.000 0.302 139 H C 2.208 177.530 175.328 -0.010 0.000 1.078 139 H CA 1.034 57.108 56.048 0.043 0.000 1.323 139 H CB 0.134 29.905 29.762 0.016 0.000 1.381 139 H HN 0.446 nan 8.280 nan 0.000 0.498 140 I N 0.556 121.132 120.570 0.009 0.000 2.286 140 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 140 I C 2.730 178.840 176.117 -0.011 0.000 1.115 140 I CA 1.196 62.384 61.300 -0.187 0.000 1.392 140 I CB -0.358 37.201 38.000 -0.735 0.000 1.065 140 I HN 0.313 nan 8.210 nan 0.000 0.418 141 G N -0.309 108.525 108.800 0.056 0.000 2.418 141 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 141 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 141 G C 1.581 176.581 174.900 0.167 0.000 1.158 141 G CA 0.860 46.040 45.100 0.134 0.000 0.771 141 G HN 0.471 nan 8.290 nan 0.000 0.545 142 E N -0.447 119.848 120.200 0.158 0.000 2.047 142 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 142 E C 2.091 178.797 176.600 0.178 0.000 0.987 142 E CA 0.694 57.190 56.400 0.161 0.000 0.799 142 E CB -0.300 29.517 29.700 0.194 0.000 0.752 142 E HN 0.374 nan 8.360 nan 0.000 0.449 143 F N 1.372 121.335 119.950 0.022 0.000 2.091 143 F HA -0.249 4.277 4.527 -0.001 0.000 0.299 143 F C 1.967 177.810 175.800 0.071 0.000 1.103 143 F CA 1.663 59.663 58.000 -0.000 0.000 1.228 143 F CB -0.178 38.769 39.000 -0.090 0.000 0.984 143 F HN 0.016 nan 8.300 nan 0.000 0.477 144 L N -0.168 121.219 121.223 0.274 0.000 2.005 144 L HA -0.119 4.220 4.340 -0.001 0.000 0.207 144 L C 2.901 180.005 176.870 0.390 0.000 1.072 144 L CA 1.412 56.414 54.840 0.270 0.000 0.744 144 L CB -1.643 40.571 42.059 0.257 0.000 0.895 144 L HN 0.319 nan 8.230 nan 0.000 0.433 145 G N 0.033 109.071 108.800 0.398 0.000 2.476 145 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 145 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 145 G C 1.720 176.749 174.900 0.215 0.000 1.164 145 G CA 0.994 46.224 45.100 0.216 0.000 0.768 145 G HN 0.314 nan 8.290 nan 0.000 0.560 146 K N -0.109 120.386 120.400 0.157 0.000 2.067 146 K HA 0.003 4.323 4.320 -0.001 0.000 0.203 146 K C 2.998 179.690 176.600 0.154 0.000 1.048 146 K CA 1.423 57.851 56.287 0.235 0.000 0.954 146 K CB -0.293 32.328 32.500 0.201 0.000 0.737 146 K HN 0.430 nan 8.250 nan 0.000 0.444 147 T N 0.448 114.951 114.554 -0.085 0.000 2.746 147 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 147 T C 1.989 176.660 174.700 -0.049 0.000 1.039 147 T CA 1.012 63.000 62.100 -0.186 0.000 1.142 147 T CB -0.473 68.041 68.868 -0.589 0.000 0.866 147 T HN 0.033 nan 8.240 nan 0.000 0.444 148 L N -0.804 120.466 121.223 0.077 0.000 2.072 148 L HA 0.145 4.485 4.340 -0.001 0.000 0.205 148 L C 2.528 179.557 176.870 0.264 0.000 1.079 148 L CA 1.310 56.268 54.840 0.197 0.000 0.752 148 L CB -0.702 41.575 42.059 0.365 0.000 0.906 148 L HN 0.156 nan 8.230 nan 0.000 0.436 149 F N 0.184 120.203 119.950 0.115 0.000 2.095 149 F HA -0.275 4.252 4.527 -0.001 0.000 0.298 149 F C 2.162 177.785 175.800 -0.294 0.000 1.104 149 F CA 1.620 59.488 58.000 -0.221 0.000 1.232 149 F CB -0.316 38.230 39.000 -0.756 0.000 0.987 149 F HN -0.054 nan 8.300 nan 0.000 0.475 150 Y N -0.793 119.401 120.300 -0.178 0.000 2.529 150 Y HA 0.068 4.618 4.550 -0.001 0.000 0.290 150 Y C 2.089 177.828 175.900 -0.268 0.000 1.177 150 Y CA 0.819 58.713 58.100 -0.343 0.000 1.305 150 Y CB -0.279 37.724 38.460 -0.762 0.000 1.047 150 Y HN -0.028 nan 8.280 nan 0.000 0.522 151 S N -1.202 114.437 115.700 -0.101 0.000 2.578 151 S HA 0.086 4.555 4.470 -0.001 0.000 0.231 151 S C 0.747 175.328 174.600 -0.032 0.000 0.994 151 S CA -0.101 58.079 58.200 -0.033 0.000 0.956 151 S CB -0.049 63.092 63.200 -0.098 0.000 0.870 151 S HN 0.337 nan 8.310 nan 0.000 0.494 152 S N 0.978 116.576 115.700 -0.171 0.000 2.681 152 S HA 0.307 4.777 4.470 -0.001 0.000 0.270 152 S C 0.490 174.931 174.600 -0.264 0.000 1.209 152 S CA -0.587 57.499 58.200 -0.191 0.000 0.988 152 S CB 0.521 63.593 63.200 -0.213 0.000 1.006 152 S HN 0.127 nan 8.310 nan 0.000 0.558 153 D N -0.140 120.057 120.400 -0.338 0.000 2.309 153 D HA -0.069 4.570 4.640 -0.001 0.000 0.212 153 D C 1.232 177.320 176.300 -0.352 0.000 0.968 153 D CA 1.187 55.001 54.000 -0.311 0.000 0.882 153 D CB -0.189 40.438 40.800 -0.289 0.000 0.918 153 D HN 0.642 nan 8.370 nan 0.000 0.503 154 Y N 1.065 121.194 120.300 -0.285 0.000 2.242 154 Y HA -0.040 4.510 4.550 -0.001 0.000 0.291 154 Y C 2.490 178.064 175.900 -0.543 0.000 1.137 154 Y CA 0.740 58.575 58.100 -0.442 0.000 1.181 154 Y CB -0.525 37.611 38.460 -0.540 0.000 0.989 154 Y HN -0.064 nan 8.280 nan 0.000 0.527 155 A N -0.873 121.593 122.820 -0.589 0.000 2.115 155 A HA 0.313 4.633 4.320 -0.001 0.000 0.211 155 A C 0.564 178.059 177.584 -0.149 0.000 1.169 155 A CA 0.144 51.909 52.037 -0.453 0.000 0.787 155 A CB -0.108 18.459 19.000 -0.722 0.000 0.858 155 A HN 0.227 nan 8.150 nan 0.000 0.474 156 L N 0.480 121.617 121.223 -0.143 0.000 2.346 156 L HA 0.351 4.691 4.340 -0.001 0.000 0.274 156 L C -0.497 176.339 176.870 -0.056 0.000 1.007 156 L CA -0.834 53.972 54.840 -0.057 0.000 0.818 156 L CB 1.887 43.926 42.059 -0.032 0.000 1.284 156 L HN 0.207 nan 8.230 nan 0.000 0.424 157 E N 3.502 123.685 120.200 -0.028 0.000 2.452 157 E HA -0.036 4.314 4.350 -0.001 0.000 0.261 157 E C -1.486 175.091 176.600 -0.039 0.000 0.987 157 E CA -1.242 55.141 56.400 -0.029 0.000 0.926 157 E CB 0.676 30.367 29.700 -0.015 0.000 0.934 157 E HN 0.357 nan 8.360 nan 0.000 0.452 158 P HA -0.195 nan 4.420 nan 0.000 0.216 158 P C 0.717 177.986 177.300 -0.051 0.000 1.150 158 P CA 1.421 64.489 63.100 -0.052 0.000 0.837 158 P CB 0.260 31.935 31.700 -0.042 0.000 0.786 159 K N -0.379 119.999 120.400 -0.038 0.000 2.057 159 K HA -0.071 4.248 4.320 -0.001 0.000 0.207 159 K C 2.113 178.691 176.600 -0.038 0.000 1.049 159 K CA 1.159 57.425 56.287 -0.035 0.000 0.931 159 K CB -0.681 31.804 32.500 -0.024 0.000 0.714 159 K HN -0.027 nan 8.250 nan 0.000 0.440 160 V N 1.785 121.682 119.914 -0.028 0.000 2.307 160 V HA -0.238 3.882 4.120 -0.001 0.000 0.245 160 V C 2.361 178.436 176.094 -0.033 0.000 1.045 160 V CA 1.518 63.808 62.300 -0.017 0.000 1.024 160 V CB -0.416 31.409 31.823 0.004 0.000 0.651 160 V HN 0.307 nan 8.190 nan 0.000 0.449 161 K N 0.770 121.138 120.400 -0.053 0.000 2.063 161 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 161 K C 2.178 178.643 176.600 -0.225 0.000 1.048 161 K CA 1.812 58.035 56.287 -0.107 0.000 0.928 161 K CB -0.236 32.210 32.500 -0.091 0.000 0.713 161 K HN 0.425 nan 8.250 nan 0.000 0.442 162 K N 0.153 120.457 120.400 -0.160 0.000 2.152 162 K HA -0.199 4.121 4.320 -0.001 0.000 0.206 162 K C 2.577 179.093 176.600 -0.141 0.000 1.048 162 K CA 1.910 58.101 56.287 -0.161 0.000 0.933 162 K CB -0.183 32.258 32.500 -0.099 0.000 0.721 162 K HN 0.348 nan 8.250 nan 0.000 0.447 163 Q N 1.218 120.961 119.800 -0.095 0.000 2.119 163 Q HA -0.047 4.293 4.340 -0.001 0.000 0.201 163 Q C 2.041 178.008 176.000 -0.055 0.000 0.972 163 Q CA 1.265 57.031 55.803 -0.063 0.000 0.847 163 Q CB -0.827 27.891 28.738 -0.033 0.000 0.903 163 Q HN 0.330 nan 8.270 nan 0.000 0.433 164 L N 0.161 121.353 121.223 -0.052 0.000 2.093 164 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 164 L C 2.596 179.457 176.870 -0.015 0.000 1.085 164 L CA 0.957 55.842 54.840 0.075 0.000 0.755 164 L CB -0.470 41.698 42.059 0.181 0.000 0.904 164 L HN 0.327 nan 8.230 nan 0.000 0.435 165 V N 0.194 119.845 119.914 -0.440 0.000 2.282 165 V HA -0.334 3.786 4.120 -0.001 0.000 0.249 165 V C 2.530 178.598 176.094 -0.044 0.000 1.057 165 V CA 1.873 63.936 62.300 -0.395 0.000 1.032 165 V CB -0.589 30.980 31.823 -0.423 0.000 0.645 165 V HN 0.459 nan 8.190 nan 0.000 0.447 166 K N -0.196 120.168 120.400 -0.060 0.000 2.002 166 K HA -0.274 4.046 4.320 -0.001 0.000 0.209 166 K C 2.283 178.868 176.600 -0.026 0.000 1.048 166 K CA 1.921 58.190 56.287 -0.031 0.000 0.930 166 K CB -0.315 32.157 32.500 -0.048 0.000 0.714 166 K HN 0.536 nan 8.250 nan 0.000 0.438 167 Q N 0.142 119.907 119.800 -0.058 0.000 2.181 167 Q HA -0.147 4.193 4.340 -0.001 0.000 0.205 167 Q C 1.022 176.836 176.000 -0.310 0.000 0.980 167 Q CA 1.531 57.212 55.803 -0.203 0.000 0.862 167 Q CB 0.071 28.649 28.738 -0.267 0.000 0.905 167 Q HN 0.251 nan 8.270 nan 0.000 0.429 168 F N 0.186 120.195 119.950 0.099 0.000 2.664 168 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 168 F C 0.277 176.181 175.800 0.174 0.000 1.092 168 F CA -0.199 57.896 58.000 0.158 0.000 1.305 168 F CB 0.565 39.716 39.000 0.251 0.000 1.054 168 F HN -0.221 nan 8.300 nan 0.000 0.565 169 T N 1.591 116.278 114.554 0.221 0.000 2.866 169 T HA -0.096 4.254 4.350 -0.001 0.000 0.293 169 T C 0.447 175.205 174.700 0.098 0.000 1.005 169 T CA 0.562 62.754 62.100 0.153 0.000 1.162 169 T CB -0.036 68.871 68.868 0.065 0.000 0.968 169 T HN 0.080 nan 8.240 nan 0.000 0.530 170 N N 4.050 122.784 118.700 0.058 0.000 2.733 170 N HA 0.297 5.036 4.740 -0.001 0.000 0.271 170 N C -2.257 173.193 175.510 -0.100 0.000 1.720 170 N CA -1.987 51.059 53.050 -0.007 0.000 0.803 170 N CB 1.195 39.712 38.487 0.051 0.000 1.208 170 N HN 0.197 nan 8.380 nan 0.000 0.498 171 P HA -0.039 nan 4.420 nan 0.000 0.217 171 P C 0.770 178.024 177.300 -0.078 0.000 1.150 171 P CA 1.193 64.242 63.100 -0.086 0.000 0.832 171 P CB 0.629 32.296 31.700 -0.055 0.000 0.787 172 E N -0.918 119.237 120.200 -0.075 0.000 2.076 172 E HA -0.052 4.298 4.350 -0.001 0.000 0.190 172 E C 1.892 178.451 176.600 -0.069 0.000 0.979 172 E CA 0.670 57.031 56.400 -0.065 0.000 0.807 172 E CB -0.410 29.246 29.700 -0.073 0.000 0.761 172 E HN 0.123 nan 8.360 nan 0.000 0.454 173 L N 0.577 121.722 121.223 -0.129 0.000 2.072 173 L HA -0.131 4.209 4.340 -0.001 0.000 0.205 173 L C 2.484 179.400 176.870 0.076 0.000 1.079 173 L CA 1.048 55.778 54.840 -0.185 0.000 0.752 173 L CB -1.078 40.693 42.059 -0.480 0.000 0.906 173 L HN 0.334 nan 8.230 nan 0.000 0.436 174 C N 0.107 119.380 119.300 -0.045 0.000 2.413 174 C HA -0.199 4.261 4.460 -0.001 0.000 0.277 174 C C 2.566 177.614 174.990 0.097 0.000 1.265 174 C CA 1.020 59.991 59.018 -0.078 0.000 1.752 174 C CB -0.733 26.730 27.740 -0.462 0.000 1.998 174 C HN 0.562 nan 8.230 nan 0.000 0.489 175 D N 0.570 121.001 120.400 0.051 0.000 2.144 175 D HA -0.110 4.529 4.640 -0.001 0.000 0.199 175 D C 1.833 178.215 176.300 0.136 0.000 0.984 175 D CA 1.211 55.258 54.000 0.078 0.000 0.834 175 D CB -0.215 40.605 40.800 0.034 0.000 0.955 175 D HN 0.486 nan 8.370 nan 0.000 0.465 176 I N -0.084 120.590 120.570 0.173 0.000 2.179 176 I HA -0.241 3.929 4.170 -0.001 0.000 0.242 176 I C 2.263 178.519 176.117 0.231 0.000 1.088 176 I CA 1.322 62.753 61.300 0.218 0.000 1.357 176 I CB -0.431 37.760 38.000 0.318 0.000 1.051 176 I HN 0.060 nan 8.210 nan 0.000 0.409 177 T N -0.036 114.689 114.554 0.284 0.000 2.777 177 T HA -0.163 4.187 4.350 -0.001 0.000 0.266 177 T C 1.719 176.543 174.700 0.208 0.000 1.040 177 T CA 1.301 63.509 62.100 0.181 0.000 1.141 177 T CB -0.279 68.687 68.868 0.164 0.000 0.868 177 T HN 0.390 nan 8.240 nan 0.000 0.444 178 E N 0.822 121.195 120.200 0.288 0.000 2.110 178 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 178 E C 2.568 179.350 176.600 0.304 0.000 0.988 178 E CA 0.895 57.493 56.400 0.330 0.000 0.804 178 E CB -0.049 29.795 29.700 0.240 0.000 0.745 178 E HN 0.405 nan 8.360 nan 0.000 0.458 179 R N 0.175 120.809 120.500 0.223 0.000 2.055 179 R HA 0.009 4.349 4.340 -0.001 0.000 0.226 179 R C 2.457 178.885 176.300 0.214 0.000 1.135 179 R CA 0.919 57.141 56.100 0.203 0.000 0.959 179 R CB -0.202 30.185 30.300 0.144 0.000 0.854 179 R HN 0.158 nan 8.270 nan 0.000 0.431 180 L N 0.127 121.448 121.223 0.164 0.000 2.095 180 L HA -0.049 4.290 4.340 -0.001 0.000 0.204 180 L C 2.335 179.245 176.870 0.067 0.000 1.080 180 L CA 0.711 55.622 54.840 0.118 0.000 0.759 180 L CB -0.256 41.855 42.059 0.087 0.000 0.914 180 L HN 0.026 nan 8.230 nan 0.000 0.439 181 V N -1.039 118.868 119.914 -0.010 0.000 2.488 181 V HA -0.157 3.963 4.120 -0.001 0.000 0.246 181 V C 1.750 177.737 176.094 -0.178 0.000 1.046 181 V CA 1.645 63.807 62.300 -0.229 0.000 1.053 181 V CB -0.292 31.201 31.823 -0.549 0.000 0.679 181 V HN 0.250 nan 8.190 nan 0.000 0.458 182 F N -0.971 119.117 119.950 0.231 0.000 2.724 182 F HA 0.180 4.707 4.527 -0.001 0.000 0.306 182 F C 1.863 177.877 175.800 0.357 0.000 1.100 182 F CA 0.636 58.803 58.000 0.279 0.000 1.255 182 F CB 0.294 39.378 39.000 0.140 0.000 1.072 182 F HN 0.053 nan 8.300 nan 0.000 0.589 183 T N -2.082 112.805 114.554 0.554 0.000 3.321 183 T HA 0.018 4.368 4.350 -0.001 0.000 0.251 183 T C 1.126 176.180 174.700 0.591 0.000 0.999 183 T CA 0.263 62.691 62.100 0.547 0.000 1.186 183 T CB -0.139 68.948 68.868 0.364 0.000 1.163 183 T HN -0.191 nan 8.240 nan 0.000 0.399 184 D N 2.114 122.770 120.400 0.428 0.000 2.117 184 D HA -0.028 4.612 4.640 -0.001 0.000 0.197 184 D C -0.997 175.440 176.300 0.228 0.000 0.987 184 D CA 1.161 55.382 54.000 0.367 0.000 0.829 184 D CB -1.389 39.601 40.800 0.318 0.000 0.961 184 D HN 0.328 nan 8.370 nan 0.000 0.460 185 P HA -0.070 nan 4.420 nan 0.000 0.222 185 P C 0.861 178.119 177.300 -0.071 0.000 1.147 185 P CA 0.772 63.854 63.100 -0.029 0.000 0.790 185 P CB -0.168 31.324 31.700 -0.347 0.000 0.780 186 F N -2.674 117.351 119.950 0.125 0.000 2.797 186 F HA 0.222 4.749 4.527 -0.001 0.000 0.302 186 F C 0.795 176.195 175.800 -0.665 0.000 1.130 186 F CA 0.245 58.194 58.000 -0.085 0.000 1.387 186 F CB -0.273 38.633 39.000 -0.157 0.000 1.107 186 F HN -0.205 nan 8.300 nan 0.000 0.577 187 F N -1.362 118.294 119.950 -0.491 0.000 2.650 187 F HA 0.264 4.790 4.527 -0.001 0.000 0.320 187 F C 0.034 174.898 175.800 -1.560 0.000 1.091 187 F CA -1.660 55.693 58.000 -1.079 0.000 0.962 187 F CB 0.557 38.896 39.000 -1.102 0.000 1.363 187 F HN -0.482 nan 8.300 nan 0.000 0.482 188 D N 0.876 120.476 120.400 -1.333 0.000 2.608 188 D HA 0.097 4.737 4.640 -0.001 0.000 0.224 188 D C -0.547 175.662 176.300 -0.152 0.000 1.123 188 D CA 0.409 53.815 54.000 -0.990 0.000 1.030 188 D CB -0.667 39.703 40.800 -0.718 0.000 1.093 188 D HN 0.459 nan 8.370 nan 0.000 0.497 189 H N -0.206 118.800 119.070 -0.107 0.000 2.533 189 H HA 0.304 4.859 4.556 -0.001 0.000 0.343 189 H C 1.241 176.592 175.328 0.040 0.000 1.160 189 H CA -0.259 55.781 56.048 -0.012 0.000 1.218 189 H CB 1.650 31.427 29.762 0.025 0.000 1.566 189 H HN 0.326 nan 8.280 nan 0.000 0.522 190 D N 0.205 120.680 120.400 0.125 0.000 2.218 190 D HA -0.169 4.471 4.640 -0.001 0.000 0.204 190 D C 1.908 178.255 176.300 0.079 0.000 0.976 190 D CA 1.600 55.641 54.000 0.069 0.000 0.853 190 D CB -0.669 40.141 40.800 0.016 0.000 0.939 190 D HN 0.672 nan 8.370 nan 0.000 0.481 191 T N -2.795 111.825 114.554 0.110 0.000 3.085 191 T HA 0.018 4.367 4.350 -0.001 0.000 0.263 191 T C 0.864 175.640 174.700 0.127 0.000 1.127 191 T CA 0.012 62.172 62.100 0.099 0.000 1.103 191 T CB -0.249 68.683 68.868 0.106 0.000 0.921 191 T HN 0.211 nan 8.240 nan 0.000 0.510 192 N N 2.844 121.657 118.700 0.189 0.000 2.453 192 N HA 0.356 5.096 4.740 -0.001 0.000 0.253 192 N C -0.882 174.733 175.510 0.174 0.000 1.252 192 N CA 0.143 53.359 53.050 0.276 0.000 0.917 192 N CB 0.777 39.557 38.487 0.488 0.000 1.117 192 N HN 0.403 nan 8.380 nan 0.000 0.442 193 D N 0.731 121.285 120.400 0.256 0.000 2.365 193 D HA 0.305 4.944 4.640 -0.001 0.000 0.235 193 D C -1.637 174.859 176.300 0.326 0.000 1.368 193 D CA -0.450 53.610 54.000 0.100 0.000 1.001 193 D CB -0.150 40.634 40.800 -0.027 0.000 1.364 193 D HN 0.354 nan 8.370 nan 0.000 0.577 194 F N -0.013 120.041 119.950 0.173 0.000 2.626 194 F HA 0.730 5.257 4.527 -0.001 0.000 0.311 194 F C -0.245 175.622 175.800 0.113 0.000 1.088 194 F CA -1.259 56.826 58.000 0.141 0.000 0.949 194 F CB 0.800 39.838 39.000 0.063 0.000 1.322 194 F HN -0.151 nan 8.300 nan 0.000 0.461 195 E N 0.884 121.278 120.200 0.324 0.000 2.392 195 E HA 0.117 4.467 4.350 -0.001 0.000 0.264 195 E C 0.598 177.384 176.600 0.310 0.000 1.024 195 E CA -0.068 56.492 56.400 0.266 0.000 0.903 195 E CB 0.855 30.726 29.700 0.286 0.000 0.963 195 E HN 0.692 nan 8.360 nan 0.000 0.432 196 E N 2.022 122.348 120.200 0.210 0.000 2.118 196 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 196 E C 0.920 177.620 176.600 0.167 0.000 0.992 196 E CA 1.332 57.839 56.400 0.179 0.000 0.804 196 E CB 0.057 29.819 29.700 0.103 0.000 0.741 196 E HN 0.499 nan 8.360 nan 0.000 0.458 197 E N -0.638 119.678 120.200 0.194 0.000 2.265 197 E HA -0.133 4.216 4.350 -0.001 0.000 0.196 197 E C 1.497 178.178 176.600 0.135 0.000 0.996 197 E CA 0.434 56.929 56.400 0.159 0.000 0.832 197 E CB -0.120 29.716 29.700 0.226 0.000 0.756 197 E HN 0.167 nan 8.360 nan 0.000 0.491 198 L N 0.050 121.366 121.223 0.156 0.000 2.375 198 L HA 0.097 4.437 4.340 -0.001 0.000 0.215 198 L C 2.069 178.907 176.870 -0.052 0.000 1.108 198 L CA 0.939 55.866 54.840 0.145 0.000 0.830 198 L CB -0.240 41.868 42.059 0.082 0.000 0.959 198 L HN -0.034 nan 8.230 nan 0.000 0.457 199 R N 0.320 120.799 120.500 -0.035 0.000 2.134 199 R HA -0.214 4.125 4.340 -0.001 0.000 0.248 199 R C -0.626 175.438 176.300 -0.394 0.000 1.143 199 R CA 2.336 58.337 56.100 -0.166 0.000 0.957 199 R CB -1.333 28.989 30.300 0.037 0.000 0.867 199 R HN 0.255 nan 8.270 nan 0.000 0.441 200 P HA -0.146 nan 4.420 nan 0.000 0.216 200 P C 0.615 177.499 177.300 -0.693 0.000 1.150 200 P CA 1.565 64.274 63.100 -0.650 0.000 0.837 200 P CB -0.111 31.052 31.700 -0.896 0.000 0.786 201 F N -1.875 117.908 119.950 -0.280 0.000 2.416 201 F HA -0.047 4.480 4.527 -0.001 0.000 0.296 201 F C 2.249 177.776 175.800 -0.456 0.000 1.099 201 F CA 0.349 58.162 58.000 -0.311 0.000 1.427 201 F CB -1.390 37.449 39.000 -0.269 0.000 1.079 201 F HN -0.287 nan 8.300 nan 0.000 0.536 202 V N 0.476 120.074 119.914 -0.527 0.000 2.307 202 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 202 V C 2.157 177.548 176.094 -1.173 0.000 1.045 202 V CA 1.954 63.666 62.300 -0.981 0.000 1.024 202 V CB -0.553 30.385 31.823 -1.475 0.000 0.651 202 V HN 0.309 nan 8.190 nan 0.000 0.449 203 E N -0.117 119.535 120.200 -0.913 0.000 2.204 203 E HA -0.277 4.073 4.350 -0.001 0.000 0.195 203 E C 2.222 178.653 176.600 -0.282 0.000 0.990 203 E CA 1.198 57.264 56.400 -0.558 0.000 0.821 203 E CB -0.134 29.390 29.700 -0.293 0.000 0.750 203 E HN 0.531 nan 8.360 nan 0.000 0.477 204 K N 0.906 121.140 120.400 -0.276 0.000 2.097 204 K HA -0.166 4.153 4.320 -0.001 0.000 0.205 204 K C 2.184 178.714 176.600 -0.116 0.000 1.050 204 K CA 0.686 56.885 56.287 -0.148 0.000 0.938 204 K CB 0.004 32.441 32.500 -0.106 0.000 0.718 204 K HN 0.044 nan 8.250 nan 0.000 0.442 205 L N 0.271 121.378 121.223 -0.194 0.000 2.044 205 L HA -0.094 4.246 4.340 -0.001 0.000 0.205 205 L C 1.763 178.664 176.870 0.051 0.000 1.075 205 L CA 1.493 56.276 54.840 -0.095 0.000 0.747 205 L CB -0.598 41.359 42.059 -0.171 0.000 0.903 205 L HN 0.273 nan 8.230 nan 0.000 0.435 206 W N 0.268 121.487 121.300 -0.134 0.000 2.350 206 W HA -0.143 4.517 4.660 -0.001 0.000 0.289 206 W C 2.057 178.495 176.519 -0.134 0.000 1.215 206 W CA 0.815 58.060 57.345 -0.165 0.000 1.236 206 W CB -1.362 28.018 29.460 -0.134 0.000 1.130 206 W HN 0.340 nan 8.180 nan 0.000 0.541 207 N N -0.020 118.752 118.700 0.121 0.000 2.336 207 N HA -0.077 4.663 4.740 -0.001 0.000 0.189 207 N C 0.227 175.753 175.510 0.026 0.000 1.113 207 N CA 0.359 53.446 53.050 0.061 0.000 0.858 207 N CB -0.396 38.115 38.487 0.040 0.000 0.970 207 N HN -0.018 nan 8.380 nan 0.000 0.471 208 N N 1.852 120.565 118.700 0.022 0.000 2.663 208 N HA 0.023 4.763 4.740 -0.001 0.000 0.250 208 N C 0.083 175.596 175.510 0.004 0.000 1.129 208 N CA -0.061 52.995 53.050 0.011 0.000 0.995 208 N CB 0.494 38.989 38.487 0.014 0.000 1.324 208 N HN -0.065 nan 8.380 nan 0.000 0.512 209 D N 0.525 120.926 120.400 0.002 0.000 2.116 209 D HA -0.204 4.435 4.640 -0.001 0.000 0.193 209 D C 1.805 178.101 176.300 -0.007 0.000 0.998 209 D CA 1.640 55.639 54.000 -0.001 0.000 0.836 209 D CB -0.039 40.766 40.800 0.007 0.000 0.951 209 D HN 0.643 nan 8.370 nan 0.000 0.449 210 S N -0.295 115.402 115.700 -0.005 0.000 2.402 210 S HA -0.091 4.379 4.470 -0.001 0.000 0.229 210 S C 2.158 176.750 174.600 -0.013 0.000 1.021 210 S CA 0.849 59.044 58.200 -0.009 0.000 0.974 210 S CB -0.474 62.721 63.200 -0.009 0.000 0.800 210 S HN 0.102 nan 8.310 nan 0.000 0.484 211 V N 2.003 121.914 119.914 -0.006 0.000 2.453 211 V HA -0.071 4.049 4.120 -0.001 0.000 0.247 211 V C 2.645 178.705 176.094 -0.056 0.000 1.048 211 V CA 1.909 64.209 62.300 -0.000 0.000 1.049 211 V CB -0.632 31.220 31.823 0.049 0.000 0.672 211 V HN 0.488 nan 8.190 nan 0.000 0.457 212 K N -0.160 120.200 120.400 -0.067 0.000 2.097 212 K HA -0.028 4.291 4.320 -0.001 0.000 0.205 212 K C 2.036 178.564 176.600 -0.120 0.000 1.050 212 K CA 1.294 57.485 56.287 -0.161 0.000 0.938 212 K CB -0.243 32.173 32.500 -0.140 0.000 0.718 212 K HN 0.371 nan 8.250 nan 0.000 0.442 213 I N 1.393 121.932 120.570 -0.052 0.000 2.264 213 I HA -0.272 3.898 4.170 -0.001 0.000 0.248 213 I C 2.112 178.209 176.117 -0.033 0.000 1.111 213 I CA 1.162 62.448 61.300 -0.024 0.000 1.382 213 I CB -0.109 37.887 38.000 -0.007 0.000 1.060 213 I HN 0.166 nan 8.210 nan 0.000 0.418 214 E N 0.765 120.936 120.200 -0.048 0.000 2.107 214 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 214 E C 2.334 178.901 176.600 -0.055 0.000 0.982 214 E CA 1.278 57.655 56.400 -0.040 0.000 0.809 214 E CB -0.347 29.335 29.700 -0.030 0.000 0.756 214 E HN 0.472 nan 8.360 nan 0.000 0.459 215 A N 1.704 124.433 122.820 -0.152 0.000 1.902 215 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 215 A C 2.441 179.988 177.584 -0.062 0.000 1.181 215 A CA 2.082 53.984 52.037 -0.224 0.000 0.623 215 A CB -0.642 17.806 19.000 -0.921 0.000 0.818 215 A HN 0.259 nan 8.150 nan 0.000 0.443 216 A N 0.029 122.809 122.820 -0.066 0.000 1.892 216 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 216 A C 2.115 179.716 177.584 0.027 0.000 1.188 216 A CA 2.066 54.110 52.037 0.011 0.000 0.631 216 A CB -0.524 18.490 19.000 0.024 0.000 0.822 216 A HN 0.567 nan 8.150 nan 0.000 0.447 217 K N -0.555 119.858 120.400 0.022 0.000 2.057 217 K HA -0.050 4.270 4.320 -0.001 0.000 0.207 217 K C 1.864 178.500 176.600 0.059 0.000 1.049 217 K CA 1.459 57.768 56.287 0.036 0.000 0.931 217 K CB -0.384 32.131 32.500 0.025 0.000 0.714 217 K HN 0.479 nan 8.250 nan 0.000 0.440 218 L N 1.092 122.362 121.223 0.078 0.000 2.093 218 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 218 L C 2.595 179.548 176.870 0.140 0.000 1.085 218 L CA 1.157 56.105 54.840 0.181 0.000 0.755 218 L CB -0.343 41.871 42.059 0.258 0.000 0.904 218 L HN 0.151 nan 8.230 nan 0.000 0.435 219 K N 0.590 120.947 120.400 -0.072 0.000 2.026 219 K HA -0.242 4.078 4.320 -0.001 0.000 0.208 219 K C 2.342 178.846 176.600 -0.160 0.000 1.048 219 K CA 1.345 57.358 56.287 -0.457 0.000 0.929 219 K CB -0.042 32.380 32.500 -0.131 0.000 0.713 219 K HN 0.034 nan 8.250 nan 0.000 0.439 220 K N 0.701 121.090 120.400 -0.018 0.000 2.103 220 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 220 K C 2.108 178.749 176.600 0.069 0.000 1.048 220 K CA 1.702 58.006 56.287 0.029 0.000 0.930 220 K CB -0.295 32.229 32.500 0.040 0.000 0.716 220 K HN 0.120 nan 8.250 nan 0.000 0.444 221 S N 0.026 115.801 115.700 0.125 0.000 2.355 221 S HA -0.133 4.337 4.470 -0.001 0.000 0.222 221 S C 1.824 176.555 174.600 0.219 0.000 1.031 221 S CA 0.924 59.250 58.200 0.210 0.000 0.993 221 S CB -0.466 62.920 63.200 0.310 0.000 0.859 221 S HN 0.415 nan 8.310 nan 0.000 0.453 222 F N 2.114 122.063 119.950 -0.003 0.000 2.091 222 F HA -0.063 4.463 4.527 -0.001 0.000 0.299 222 F C 1.834 177.623 175.800 -0.018 0.000 1.103 222 F CA 1.550 59.466 58.000 -0.140 0.000 1.228 222 F CB -0.413 38.228 39.000 -0.599 0.000 0.984 222 F HN 0.199 nan 8.300 nan 0.000 0.477 223 L N -0.710 120.525 121.223 0.021 0.000 2.201 223 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 223 L C 2.110 178.982 176.870 0.004 0.000 1.105 223 L CA 1.808 56.641 54.840 -0.012 0.000 0.775 223 L CB -0.732 41.336 42.059 0.016 0.000 0.913 223 L HN 0.392 nan 8.230 nan 0.000 0.440 224 T N -7.661 106.913 114.554 0.033 0.000 2.980 224 T HA 0.122 4.472 4.350 -0.001 0.000 0.252 224 T C 0.861 175.596 174.700 0.059 0.000 0.962 224 T CA -0.192 61.936 62.100 0.046 0.000 0.932 224 T CB 0.177 69.074 68.868 0.049 0.000 1.188 224 T HN -0.022 nan 8.240 nan 0.000 0.500 225 S N 2.472 118.217 115.700 0.075 0.000 2.681 225 S HA 0.651 5.121 4.470 -0.001 0.000 0.313 225 S C 0.393 175.029 174.600 0.059 0.000 1.137 225 S CA -0.518 57.738 58.200 0.095 0.000 1.045 225 S CB 0.317 63.615 63.200 0.163 0.000 1.208 225 S HN 0.683 nan 8.310 nan 0.000 0.523 226 A N 3.246 126.105 122.820 0.065 0.000 3.126 226 A HA 0.283 4.603 4.320 -0.001 0.000 0.268 226 A C 1.045 178.714 177.584 0.141 0.000 1.605 226 A CA -0.522 51.573 52.037 0.096 0.000 1.305 226 A CB -0.231 18.828 19.000 0.098 0.000 1.160 226 A HN 0.776 nan 8.150 nan 0.000 0.609 227 E N 0.312 120.563 120.200 0.085 0.000 2.086 227 E HA 0.029 4.379 4.350 -0.001 0.000 0.190 227 E C 0.152 176.781 176.600 0.048 0.000 0.975 227 E CA 1.279 57.722 56.400 0.072 0.000 0.813 227 E CB 0.215 29.982 29.700 0.111 0.000 0.768 227 E HN 0.645 nan 8.360 nan 0.000 0.457 228 T N -0.224 114.262 114.554 -0.113 0.000 2.739 228 T HA 0.301 4.650 4.350 -0.001 0.000 0.303 228 T C -1.303 172.741 174.700 -1.094 0.000 1.389 228 T CA -0.897 60.960 62.100 -0.406 0.000 1.001 228 T CB 1.415 70.159 68.868 -0.206 0.000 1.436 228 T HN -0.072 nan 8.240 nan 0.000 0.500 229 L N 2.860 123.310 121.223 -1.289 0.000 2.385 229 L HA 0.569 4.909 4.340 -0.001 0.000 0.281 229 L C -0.229 176.317 176.870 -0.539 0.000 1.106 229 L CA -0.369 53.810 54.840 -1.101 0.000 0.856 229 L CB -0.783 40.727 42.059 -0.914 0.000 1.186 229 L HN 0.643 nan 8.230 nan 0.000 0.453 230 I N 1.073 121.375 120.570 -0.448 0.000 2.924 230 I HA 0.352 4.522 4.170 -0.001 0.000 0.316 230 I C 0.956 177.092 176.117 0.032 0.000 1.014 230 I CA -0.617 60.593 61.300 -0.150 0.000 1.106 230 I CB 1.160 39.087 38.000 -0.121 0.000 1.311 230 I HN 0.647 nan 8.210 nan 0.000 0.502 231 H N 2.852 121.999 119.070 0.129 0.000 2.372 231 H HA 0.066 4.622 4.556 -0.001 0.000 0.301 231 H C 1.499 177.017 175.328 0.316 0.000 1.065 231 H CA 1.920 58.103 56.048 0.226 0.000 1.364 231 H CB 0.371 30.304 29.762 0.285 0.000 1.406 231 H HN 1.032 nan 8.280 nan 0.000 0.521 232 G N 0.609 109.765 108.800 0.593 0.000 2.199 232 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.254 232 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.254 232 G C 0.174 175.422 174.900 0.580 0.000 0.982 232 G CA 0.681 46.183 45.100 0.669 0.000 0.632 232 G HN 0.581 nan 8.290 nan 0.000 0.529 233 D N -0.817 119.939 120.400 0.593 0.000 3.404 233 D HA 0.250 4.889 4.640 -0.001 0.000 0.329 233 D C 0.041 176.520 176.300 0.299 0.000 1.421 233 D CA -0.541 53.643 54.000 0.307 0.000 0.742 233 D CB -0.219 40.595 40.800 0.023 0.000 1.290 233 D HN 0.183 nan 8.370 nan 0.000 0.600 234 L N 3.114 124.397 121.223 0.099 0.000 2.423 234 L HA 0.307 4.647 4.340 -0.001 0.000 0.249 234 L C -0.187 176.662 176.870 -0.036 0.000 1.276 234 L CA -0.051 54.636 54.840 -0.257 0.000 1.199 234 L CB -1.298 40.558 42.059 -0.338 0.000 1.407 234 L HN 0.281 nan 8.230 nan 0.000 0.410 235 H N -1.813 117.226 119.070 -0.052 0.000 2.530 235 H HA 0.513 5.069 4.556 -0.001 0.000 0.342 235 H C 1.198 176.521 175.328 -0.008 0.000 1.312 235 H CA -0.221 55.811 56.048 -0.026 0.000 1.376 235 H CB 0.182 29.908 29.762 -0.060 0.000 1.692 235 H HN 0.247 nan 8.280 nan 0.000 0.622 236 T N -3.256 111.318 114.554 0.034 0.000 3.007 236 T HA -0.009 4.340 4.350 -0.001 0.000 0.270 236 T C 1.890 176.528 174.700 -0.104 0.000 1.107 236 T CA 0.519 62.603 62.100 -0.027 0.000 1.118 236 T CB -0.666 68.186 68.868 -0.028 0.000 0.889 236 T HN 0.786 nan 8.240 nan 0.000 0.506 237 G N 0.195 108.967 108.800 -0.047 0.000 3.026 237 G HA2 0.149 4.109 3.960 -0.001 0.000 0.208 237 G HA3 0.149 4.109 3.960 -0.001 0.000 0.208 237 G C 1.085 175.763 174.900 -0.370 0.000 1.169 237 G CA 0.111 45.154 45.100 -0.094 0.000 0.788 237 G HN 0.514 nan 8.290 nan 0.000 0.533 238 S N -0.169 115.176 115.700 -0.592 0.000 2.664 238 S HA 0.479 4.948 4.470 -0.001 0.000 0.245 238 S C 0.026 174.394 174.600 -0.387 0.000 1.019 238 S CA -0.460 57.444 58.200 -0.492 0.000 0.996 238 S CB -0.074 62.767 63.200 -0.598 0.000 0.878 238 S HN 0.181 nan 8.310 nan 0.000 0.493 239 I N 1.437 121.771 120.570 -0.393 0.000 2.569 239 I HA 0.426 4.595 4.170 -0.001 0.000 0.290 239 I C -1.323 174.584 176.117 -0.350 0.000 1.088 239 I CA -0.736 60.366 61.300 -0.330 0.000 1.047 239 I CB 1.905 39.739 38.000 -0.277 0.000 1.237 239 I HN 0.016 nan 8.210 nan 0.000 0.421 240 F N 4.296 124.134 119.950 -0.187 0.000 2.394 240 F HA 0.735 5.262 4.527 -0.001 0.000 0.340 240 F C 0.535 176.189 175.800 -0.243 0.000 1.105 240 F CA -0.264 57.625 58.000 -0.185 0.000 1.124 240 F CB 1.711 40.618 39.000 -0.155 0.000 1.145 240 F HN 0.436 nan 8.300 nan 0.000 0.505 241 A N 2.036 124.807 122.820 -0.082 0.000 2.515 241 A HA 0.802 5.122 4.320 -0.001 0.000 0.298 241 A C -0.856 176.618 177.584 -0.184 0.000 1.059 241 A CA -0.344 51.488 52.037 -0.342 0.000 0.698 241 A CB 1.557 19.934 19.000 -1.038 0.000 1.289 241 A HN 0.779 nan 8.150 nan 0.000 0.404 242 S N 0.006 115.689 115.700 -0.027 0.000 2.806 242 S HA 0.516 4.985 4.470 -0.001 0.000 0.306 242 S C 0.743 175.513 174.600 0.282 0.000 1.167 242 S CA 0.111 58.436 58.200 0.207 0.000 0.847 242 S CB 1.021 64.342 63.200 0.200 0.000 1.216 242 S HN 0.768 nan 8.310 nan 0.000 0.532 243 E N -0.007 120.335 120.200 0.237 0.000 2.147 243 E HA -0.253 4.096 4.350 -0.001 0.000 0.199 243 E C 0.947 177.525 176.600 -0.037 0.000 1.005 243 E CA 1.829 58.237 56.400 0.013 0.000 0.810 243 E CB -0.186 29.365 29.700 -0.248 0.000 0.736 243 E HN 0.689 nan 8.360 nan 0.000 0.460 244 H N -1.523 117.729 119.070 0.302 0.000 2.874 244 H HA 0.325 4.881 4.556 -0.001 0.000 0.264 244 H C 0.057 175.576 175.328 0.319 0.000 1.007 244 H CA 0.115 56.350 56.048 0.310 0.000 1.207 244 H CB 0.892 30.772 29.762 0.198 0.000 1.487 244 H HN 0.092 nan 8.280 nan 0.000 0.505 245 E N 1.036 121.451 120.200 0.357 0.000 2.288 245 E HA 0.440 4.789 4.350 -0.001 0.000 0.268 245 E C -0.812 175.895 176.600 0.177 0.000 0.885 245 E CA -0.551 55.989 56.400 0.234 0.000 0.767 245 E CB 2.750 32.554 29.700 0.175 0.000 1.220 245 E HN -0.081 nan 8.360 nan 0.000 0.427 246 T N 2.370 116.969 114.554 0.076 0.000 2.916 246 T HA 0.414 4.763 4.350 -0.001 0.000 0.298 246 T C -1.053 173.599 174.700 -0.081 0.000 1.031 246 T CA -1.007 61.104 62.100 0.019 0.000 0.993 246 T CB 1.192 70.142 68.868 0.137 0.000 1.045 246 T HN 0.140 nan 8.240 nan 0.000 0.454 247 K N 2.302 122.663 120.400 -0.066 0.000 2.507 247 K HA 0.531 4.850 4.320 -0.001 0.000 0.251 247 K C -0.990 175.533 176.600 -0.128 0.000 0.943 247 K CA -0.694 55.554 56.287 -0.066 0.000 0.794 247 K CB 2.616 35.140 32.500 0.040 0.000 1.188 247 K HN 0.374 nan 8.250 nan 0.000 0.428 248 V N 4.710 124.461 119.914 -0.273 0.000 2.498 248 V HA 0.418 4.537 4.120 -0.001 0.000 0.279 248 V C 0.636 176.670 176.094 -0.100 0.000 1.048 248 V CA -0.629 61.442 62.300 -0.382 0.000 0.967 248 V CB 0.621 31.842 31.823 -1.003 0.000 0.988 248 V HN 0.722 nan 8.190 nan 0.000 0.473 249 I N 0.320 120.874 120.570 -0.027 0.000 3.170 249 I HA 0.757 4.927 4.170 -0.001 0.000 0.312 249 I C 0.071 176.296 176.117 0.179 0.000 1.085 249 I CA -0.928 60.425 61.300 0.089 0.000 0.999 249 I CB 1.748 39.798 38.000 0.084 0.000 1.233 249 I HN 0.535 nan 8.210 nan 0.000 0.467 250 D N 2.025 122.503 120.400 0.130 0.000 2.746 250 D HA -0.091 4.549 4.640 -0.001 0.000 0.241 250 D C -2.000 174.304 176.300 0.006 0.000 1.140 250 D CA 0.371 54.438 54.000 0.112 0.000 0.707 250 D CB -0.432 40.448 40.800 0.134 0.000 1.034 250 D HN 0.600 nan 8.370 nan 0.000 0.423 251 P HA 0.069 nan 4.420 nan 0.000 0.226 251 P C 0.768 178.026 177.300 -0.071 0.000 1.758 251 P CA 0.037 62.890 63.100 -0.412 0.000 0.896 251 P CB 0.124 31.688 31.700 -0.228 0.000 1.784 252 E N -0.514 119.707 120.200 0.035 0.000 2.153 252 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 252 E C 0.613 177.205 176.600 -0.013 0.000 0.988 252 E CA 1.103 57.512 56.400 0.015 0.000 0.811 252 E CB -0.320 29.353 29.700 -0.045 0.000 0.746 252 E HN 0.366 nan 8.360 nan 0.000 0.466 253 F N 0.678 120.677 119.950 0.083 0.000 2.811 253 F HA 0.167 4.694 4.527 -0.000 0.000 0.301 253 F C 0.988 176.949 175.800 0.268 0.000 1.151 253 F CA -0.251 57.853 58.000 0.174 0.000 1.412 253 F CB -0.045 39.102 39.000 0.246 0.000 1.113 253 F HN -0.152 nan 8.300 nan 0.000 0.579 254 A N 1.334 124.340 122.820 0.311 0.000 2.565 254 A HA 0.368 4.687 4.320 -0.001 0.000 0.237 254 A C -0.245 177.580 177.584 0.402 0.000 1.053 254 A CA 0.353 52.541 52.037 0.250 0.000 0.755 254 A CB -0.603 18.445 19.000 0.081 0.000 0.980 254 A HN 0.473 nan 8.150 nan 0.000 0.506 255 F N -0.504 119.459 119.950 0.021 0.000 2.978 255 F HA 0.534 5.061 4.527 -0.001 0.000 0.324 255 F C -1.487 174.284 175.800 -0.048 0.000 1.157 255 F CA -1.538 56.507 58.000 0.075 0.000 0.879 255 F CB 0.883 39.914 39.000 0.053 0.000 1.364 255 F HN 0.350 nan 8.300 nan 0.000 0.465 256 Y N 1.710 121.853 120.300 -0.262 0.000 2.539 256 Y HA 0.584 5.134 4.550 -0.001 0.000 0.352 256 Y C 0.665 176.138 175.900 -0.712 0.000 1.004 256 Y CA 0.721 58.582 58.100 -0.398 0.000 1.278 256 Y CB 0.834 39.229 38.460 -0.107 0.000 1.136 256 Y HN 0.898 nan 8.280 nan 0.000 0.528 257 G N 4.022 112.299 108.800 -0.872 0.000 2.921 257 G HA2 0.519 4.478 3.960 -0.001 0.000 0.291 257 G HA3 0.519 4.478 3.960 -0.001 0.000 0.291 257 G C -3.261 171.463 174.900 -0.293 0.000 1.370 257 G CA -1.958 42.675 45.100 -0.779 0.000 0.847 257 G HN 0.135 nan 8.290 nan 0.000 0.532 258 P HA 0.252 nan 4.420 nan 0.000 0.271 258 P C 1.123 178.529 177.300 0.176 0.000 1.220 258 P CA -0.276 62.919 63.100 0.158 0.000 0.768 258 P CB 1.036 32.981 31.700 0.408 0.000 0.848 259 I N 2.167 122.856 120.570 0.198 0.000 2.236 259 I HA -0.265 3.904 4.170 -0.001 0.000 0.249 259 I C 2.357 178.588 176.117 0.190 0.000 1.102 259 I CA 2.149 63.567 61.300 0.197 0.000 1.365 259 I CB -0.914 37.243 38.000 0.263 0.000 1.051 259 I HN 0.505 nan 8.210 nan 0.000 0.420 260 G N -0.078 108.894 108.800 0.287 0.000 2.509 260 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.218 260 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.218 260 G C 1.492 176.642 174.900 0.415 0.000 1.124 260 G CA 0.014 45.300 45.100 0.310 0.000 0.776 260 G HN 0.292 nan 8.290 nan 0.000 0.547 261 F N 2.053 122.128 119.950 0.209 0.000 2.069 261 F HA -0.098 4.428 4.527 -0.001 0.000 0.298 261 F C 2.241 178.082 175.800 0.068 0.000 1.113 261 F CA 2.004 59.978 58.000 -0.044 0.000 1.214 261 F CB 0.007 38.862 39.000 -0.242 0.000 0.978 261 F HN 0.090 nan 8.300 nan 0.000 0.474 262 D N -0.039 120.452 120.400 0.150 0.000 2.117 262 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 262 D C 2.529 178.833 176.300 0.007 0.000 0.987 262 D CA 1.651 55.694 54.000 0.073 0.000 0.829 262 D CB -0.734 40.164 40.800 0.164 0.000 0.961 262 D HN 0.233 nan 8.370 nan 0.000 0.460 263 V N 1.100 121.008 119.914 -0.009 0.000 2.287 263 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 263 V C 2.582 178.713 176.094 0.062 0.000 1.053 263 V CA 2.160 64.454 62.300 -0.009 0.000 1.027 263 V CB -1.192 30.536 31.823 -0.159 0.000 0.646 263 V HN 0.253 nan 8.190 nan 0.000 0.447 264 G N -1.488 107.330 108.800 0.031 0.000 2.421 264 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.216 264 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.216 264 G C 1.530 176.393 174.900 -0.061 0.000 1.171 264 G CA 0.706 45.816 45.100 0.017 0.000 0.775 264 G HN 0.523 nan 8.290 nan 0.000 0.543 265 Q N -0.845 118.824 119.800 -0.219 0.000 2.084 265 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 265 Q C 2.222 178.189 176.000 -0.056 0.000 0.978 265 Q CA 1.222 56.895 55.803 -0.218 0.000 0.844 265 Q CB -0.261 28.262 28.738 -0.359 0.000 0.898 265 Q HN 0.566 nan 8.270 nan 0.000 0.426 266 F N 1.121 120.990 119.950 -0.136 0.000 2.075 266 F HA -0.241 4.286 4.527 -0.001 0.000 0.297 266 F C 2.039 177.783 175.800 -0.094 0.000 1.113 266 F CA 1.305 59.237 58.000 -0.113 0.000 1.218 266 F CB -0.111 38.820 39.000 -0.115 0.000 0.984 266 F HN -0.035 nan 8.300 nan 0.000 0.472 267 I N 0.495 120.986 120.570 -0.132 0.000 2.151 267 I HA -0.397 3.772 4.170 -0.001 0.000 0.243 267 I C 2.717 178.724 176.117 -0.182 0.000 1.080 267 I CA 1.348 62.513 61.300 -0.225 0.000 1.339 267 I CB -0.973 37.011 38.000 -0.027 0.000 1.039 267 I HN 0.305 nan 8.210 nan 0.000 0.409 268 A N 0.694 123.506 122.820 -0.013 0.000 1.940 268 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 268 A C 2.069 179.621 177.584 -0.054 0.000 1.176 268 A CA 1.966 54.047 52.037 0.074 0.000 0.631 268 A CB -0.763 18.254 19.000 0.029 0.000 0.814 268 A HN 0.488 nan 8.150 nan 0.000 0.446 269 N N -0.244 118.347 118.700 -0.181 0.000 2.331 269 N HA -0.037 4.702 4.740 -0.001 0.000 0.180 269 N C 1.654 176.987 175.510 -0.294 0.000 1.019 269 N CA 1.077 54.004 53.050 -0.205 0.000 0.881 269 N CB -0.212 38.179 38.487 -0.160 0.000 0.972 269 N HN 0.507 nan 8.380 nan 0.000 0.435 270 L N -0.351 120.582 121.223 -0.483 0.000 2.056 270 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 270 L C 1.935 178.567 176.870 -0.396 0.000 1.078 270 L CA 0.963 55.504 54.840 -0.498 0.000 0.749 270 L CB -0.419 41.241 42.059 -0.665 0.000 0.901 270 L HN 0.005 nan 8.230 nan 0.000 0.433 271 F N 0.062 119.823 119.950 -0.314 0.000 2.186 271 F HA -0.150 4.377 4.527 -0.001 0.000 0.299 271 F C 2.273 177.957 175.800 -0.193 0.000 1.090 271 F CA 1.069 58.827 58.000 -0.405 0.000 1.307 271 F CB -0.633 38.009 39.000 -0.597 0.000 1.019 271 F HN -0.080 nan 8.300 nan 0.000 0.489 272 L N -0.298 120.943 121.223 0.030 0.000 2.046 272 L HA -0.262 4.077 4.340 -0.001 0.000 0.208 272 L C 2.485 179.341 176.870 -0.023 0.000 1.077 272 L CA 1.498 56.341 54.840 0.005 0.000 0.747 272 L CB -0.702 41.334 42.059 -0.040 0.000 0.896 272 L HN 0.235 nan 8.230 nan 0.000 0.432 273 N N 0.213 118.870 118.700 -0.072 0.000 2.142 273 N HA -0.177 4.563 4.740 -0.001 0.000 0.186 273 N C 1.900 177.362 175.510 -0.080 0.000 1.023 273 N CA 1.280 54.283 53.050 -0.078 0.000 0.852 273 N CB 0.136 38.564 38.487 -0.099 0.000 0.998 273 N HN 0.314 nan 8.380 nan 0.000 0.424 274 A N 1.739 124.494 122.820 -0.109 0.000 1.917 274 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 274 A C 2.359 179.953 177.584 0.017 0.000 1.182 274 A CA 1.002 52.962 52.037 -0.130 0.000 0.633 274 A CB -0.841 18.017 19.000 -0.236 0.000 0.819 274 A HN 0.353 nan 8.150 nan 0.000 0.448 275 L N 0.426 121.715 121.223 0.109 0.000 2.191 275 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 275 L C 2.803 179.675 176.870 0.004 0.000 1.103 275 L CA 1.448 56.341 54.840 0.089 0.000 0.769 275 L CB -0.270 41.845 42.059 0.094 0.000 0.908 275 L HN 0.640 nan 8.230 nan 0.000 0.438 276 S N -1.202 114.488 115.700 -0.016 0.000 2.527 276 S HA 0.047 4.517 4.470 -0.001 0.000 0.222 276 S C 1.077 175.656 174.600 -0.035 0.000 0.985 276 S CA -0.231 57.950 58.200 -0.032 0.000 0.921 276 S CB 0.044 63.224 63.200 -0.034 0.000 0.772 276 S HN 0.296 nan 8.310 nan 0.000 0.529 277 R N 0.642 121.118 120.500 -0.040 0.000 2.607 277 R HA 0.625 4.965 4.340 -0.001 0.000 0.261 277 R C -1.390 174.891 176.300 -0.031 0.000 1.051 277 R CA -0.678 55.395 56.100 -0.046 0.000 1.110 277 R CB 0.376 30.632 30.300 -0.074 0.000 1.158 277 R HN 0.208 nan 8.270 nan 0.000 0.543 278 D N -0.908 119.475 120.400 -0.029 0.000 2.481 278 D HA 0.404 5.044 4.640 -0.001 0.000 0.244 278 D C 0.522 176.817 176.300 -0.007 0.000 1.057 278 D CA 0.519 54.511 54.000 -0.015 0.000 0.848 278 D CB 1.834 42.624 40.800 -0.017 0.000 1.388 278 D HN 0.639 nan 8.370 nan 0.000 0.475 279 G N 1.407 110.215 108.800 0.013 0.000 2.611 279 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.301 279 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.301 279 G C 1.176 176.094 174.900 0.029 0.000 1.233 279 G CA 0.817 45.931 45.100 0.024 0.000 0.993 279 G HN 0.829 nan 8.290 nan 0.000 0.553 280 A N -0.682 122.147 122.820 0.016 0.000 2.121 280 A HA 0.139 4.459 4.320 -0.001 0.000 0.218 280 A C 1.874 179.448 177.584 -0.017 0.000 1.154 280 A CA 2.271 54.316 52.037 0.012 0.000 0.679 280 A CB -0.394 18.608 19.000 0.004 0.000 0.795 280 A HN 0.599 nan 8.150 nan 0.000 0.458 281 D N -0.176 120.204 120.400 -0.033 0.000 2.312 281 D HA -0.066 4.574 4.640 -0.001 0.000 0.211 281 D C 1.876 178.114 176.300 -0.104 0.000 0.964 281 D CA 0.633 54.596 54.000 -0.061 0.000 0.877 281 D CB -0.288 40.479 40.800 -0.055 0.000 0.924 281 D HN 0.479 nan 8.370 nan 0.000 0.515 282 R N 0.545 120.974 120.500 -0.119 0.000 2.189 282 R HA -0.022 4.318 4.340 -0.001 0.000 0.218 282 R C 1.761 177.832 176.300 -0.382 0.000 1.074 282 R CA 0.469 56.397 56.100 -0.286 0.000 0.991 282 R CB 0.114 30.241 30.300 -0.288 0.000 0.883 282 R HN 0.097 nan 8.270 nan 0.000 0.457 283 E N 0.434 120.554 120.200 -0.134 0.000 2.085 283 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 283 E C -0.787 175.749 176.600 -0.107 0.000 0.994 283 E CA 1.352 57.739 56.400 -0.021 0.000 0.801 283 E CB -1.160 28.557 29.700 0.029 0.000 0.743 283 E HN 0.282 nan 8.360 nan 0.000 0.453 284 P HA -0.121 nan 4.420 nan 0.000 0.218 284 P C 1.442 178.562 177.300 -0.300 0.000 1.148 284 P CA 0.821 63.772 63.100 -0.248 0.000 0.822 284 P CB 0.077 31.659 31.700 -0.198 0.000 0.784 285 L N -2.244 118.833 121.223 -0.244 0.000 2.072 285 L HA -0.108 4.232 4.340 -0.001 0.000 0.205 285 L C 2.371 179.107 176.870 -0.223 0.000 1.079 285 L CA 1.814 56.521 54.840 -0.223 0.000 0.752 285 L CB -1.744 40.109 42.059 -0.343 0.000 0.906 285 L HN 0.113 nan 8.230 nan 0.000 0.436 286 Y N 0.209 120.421 120.300 -0.147 0.000 2.181 286 Y HA -0.206 4.344 4.550 -0.001 0.000 0.288 286 Y C 2.664 178.495 175.900 -0.115 0.000 1.146 286 Y CA 0.315 58.334 58.100 -0.133 0.000 1.164 286 Y CB 0.067 38.513 38.460 -0.023 0.000 0.982 286 Y HN 0.197 nan 8.280 nan 0.000 0.515 287 E N -0.327 119.885 120.200 0.020 0.000 2.085 287 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 287 E C 1.890 178.461 176.600 -0.049 0.000 0.994 287 E CA 1.204 57.572 56.400 -0.054 0.000 0.801 287 E CB -0.428 29.177 29.700 -0.157 0.000 0.743 287 E HN 0.587 nan 8.360 nan 0.000 0.453 288 H N 0.254 119.304 119.070 -0.033 0.000 2.321 288 H HA -0.056 4.500 4.556 -0.001 0.000 0.300 288 H C 2.389 177.704 175.328 -0.022 0.000 1.087 288 H CA 1.104 57.137 56.048 -0.024 0.000 1.319 288 H CB -0.463 29.261 29.762 -0.063 0.000 1.379 288 H HN -0.025 nan 8.280 nan 0.000 0.501 289 V N 1.484 121.392 119.914 -0.010 0.000 2.287 289 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 289 V C 2.376 178.515 176.094 0.074 0.000 1.053 289 V CA 2.146 64.388 62.300 -0.097 0.000 1.027 289 V CB -0.651 30.929 31.823 -0.405 0.000 0.646 289 V HN 0.429 nan 8.190 nan 0.000 0.447 290 N N -0.020 118.728 118.700 0.081 0.000 2.043 290 N HA -0.264 4.476 4.740 -0.001 0.000 0.193 290 N C 1.873 177.485 175.510 0.169 0.000 1.037 290 N CA 1.932 55.060 53.050 0.129 0.000 0.851 290 N CB -0.238 38.301 38.487 0.087 0.000 1.027 290 N HN 0.417 nan 8.380 nan 0.000 0.422 291 Q N -0.067 119.819 119.800 0.143 0.000 2.119 291 Q HA -0.011 4.329 4.340 -0.001 0.000 0.201 291 Q C 1.970 178.072 176.000 0.169 0.000 0.972 291 Q CA 1.011 56.899 55.803 0.142 0.000 0.847 291 Q CB -0.597 28.222 28.738 0.135 0.000 0.903 291 Q HN 0.338 nan 8.270 nan 0.000 0.433 292 V N -0.040 120.005 119.914 0.219 0.000 2.358 292 V HA -0.163 3.957 4.120 -0.001 0.000 0.246 292 V C 1.767 178.007 176.094 0.243 0.000 1.047 292 V CA 1.849 64.291 62.300 0.237 0.000 1.035 292 V CB -0.456 31.574 31.823 0.346 0.000 0.658 292 V HN 0.714 nan 8.190 nan 0.000 0.452 293 W N 0.825 122.222 121.300 0.163 0.000 2.354 293 W HA -0.174 4.486 4.660 -0.001 0.000 0.315 293 W C 2.275 178.899 176.519 0.174 0.000 1.206 293 W CA 2.119 59.579 57.345 0.190 0.000 1.290 293 W CB -0.322 29.234 29.460 0.160 0.000 1.152 293 W HN 0.375 nan 8.180 nan 0.000 0.489 294 E N -0.367 119.892 120.200 0.098 0.000 2.049 294 E HA -0.243 4.106 4.350 -0.001 0.000 0.198 294 E C 2.007 178.544 176.600 -0.105 0.000 1.007 294 E CA 2.581 58.973 56.400 -0.013 0.000 0.809 294 E CB -0.571 29.169 29.700 0.065 0.000 0.749 294 E HN 0.205 nan 8.360 nan 0.000 0.450 295 T N 0.997 115.535 114.554 -0.027 0.000 2.777 295 T HA -0.146 4.203 4.350 -0.001 0.000 0.266 295 T C 1.506 176.156 174.700 -0.085 0.000 1.040 295 T CA 1.087 63.173 62.100 -0.024 0.000 1.141 295 T CB -0.433 68.467 68.868 0.053 0.000 0.868 295 T HN 0.186 nan 8.240 nan 0.000 0.444 296 F N 2.266 122.081 119.950 -0.225 0.000 2.065 296 F HA -0.179 4.348 4.527 -0.001 0.000 0.298 296 F C 2.415 177.977 175.800 -0.396 0.000 1.112 296 F CA 2.046 59.863 58.000 -0.305 0.000 1.212 296 F CB -0.454 38.290 39.000 -0.427 0.000 0.975 296 F HN 0.201 nan 8.300 nan 0.000 0.476 297 E N -0.054 119.638 120.200 -0.846 0.000 2.077 297 E HA -0.293 4.057 4.350 -0.001 0.000 0.193 297 E C 2.303 178.610 176.600 -0.488 0.000 0.989 297 E CA 1.536 57.449 56.400 -0.811 0.000 0.800 297 E CB -0.471 28.857 29.700 -0.620 0.000 0.746 297 E HN 0.705 nan 8.360 nan 0.000 0.452 298 E N -0.639 119.359 120.200 -0.337 0.000 2.072 298 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 298 E C 1.828 178.299 176.600 -0.215 0.000 0.985 298 E CA 1.724 57.993 56.400 -0.218 0.000 0.801 298 E CB 0.031 29.650 29.700 -0.135 0.000 0.750 298 E HN 0.257 nan 8.360 nan 0.000 0.452 299 T N 0.522 114.941 114.554 -0.225 0.000 2.737 299 T HA -0.139 4.211 4.350 -0.001 0.000 0.265 299 T C 1.435 175.988 174.700 -0.245 0.000 1.038 299 T CA 1.211 63.209 62.100 -0.171 0.000 1.144 299 T CB -0.498 68.318 68.868 -0.087 0.000 0.866 299 T HN 0.230 nan 8.240 nan 0.000 0.434 300 F N 2.020 121.641 119.950 -0.549 0.000 2.126 300 F HA -0.147 4.379 4.527 -0.001 0.000 0.299 300 F C 2.525 178.024 175.800 -0.501 0.000 1.096 300 F CA 1.169 58.827 58.000 -0.570 0.000 1.255 300 F CB -0.264 38.200 39.000 -0.893 0.000 0.997 300 F HN 0.046 nan 8.300 nan 0.000 0.479 301 S N -0.016 115.524 115.700 -0.267 0.000 2.368 301 S HA -0.155 4.315 4.470 -0.001 0.000 0.224 301 S C 2.253 176.693 174.600 -0.267 0.000 1.029 301 S CA 1.262 59.292 58.200 -0.283 0.000 0.988 301 S CB -0.807 62.242 63.200 -0.251 0.000 0.838 301 S HN 0.620 nan 8.310 nan 0.000 0.462 302 E N 1.438 121.486 120.200 -0.252 0.000 2.077 302 E HA 0.043 4.393 4.350 -0.001 0.000 0.193 302 E C 2.143 178.571 176.600 -0.286 0.000 0.989 302 E CA 1.381 57.661 56.400 -0.201 0.000 0.800 302 E CB -1.116 28.500 29.700 -0.141 0.000 0.746 302 E HN 0.598 nan 8.360 nan 0.000 0.452 303 A N -0.061 122.456 122.820 -0.504 0.000 1.898 303 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 303 A C 2.220 179.056 177.584 -1.248 0.000 1.181 303 A CA 1.589 53.111 52.037 -0.857 0.000 0.620 303 A CB -0.811 17.428 19.000 -1.269 0.000 0.819 303 A HN 0.789 nan 8.150 nan 0.000 0.442 304 W N 0.880 121.273 121.300 -1.510 0.000 2.335 304 W HA -0.225 4.435 4.660 -0.001 0.000 0.311 304 W C 1.947 178.228 176.519 -0.397 0.000 1.213 304 W CA 2.174 58.964 57.345 -0.925 0.000 1.274 304 W CB -0.650 28.414 29.460 -0.660 0.000 1.148 304 W HN 0.502 nan 8.180 nan 0.000 0.498 305 Q N 0.401 120.224 119.800 0.038 0.000 2.050 305 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 305 Q C 2.679 178.663 176.000 -0.027 0.000 0.980 305 Q CA 3.431 59.270 55.803 0.060 0.000 0.840 305 Q CB -0.427 28.321 28.738 0.017 0.000 0.898 305 Q HN 0.261 nan 8.270 nan 0.000 0.424 306 K N 0.148 120.498 120.400 -0.083 0.000 2.186 306 K HA -0.041 4.278 4.320 -0.001 0.000 0.202 306 K C 0.987 177.580 176.600 -0.012 0.000 1.052 306 K CA 1.568 57.830 56.287 -0.042 0.000 0.965 306 K CB 0.190 32.672 32.500 -0.029 0.000 0.746 306 K HN 0.150 nan 8.250 nan 0.000 0.457 307 D N -0.842 119.536 120.400 -0.037 0.000 2.556 307 D HA 0.136 4.776 4.640 -0.001 0.000 0.237 307 D C -0.606 175.795 176.300 0.167 0.000 1.296 307 D CA -0.025 54.044 54.000 0.115 0.000 0.807 307 D CB 0.671 41.658 40.800 0.311 0.000 1.084 307 D HN 0.264 nan 8.370 nan 0.000 0.510 308 S N 0.498 116.226 115.700 0.047 0.000 2.565 308 S HA 0.264 4.734 4.470 -0.001 0.000 0.276 308 S C 1.277 175.840 174.600 -0.061 0.000 1.326 308 S CA -0.335 57.844 58.200 -0.034 0.000 1.045 308 S CB 0.660 63.618 63.200 -0.404 0.000 0.918 308 S HN 0.142 nan 8.310 nan 0.000 0.505 309 L N 2.258 123.444 121.223 -0.063 0.000 2.585 309 L HA 0.277 4.616 4.340 -0.001 0.000 0.226 309 L C 0.472 177.314 176.870 -0.048 0.000 1.113 309 L CA -0.080 54.734 54.840 -0.043 0.000 0.876 309 L CB -0.090 41.948 42.059 -0.035 0.000 1.072 309 L HN 0.551 nan 8.230 nan 0.000 0.468 310 D N 0.511 120.875 120.400 -0.061 0.000 2.348 310 D HA 0.077 4.716 4.640 -0.001 0.000 0.253 310 D C 1.296 177.580 176.300 -0.028 0.000 1.161 310 D CA -0.119 53.874 54.000 -0.011 0.000 0.876 310 D CB 1.881 42.705 40.800 0.039 0.000 1.160 310 D HN -0.034 nan 8.370 nan 0.000 0.459 311 V N 2.686 122.553 119.914 -0.079 0.000 2.759 311 V HA -0.160 3.960 4.120 -0.001 0.000 0.256 311 V C 1.509 177.510 176.094 -0.155 0.000 1.080 311 V CA 1.111 63.315 62.300 -0.160 0.000 1.101 311 V CB -1.462 30.197 31.823 -0.274 0.000 0.698 311 V HN 0.582 nan 8.190 nan 0.000 0.477 312 Y N 0.964 121.276 120.300 0.020 0.000 2.544 312 Y HA 0.413 4.963 4.550 -0.001 0.000 0.286 312 Y C 2.677 178.704 175.900 0.212 0.000 1.141 312 Y CA 0.518 58.640 58.100 0.037 0.000 1.299 312 Y CB -0.378 38.010 38.460 -0.120 0.000 1.030 312 Y HN 0.270 nan 8.280 nan 0.000 0.543 313 A N 0.776 123.774 122.820 0.297 0.000 1.958 313 A HA -0.276 4.043 4.320 -0.001 0.000 0.221 313 A C 1.678 179.564 177.584 0.503 0.000 1.178 313 A CA 2.273 54.467 52.037 0.261 0.000 0.642 313 A CB -0.576 18.269 19.000 -0.259 0.000 0.816 313 A HN 0.398 nan 8.150 nan 0.000 0.453 314 N N -0.821 118.057 118.700 0.297 0.000 2.268 314 N HA 0.266 5.006 4.740 -0.001 0.000 0.204 314 N C -0.399 175.243 175.510 0.221 0.000 1.124 314 N CA -0.038 53.162 53.050 0.251 0.000 0.838 314 N CB -0.124 38.448 38.487 0.142 0.000 0.994 314 N HN 0.482 nan 8.380 nan 0.000 0.489 315 I N 0.418 121.151 120.570 0.272 0.000 2.416 315 I HA 0.016 4.186 4.170 -0.001 0.000 0.288 315 I C 0.393 176.641 176.117 0.218 0.000 1.051 315 I CA -0.604 60.825 61.300 0.215 0.000 1.375 315 I CB 0.593 38.722 38.000 0.215 0.000 1.407 315 I HN -0.005 nan 8.210 nan 0.000 0.516 316 D N 4.842 125.328 120.400 0.144 0.000 2.417 316 D HA 0.325 4.965 4.640 -0.001 0.000 0.250 316 D C 0.921 177.289 176.300 0.114 0.000 1.166 316 D CA 1.477 55.544 54.000 0.111 0.000 0.881 316 D CB 0.761 41.604 40.800 0.071 0.000 1.164 316 D HN 0.770 nan 8.370 nan 0.000 0.467 317 G N 3.046 111.904 108.800 0.098 0.000 2.284 317 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.216 317 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.216 317 G C 0.922 175.909 174.900 0.144 0.000 1.009 317 G CA 0.288 45.445 45.100 0.094 0.000 0.625 317 G HN 0.524 nan 8.290 nan 0.000 0.501 318 Y N 1.384 121.723 120.300 0.065 0.000 2.133 318 Y HA 0.232 4.782 4.550 -0.001 0.000 0.287 318 Y C 2.649 178.541 175.900 -0.013 0.000 1.134 318 Y CA 2.149 60.313 58.100 0.106 0.000 1.133 318 Y CB -0.586 38.021 38.460 0.245 0.000 0.987 318 Y HN 0.374 nan 8.280 nan 0.000 0.502 319 L N -0.148 120.866 121.223 -0.349 0.000 2.012 319 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 319 L C 2.183 178.732 176.870 -0.534 0.000 1.073 319 L CA 2.750 57.008 54.840 -0.969 0.000 0.748 319 L CB -1.337 40.009 42.059 -1.189 0.000 0.891 319 L HN 0.275 nan 8.230 nan 0.000 0.431 320 T N -0.430 113.964 114.554 -0.267 0.000 2.684 320 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 320 T C 1.519 176.169 174.700 -0.082 0.000 1.036 320 T CA 1.699 63.712 62.100 -0.144 0.000 1.148 320 T CB -0.449 68.378 68.868 -0.067 0.000 0.863 320 T HN 0.399 nan 8.240 nan 0.000 0.436 321 D N 0.626 121.004 120.400 -0.037 0.000 2.144 321 D HA -0.048 4.591 4.640 -0.001 0.000 0.199 321 D C 2.360 178.676 176.300 0.026 0.000 0.984 321 D CA 1.065 55.085 54.000 0.034 0.000 0.834 321 D CB -0.606 40.258 40.800 0.108 0.000 0.955 321 D HN 0.335 nan 8.370 nan 0.000 0.465 322 T N 0.911 115.395 114.554 -0.117 0.000 2.674 322 T HA -0.092 4.258 4.350 -0.001 0.000 0.265 322 T C 2.219 176.917 174.700 -0.003 0.000 1.039 322 T CA 0.616 62.659 62.100 -0.094 0.000 1.150 322 T CB -0.369 68.276 68.868 -0.372 0.000 0.864 322 T HN 0.118 nan 8.240 nan 0.000 0.427 323 L N 0.924 122.090 121.223 -0.094 0.000 2.079 323 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 323 L C 2.839 179.839 176.870 0.217 0.000 1.081 323 L CA 1.049 55.912 54.840 0.038 0.000 0.752 323 L CB -0.551 41.487 42.059 -0.035 0.000 0.896 323 L HN 0.238 nan 8.230 nan 0.000 0.433 324 S N -1.864 113.926 115.700 0.150 0.000 2.368 324 S HA -0.220 4.250 4.470 -0.001 0.000 0.224 324 S C 1.935 176.678 174.600 0.238 0.000 1.029 324 S CA 0.916 59.232 58.200 0.192 0.000 0.988 324 S CB -0.445 62.834 63.200 0.132 0.000 0.838 324 S HN 0.510 nan 8.310 nan 0.000 0.462 325 H N 1.073 120.222 119.070 0.132 0.000 2.357 325 H HA 0.050 4.606 4.556 -0.001 0.000 0.301 325 H C 2.040 177.457 175.328 0.148 0.000 1.082 325 H CA 1.329 57.450 56.048 0.122 0.000 1.342 325 H CB -0.174 29.660 29.762 0.121 0.000 1.389 325 H HN 0.335 nan 8.280 nan 0.000 0.511 326 I N 0.229 120.882 120.570 0.139 0.000 2.163 326 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 326 I C 2.471 178.693 176.117 0.175 0.000 1.085 326 I CA 1.225 62.620 61.300 0.157 0.000 1.347 326 I CB -0.477 37.682 38.000 0.264 0.000 1.044 326 I HN 0.171 nan 8.210 nan 0.000 0.408 327 F N 1.805 121.784 119.950 0.049 0.000 2.069 327 F HA -0.283 4.244 4.527 -0.001 0.000 0.298 327 F C 2.595 178.214 175.800 -0.301 0.000 1.113 327 F CA 2.240 60.027 58.000 -0.355 0.000 1.214 327 F CB -0.549 38.162 39.000 -0.481 0.000 0.978 327 F HN 0.116 nan 8.300 nan 0.000 0.474 328 E N 0.025 120.102 120.200 -0.206 0.000 2.049 328 E HA -0.272 4.078 4.350 -0.001 0.000 0.198 328 E C 2.151 178.542 176.600 -0.347 0.000 1.007 328 E CA 1.912 58.144 56.400 -0.281 0.000 0.809 328 E CB -0.354 29.278 29.700 -0.113 0.000 0.749 328 E HN 0.608 nan 8.360 nan 0.000 0.450 329 E N -0.006 119.979 120.200 -0.359 0.000 2.077 329 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 329 E C 2.111 178.477 176.600 -0.390 0.000 0.989 329 E CA 0.772 56.892 56.400 -0.467 0.000 0.800 329 E CB -0.169 29.320 29.700 -0.352 0.000 0.746 329 E HN 0.394 nan 8.360 nan 0.000 0.452 330 A N 1.696 124.437 122.820 -0.131 0.000 1.892 330 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 330 A C 2.120 179.610 177.584 -0.157 0.000 1.188 330 A CA 1.346 53.378 52.037 -0.009 0.000 0.631 330 A CB -0.505 18.497 19.000 0.003 0.000 0.822 330 A HN 0.131 nan 8.150 nan 0.000 0.447 331 I N -0.072 120.257 120.570 -0.402 0.000 2.252 331 I HA -0.163 4.006 4.170 -0.001 0.000 0.245 331 I C 2.689 178.679 176.117 -0.212 0.000 1.102 331 I CA 1.396 62.410 61.300 -0.476 0.000 1.385 331 I CB -2.124 35.441 38.000 -0.725 0.000 1.064 331 I HN 0.341 nan 8.210 nan 0.000 0.414 332 G N 0.613 109.277 108.800 -0.227 0.000 2.418 332 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 332 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 332 G C 1.523 176.408 174.900 -0.025 0.000 1.158 332 G CA 0.386 45.395 45.100 -0.152 0.000 0.771 332 G HN 0.220 nan 8.290 nan 0.000 0.545 333 F N 1.807 121.809 119.950 0.087 0.000 2.234 333 F HA 0.152 4.679 4.527 -0.000 0.000 0.299 333 F C 2.975 178.750 175.800 -0.042 0.000 1.087 333 F CA 0.223 58.267 58.000 0.075 0.000 1.340 333 F CB -0.804 38.253 39.000 0.095 0.000 1.031 333 F HN 0.247 nan 8.300 nan 0.000 0.500 334 A N 0.497 123.402 122.820 0.141 0.000 1.908 334 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 334 A C 2.640 180.342 177.584 0.195 0.000 1.181 334 A CA 1.860 53.983 52.037 0.143 0.000 0.627 334 A CB -1.565 17.542 19.000 0.179 0.000 0.818 334 A HN 0.395 nan 8.150 nan 0.000 0.445 335 G N -0.798 108.154 108.800 0.253 0.000 2.446 335 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 335 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 335 G C 1.588 176.556 174.900 0.113 0.000 1.168 335 G CA 1.362 46.571 45.100 0.181 0.000 0.771 335 G HN 0.543 nan 8.290 nan 0.000 0.551 336 C N 0.120 119.511 119.300 0.152 0.000 2.425 336 C HA 0.045 4.505 4.460 -0.001 0.000 0.277 336 C C 2.693 177.671 174.990 -0.020 0.000 1.280 336 C CA 1.079 60.180 59.018 0.138 0.000 1.744 336 C CB -0.578 27.200 27.740 0.065 0.000 1.989 336 C HN 0.626 nan 8.230 nan 0.000 0.491 337 E N 1.024 121.193 120.200 -0.052 0.000 2.107 337 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 337 E C 1.964 178.511 176.600 -0.089 0.000 0.982 337 E CA 0.998 57.337 56.400 -0.102 0.000 0.809 337 E CB -0.435 29.191 29.700 -0.123 0.000 0.756 337 E HN 0.578 nan 8.360 nan 0.000 0.459 338 L N -0.011 121.174 121.223 -0.064 0.000 2.012 338 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 338 L C 2.449 179.236 176.870 -0.137 0.000 1.073 338 L CA 1.374 56.157 54.840 -0.095 0.000 0.748 338 L CB -0.364 41.619 42.059 -0.128 0.000 0.891 338 L HN 0.235 nan 8.230 nan 0.000 0.431 339 I N -0.964 119.520 120.570 -0.144 0.000 2.163 339 I HA -0.282 3.887 4.170 -0.001 0.000 0.240 339 I C 2.834 178.821 176.117 -0.217 0.000 1.081 339 I CA 1.045 62.218 61.300 -0.212 0.000 1.353 339 I CB -0.442 37.395 38.000 -0.271 0.000 1.054 339 I HN 0.262 nan 8.210 nan 0.000 0.407 340 R N 1.268 121.658 120.500 -0.184 0.000 2.119 340 R HA -0.215 4.124 4.340 -0.001 0.000 0.246 340 R C 2.131 178.374 176.300 -0.094 0.000 1.146 340 R CA 1.674 57.697 56.100 -0.129 0.000 0.962 340 R CB -0.285 29.950 30.300 -0.109 0.000 0.863 340 R HN 0.229 nan 8.270 nan 0.000 0.442 341 R N -0.244 120.183 120.500 -0.121 0.000 2.236 341 R HA 0.020 4.360 4.340 -0.001 0.000 0.208 341 R C 1.914 178.079 176.300 -0.226 0.000 1.036 341 R CA 1.229 57.256 56.100 -0.122 0.000 1.001 341 R CB -0.434 29.793 30.300 -0.121 0.000 0.896 341 R HN 0.321 nan 8.270 nan 0.000 0.464 342 T N 0.856 115.263 114.554 -0.245 0.000 2.983 342 T HA 0.098 4.447 4.350 -0.001 0.000 0.250 342 T C 1.747 176.236 174.700 -0.351 0.000 1.037 342 T CA 0.906 62.811 62.100 -0.324 0.000 1.142 342 T CB 0.194 68.916 68.868 -0.243 0.000 0.876 342 T HN 0.398 nan 8.240 nan 0.000 0.455 343 I N -1.440 119.034 120.570 -0.159 0.000 4.240 343 I HA 0.540 4.709 4.170 -0.001 0.000 0.331 343 I C 0.981 177.265 176.117 0.279 0.000 1.381 343 I CA -0.630 60.709 61.300 0.066 0.000 1.136 343 I CB 0.183 38.128 38.000 -0.092 0.000 1.137 343 I HN 0.054 nan 8.210 nan 0.000 0.411 344 G N 1.097 110.010 108.800 0.188 0.000 2.531 344 G HA2 0.332 4.291 3.960 -0.001 0.000 0.281 344 G HA3 0.332 4.291 3.960 -0.001 0.000 0.281 344 G C 0.443 175.503 174.900 0.266 0.000 1.382 344 G CA -0.521 44.707 45.100 0.214 0.000 1.045 344 G HN 0.233 nan 8.290 nan 0.000 0.533 345 L N -0.408 120.910 121.223 0.158 0.000 2.046 345 L HA 0.182 4.521 4.340 -0.001 0.000 0.208 345 L C 1.786 178.683 176.870 0.045 0.000 1.077 345 L CA 1.723 56.610 54.840 0.079 0.000 0.747 345 L CB -0.224 41.875 42.059 0.066 0.000 0.896 345 L HN 0.443 nan 8.230 nan 0.000 0.432 346 A N -0.702 122.176 122.820 0.096 0.000 2.341 346 A HA 0.346 4.665 4.320 -0.001 0.000 0.326 346 A C -0.674 177.004 177.584 0.156 0.000 1.402 346 A CA -0.491 51.585 52.037 0.064 0.000 0.957 346 A CB -0.273 18.732 19.000 0.008 0.000 1.151 346 A HN 0.490 nan 8.150 nan 0.000 0.533 347 H N 0.379 119.430 119.070 -0.032 0.000 2.505 347 H HA 0.539 5.095 4.556 -0.001 0.000 0.358 347 H C 0.118 175.411 175.328 -0.059 0.000 1.304 347 H CA -0.619 55.408 56.048 -0.036 0.000 1.393 347 H CB 1.707 31.462 29.762 -0.011 0.000 1.591 347 H HN 0.565 nan 8.280 nan 0.000 0.595 348 V N -1.156 118.787 119.914 0.047 0.000 2.581 348 V HA 0.483 4.603 4.120 -0.001 0.000 0.303 348 V C 0.850 176.955 176.094 0.019 0.000 1.041 348 V CA -0.440 61.859 62.300 -0.001 0.000 0.907 348 V CB 1.147 32.944 31.823 -0.044 0.000 0.994 348 V HN 0.961 nan 8.190 nan 0.000 0.442 349 A N 1.957 124.789 122.820 0.019 0.000 2.019 349 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 349 A C 1.478 179.066 177.584 0.006 0.000 1.164 349 A CA 1.941 53.991 52.037 0.022 0.000 0.644 349 A CB -0.858 18.156 19.000 0.022 0.000 0.805 349 A HN 1.027 nan 8.150 nan 0.000 0.449 350 D N -0.154 120.241 120.400 -0.008 0.000 2.116 350 D HA -0.171 4.469 4.640 -0.001 0.000 0.193 350 D C 1.581 177.864 176.300 -0.028 0.000 0.998 350 D CA 1.245 55.233 54.000 -0.021 0.000 0.836 350 D CB -0.232 40.548 40.800 -0.032 0.000 0.951 350 D HN 0.330 nan 8.370 nan 0.000 0.449 351 L N 0.413 121.613 121.223 -0.039 0.000 2.102 351 L HA -0.005 4.335 4.340 -0.001 0.000 0.202 351 L C 1.500 178.347 176.870 -0.038 0.000 1.076 351 L CA 1.513 56.318 54.840 -0.058 0.000 0.761 351 L CB -0.609 41.390 42.059 -0.100 0.000 0.921 351 L HN -0.109 nan 8.230 nan 0.000 0.444 352 D N -1.118 119.282 120.400 -0.000 0.000 2.263 352 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 352 D C 1.885 178.208 176.300 0.038 0.000 0.971 352 D CA 1.516 55.543 54.000 0.045 0.000 0.867 352 D CB -0.068 40.798 40.800 0.110 0.000 0.929 352 D HN 0.409 nan 8.370 nan 0.000 0.492 353 T N -2.102 112.465 114.554 0.021 0.000 3.086 353 T HA 0.192 4.541 4.350 -0.001 0.000 0.250 353 T C 0.976 175.683 174.700 0.011 0.000 1.074 353 T CA -0.360 61.753 62.100 0.022 0.000 0.988 353 T CB -0.269 68.610 68.868 0.018 0.000 0.988 353 T HN -0.022 nan 8.240 nan 0.000 0.530 354 I N 3.316 123.883 120.570 -0.006 0.000 2.683 354 I HA 0.213 4.383 4.170 -0.001 0.000 0.286 354 I C 0.309 176.424 176.117 -0.002 0.000 1.175 354 I CA -0.328 60.961 61.300 -0.018 0.000 1.429 354 I CB 0.586 38.558 38.000 -0.047 0.000 1.371 354 I HN 0.164 nan 8.210 nan 0.000 0.569 355 V N 5.041 124.957 119.914 0.004 0.000 2.914 355 V HA 0.688 4.808 4.120 -0.001 0.000 0.314 355 V C -2.352 173.749 176.094 0.012 0.000 1.084 355 V CA -1.768 60.546 62.300 0.023 0.000 0.963 355 V CB 1.345 33.187 31.823 0.033 0.000 1.025 355 V HN 0.564 nan 8.190 nan 0.000 0.432 356 P HA 0.259 nan 4.420 nan 0.000 0.277 356 P C 0.764 178.122 177.300 0.096 0.000 1.276 356 P CA -0.334 62.806 63.100 0.068 0.000 0.788 356 P CB 0.680 32.419 31.700 0.065 0.000 1.114 357 F N 0.725 120.674 119.950 -0.001 0.000 2.082 357 F HA -0.286 4.240 4.527 -0.001 0.000 0.298 357 F C 1.653 177.451 175.800 -0.003 0.000 1.091 357 F CA 2.433 60.435 58.000 0.002 0.000 1.230 357 F CB -0.412 38.592 39.000 0.007 0.000 0.983 357 F HN 0.189 nan 8.300 nan 0.000 0.485 358 D N -1.102 119.297 120.400 -0.003 0.000 2.379 358 D HA -0.031 4.609 4.640 -0.001 0.000 0.218 358 D C 2.138 178.371 176.300 -0.113 0.000 1.006 358 D CA 0.474 54.462 54.000 -0.020 0.000 0.893 358 D CB -0.069 40.775 40.800 0.074 0.000 1.019 358 D HN 0.259 nan 8.370 nan 0.000 0.503 359 K N 0.900 121.250 120.400 -0.082 0.000 2.057 359 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 359 K C 2.119 178.632 176.600 -0.146 0.000 1.050 359 K CA 0.698 56.927 56.287 -0.096 0.000 0.935 359 K CB 0.201 32.667 32.500 -0.056 0.000 0.715 359 K HN -0.086 nan 8.250 nan 0.000 0.439 360 R N 0.645 121.039 120.500 -0.177 0.000 2.094 360 R HA -0.154 4.186 4.340 -0.001 0.000 0.239 360 R C 2.165 178.295 176.300 -0.283 0.000 1.137 360 R CA 1.772 57.743 56.100 -0.216 0.000 0.943 360 R CB -0.237 29.922 30.300 -0.234 0.000 0.850 360 R HN 0.193 nan 8.270 nan 0.000 0.433 361 I N 0.515 120.843 120.570 -0.403 0.000 2.208 361 I HA -0.172 3.998 4.170 -0.001 0.000 0.245 361 I C 2.481 178.441 176.117 -0.262 0.000 1.097 361 I CA 1.751 62.846 61.300 -0.342 0.000 1.363 361 I CB -1.783 36.006 38.000 -0.352 0.000 1.051 361 I HN 0.435 nan 8.210 nan 0.000 0.413 362 G N 0.904 109.563 108.800 -0.235 0.000 2.418 362 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.217 362 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.217 362 G C 1.788 176.537 174.900 -0.250 0.000 1.158 362 G CA 0.232 45.188 45.100 -0.240 0.000 0.771 362 G HN 0.214 nan 8.290 nan 0.000 0.545 363 R N 0.636 121.013 120.500 -0.205 0.000 2.092 363 R HA 0.054 4.394 4.340 -0.001 0.000 0.231 363 R C 2.450 178.627 176.300 -0.205 0.000 1.119 363 R CA 0.854 56.844 56.100 -0.183 0.000 0.970 363 R CB -0.484 29.737 30.300 -0.132 0.000 0.864 363 R HN 0.382 nan 8.270 nan 0.000 0.440 364 K N 0.326 120.594 120.400 -0.219 0.000 2.148 364 K HA -0.084 4.235 4.320 -0.001 0.000 0.204 364 K C 2.144 178.581 176.600 -0.273 0.000 1.050 364 K CA 0.797 56.949 56.287 -0.226 0.000 0.942 364 K CB -0.085 32.290 32.500 -0.208 0.000 0.724 364 K HN 0.079 nan 8.250 nan 0.000 0.446 365 R N 1.438 121.731 120.500 -0.345 0.000 2.081 365 R HA -0.100 4.240 4.340 -0.001 0.000 0.235 365 R C 2.099 178.151 176.300 -0.413 0.000 1.131 365 R CA 1.083 56.893 56.100 -0.483 0.000 0.960 365 R CB -0.215 29.596 30.300 -0.817 0.000 0.856 365 R HN 0.129 nan 8.270 nan 0.000 0.436 366 L N 0.445 121.449 121.223 -0.364 0.000 2.093 366 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 366 L C 2.761 179.426 176.870 -0.342 0.000 1.085 366 L CA 1.136 55.762 54.840 -0.356 0.000 0.755 366 L CB -0.514 41.339 42.059 -0.343 0.000 0.904 366 L HN 0.321 nan 8.230 nan 0.000 0.435 367 A N 0.220 122.880 122.820 -0.267 0.000 1.902 367 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 367 A C 2.254 179.687 177.584 -0.253 0.000 1.181 367 A CA 1.404 53.309 52.037 -0.221 0.000 0.623 367 A CB -0.630 18.270 19.000 -0.168 0.000 0.818 367 A HN 0.351 nan 8.150 nan 0.000 0.443 368 L N -0.892 120.173 121.223 -0.262 0.000 2.017 368 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 368 L C 2.639 179.366 176.870 -0.238 0.000 1.073 368 L CA 1.776 56.466 54.840 -0.250 0.000 0.745 368 L CB -0.619 41.286 42.059 -0.256 0.000 0.894 368 L HN 0.475 nan 8.230 nan 0.000 0.432 369 E N -0.433 119.606 120.200 -0.268 0.000 2.072 369 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 369 E C 2.154 178.587 176.600 -0.279 0.000 0.985 369 E CA 1.785 58.037 56.400 -0.246 0.000 0.801 369 E CB -0.094 29.448 29.700 -0.264 0.000 0.750 369 E HN 0.601 nan 8.360 nan 0.000 0.452 370 T N -1.451 112.867 114.554 -0.393 0.000 2.777 370 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 370 T C 2.141 176.447 174.700 -0.656 0.000 1.040 370 T CA 1.042 62.804 62.100 -0.562 0.000 1.141 370 T CB -0.768 67.652 68.868 -0.748 0.000 0.868 370 T HN 0.191 nan 8.240 nan 0.000 0.444 371 G N 1.363 109.883 108.800 -0.467 0.000 2.440 371 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.218 371 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.218 371 G C 1.729 176.576 174.900 -0.087 0.000 1.154 371 G CA 1.453 46.381 45.100 -0.287 0.000 0.767 371 G HN 0.533 nan 8.290 nan 0.000 0.552 372 T N 1.685 116.188 114.554 -0.085 0.000 2.684 372 T HA -0.037 4.313 4.350 -0.001 0.000 0.267 372 T C 2.816 177.535 174.700 0.032 0.000 1.036 372 T CA 1.681 63.780 62.100 -0.002 0.000 1.148 372 T CB -0.419 68.426 68.868 -0.039 0.000 0.863 372 T HN 0.387 nan 8.240 nan 0.000 0.436 373 A N 1.181 124.005 122.820 0.005 0.000 1.902 373 A HA -0.016 4.304 4.320 -0.001 0.000 0.217 373 A C 1.987 179.749 177.584 0.298 0.000 1.181 373 A CA 1.247 53.343 52.037 0.100 0.000 0.623 373 A CB -0.927 18.120 19.000 0.078 0.000 0.818 373 A HN 0.391 nan 8.150 nan 0.000 0.443 374 F N 0.160 120.141 119.950 0.052 0.000 2.126 374 F HA -0.158 4.369 4.527 -0.001 0.000 0.299 374 F C 2.226 178.058 175.800 0.053 0.000 1.096 374 F CA 0.665 58.706 58.000 0.069 0.000 1.255 374 F CB -0.929 38.044 39.000 -0.046 0.000 0.997 374 F HN 0.144 nan 8.300 nan 0.000 0.479 375 I N -0.280 120.426 120.570 0.226 0.000 2.163 375 I HA -0.259 3.911 4.170 -0.001 0.000 0.240 375 I C 2.294 178.447 176.117 0.059 0.000 1.081 375 I CA 1.441 62.808 61.300 0.112 0.000 1.353 375 I CB -0.509 37.556 38.000 0.109 0.000 1.054 375 I HN 0.123 nan 8.210 nan 0.000 0.407 376 E N 0.899 121.133 120.200 0.057 0.000 2.150 376 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 376 E C 1.570 178.151 176.600 -0.032 0.000 0.985 376 E CA 0.957 57.362 56.400 0.008 0.000 0.814 376 E CB 0.011 29.712 29.700 0.002 0.000 0.752 376 E HN 0.500 nan 8.360 nan 0.000 0.466 377 K N 0.705 121.090 120.400 -0.024 0.000 2.372 377 K HA 0.089 4.409 4.320 -0.001 0.000 0.200 377 K C 1.773 178.218 176.600 -0.258 0.000 1.022 377 K CA -0.184 55.977 56.287 -0.211 0.000 1.125 377 K CB 0.332 32.611 32.500 -0.368 0.000 0.855 377 K HN 0.057 nan 8.250 nan 0.000 0.524 378 R N 0.896 121.388 120.500 -0.014 0.000 2.139 378 R HA -0.139 4.200 4.340 -0.001 0.000 0.243 378 R C 1.742 178.015 176.300 -0.044 0.000 1.145 378 R CA 2.106 58.226 56.100 0.035 0.000 0.976 378 R CB -0.674 29.578 30.300 -0.080 0.000 0.866 378 R HN 0.097 nan 8.270 nan 0.000 0.449 379 S N -0.218 115.427 115.700 -0.092 0.000 2.593 379 S HA 0.062 4.532 4.470 -0.001 0.000 0.217 379 S C 1.213 175.757 174.600 -0.095 0.000 0.966 379 S CA 0.107 58.270 58.200 -0.063 0.000 0.914 379 S CB 0.382 63.560 63.200 -0.036 0.000 0.776 379 S HN 0.520 nan 8.310 nan 0.000 0.523 380 E N 0.255 120.310 120.200 -0.241 0.000 2.250 380 E HA 0.193 4.543 4.350 -0.001 0.000 0.192 380 E C -0.533 175.916 176.600 -0.251 0.000 0.986 380 E CA 0.004 56.231 56.400 -0.288 0.000 0.849 380 E CB -0.015 29.430 29.700 -0.425 0.000 0.797 380 E HN 0.580 nan 8.360 nan 0.000 0.482 381 F N 0.830 120.745 119.950 -0.058 0.000 2.529 381 F HA 0.088 4.615 4.527 -0.001 0.000 0.365 381 F C 1.682 177.554 175.800 0.120 0.000 1.102 381 F CA 0.286 58.281 58.000 -0.009 0.000 1.271 381 F CB 0.630 39.558 39.000 -0.120 0.000 1.120 381 F HN -0.085 nan 8.300 nan 0.000 0.579 382 K N 1.125 121.691 120.400 0.277 0.000 2.276 382 K HA 0.225 4.544 4.320 -0.001 0.000 0.198 382 K C 0.675 177.297 176.600 0.037 0.000 1.052 382 K CA 1.269 57.642 56.287 0.143 0.000 0.984 382 K CB -0.168 32.369 32.500 0.062 0.000 0.836 382 K HN 0.738 nan 8.250 nan 0.000 0.490 383 T N -3.962 110.629 114.554 0.062 0.000 2.841 383 T HA 0.481 4.831 4.350 -0.001 0.000 0.296 383 T C 0.749 175.455 174.700 0.010 0.000 1.166 383 T CA -0.101 61.906 62.100 -0.156 0.000 1.007 383 T CB 1.236 70.063 68.868 -0.068 0.000 1.253 383 T HN 0.021 nan 8.240 nan 0.000 0.511 384 I N 1.279 121.768 120.570 -0.136 0.000 2.286 384 I HA -0.062 4.108 4.170 -0.001 0.000 0.248 384 I C 2.390 178.522 176.117 0.025 0.000 1.115 384 I CA 1.993 63.310 61.300 0.027 0.000 1.392 384 I CB -0.772 37.265 38.000 0.063 0.000 1.065 384 I HN 0.919 nan 8.210 nan 0.000 0.418 385 T N 0.508 115.080 114.554 0.029 0.000 2.699 385 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 385 T C 1.600 176.321 174.700 0.035 0.000 1.036 385 T CA 1.779 63.896 62.100 0.029 0.000 1.147 385 T CB -0.430 68.454 68.868 0.027 0.000 0.862 385 T HN 0.400 nan 8.240 nan 0.000 0.446 386 D N 0.664 121.105 120.400 0.070 0.000 2.123 386 D HA -0.067 4.573 4.640 -0.001 0.000 0.196 386 D C 2.277 178.633 176.300 0.092 0.000 0.992 386 D CA 0.731 54.820 54.000 0.149 0.000 0.833 386 D CB -0.430 40.548 40.800 0.295 0.000 0.954 386 D HN 0.238 nan 8.370 nan 0.000 0.455 387 V N 1.328 121.122 119.914 -0.201 0.000 2.270 387 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 387 V C 2.595 178.607 176.094 -0.138 0.000 1.043 387 V CA 1.103 63.029 62.300 -0.623 0.000 1.014 387 V CB -0.401 30.907 31.823 -0.858 0.000 0.645 387 V HN 0.154 nan 8.190 nan 0.000 0.447 388 I N -0.187 120.394 120.570 0.019 0.000 2.151 388 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 388 I C 2.685 178.815 176.117 0.020 0.000 1.080 388 I CA 1.508 62.873 61.300 0.108 0.000 1.339 388 I CB -0.456 37.567 38.000 0.039 0.000 1.039 388 I HN 0.311 nan 8.210 nan 0.000 0.409 389 E N 0.409 120.616 120.200 0.011 0.000 2.106 389 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 389 E C 2.103 178.727 176.600 0.041 0.000 0.984 389 E CA 0.978 57.379 56.400 0.003 0.000 0.806 389 E CB -0.405 29.305 29.700 0.017 0.000 0.750 389 E HN 0.329 nan 8.360 nan 0.000 0.458 390 L N 0.261 121.549 121.223 0.108 0.000 2.046 390 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 390 L C 2.226 179.157 176.870 0.101 0.000 1.077 390 L CA 1.435 56.361 54.840 0.145 0.000 0.747 390 L CB -0.665 41.584 42.059 0.316 0.000 0.896 390 L HN 0.031 nan 8.230 nan 0.000 0.432 391 F N 0.437 120.367 119.950 -0.033 0.000 2.075 391 F HA -0.252 4.275 4.527 -0.001 0.000 0.297 391 F C 2.381 178.111 175.800 -0.117 0.000 1.113 391 F CA 2.010 59.925 58.000 -0.142 0.000 1.218 391 F CB -0.220 38.599 39.000 -0.301 0.000 0.984 391 F HN 0.011 nan 8.300 nan 0.000 0.472 392 K N -0.061 120.380 120.400 0.068 0.000 2.074 392 K HA -0.237 4.083 4.320 -0.001 0.000 0.209 392 K C 1.945 178.502 176.600 -0.072 0.000 1.048 392 K CA 1.826 58.094 56.287 -0.032 0.000 0.926 392 K CB -0.641 31.772 32.500 -0.144 0.000 0.713 392 K HN 0.300 nan 8.250 nan 0.000 0.444 393 L N 0.847 122.027 121.223 -0.071 0.000 2.017 393 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 393 L C 1.895 178.690 176.870 -0.125 0.000 1.073 393 L CA 1.511 56.306 54.840 -0.075 0.000 0.745 393 L CB -0.343 41.688 42.059 -0.046 0.000 0.894 393 L HN 0.038 nan 8.230 nan 0.000 0.432 394 L N -0.719 120.392 121.223 -0.187 0.000 2.131 394 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 394 L C 2.266 178.956 176.870 -0.299 0.000 1.092 394 L CA 1.787 56.474 54.840 -0.255 0.000 0.759 394 L CB -0.832 41.024 42.059 -0.338 0.000 0.903 394 L HN 0.426 nan 8.230 nan 0.000 0.435 395 V N -4.964 114.746 119.914 -0.340 0.000 3.596 395 V HA 0.135 4.254 4.120 -0.001 0.000 0.289 395 V C 1.331 177.336 176.094 -0.149 0.000 1.336 395 V CA -0.468 61.649 62.300 -0.306 0.000 1.137 395 V CB -0.759 30.819 31.823 -0.409 0.000 0.966 395 V HN 0.129 nan 8.190 nan 0.000 0.428 396 K N 0.000 120.331 120.400 -0.115 0.000 2.780 396 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 396 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 396 K CB 0.000 32.465 32.500 -0.059 0.000 1.064 396 K HN 0.000 nan 8.250 nan 0.000 0.543