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 2olc_1_B DATA FIRST_RESID 7 DATA SEQUENCE PLYETLNESS AVALAVKLGL FPSXXTLTCQ EIGDGNLNYV FHIYXXXXXR DATA SEQUENCE ALIIKQAVPY AXXXXXXXPL 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 0.000 177.343 177.300 0.071 0.000 1.155 7 P CA 0.000 63.136 63.100 0.059 0.000 0.800 7 P CB 0.000 31.742 31.700 0.069 0.000 0.726 8 L N 0.781 122.053 121.223 0.082 0.000 2.291 8 L HA 0.136 4.475 4.340 -0.000 0.000 0.214 8 L C 1.047 177.979 176.870 0.102 0.000 1.120 8 L CA 1.095 55.982 54.840 0.079 0.000 0.799 8 L CB -1.424 40.681 42.059 0.076 0.000 0.925 8 L HN 0.650 nan 8.230 nan 0.000 0.446 9 Y N 1.838 122.157 120.300 0.032 0.000 2.496 9 Y HA 0.456 5.005 4.550 -0.000 0.000 0.334 9 Y C 0.354 176.282 175.900 0.045 0.000 1.080 9 Y CA 0.227 58.352 58.100 0.041 0.000 1.355 9 Y CB -0.166 38.315 38.460 0.036 0.000 1.193 9 Y HN 0.480 nan 8.280 nan 0.000 0.523 10 E N 3.407 123.200 120.200 -0.677 0.000 2.275 10 E HA 0.413 4.763 4.350 -0.000 0.000 0.270 10 E C -0.621 175.557 176.600 -0.704 0.000 0.882 10 E CA -0.841 55.228 56.400 -0.552 0.000 0.758 10 E CB 1.087 30.656 29.700 -0.218 0.000 1.195 10 E HN 0.610 nan 8.360 nan 0.000 0.419 11 T N 2.969 117.242 114.554 -0.470 0.000 2.902 11 T HA 0.312 4.662 4.350 -0.000 0.000 0.301 11 T C 0.730 175.426 174.700 -0.006 0.000 1.012 11 T CA 0.039 62.070 62.100 -0.114 0.000 1.151 11 T CB -0.300 68.665 68.868 0.161 0.000 0.946 11 T HN 0.437 nan 8.240 nan 0.000 0.542 12 L N 3.653 124.931 121.223 0.092 0.000 2.456 12 L HA 0.422 4.762 4.340 -0.000 0.000 0.257 12 L C 0.792 177.656 176.870 -0.009 0.000 1.162 12 L CA -0.793 54.027 54.840 -0.033 0.000 0.808 12 L CB 0.487 42.442 42.059 -0.173 0.000 1.136 12 L HN 0.768 nan 8.230 nan 0.000 0.466 13 N N -1.125 117.452 118.700 -0.204 0.000 2.966 13 N HA 0.235 4.974 4.740 -0.000 0.000 0.314 13 N C 0.050 175.328 175.510 -0.387 0.000 1.397 13 N CA -0.852 52.106 53.050 -0.155 0.000 0.776 13 N CB 0.528 38.980 38.487 -0.058 0.000 1.576 13 N HN 0.366 nan 8.380 nan 0.000 0.592 14 E N -0.388 119.735 120.200 -0.128 0.000 2.160 14 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 14 E C 1.172 177.680 176.600 -0.154 0.000 0.991 14 E CA 1.836 58.171 56.400 -0.109 0.000 0.810 14 E CB -0.111 29.615 29.700 0.043 0.000 0.742 14 E HN 0.549 nan 8.360 nan 0.000 0.466 15 S N 0.064 115.687 115.700 -0.127 0.000 2.335 15 S HA -0.147 4.323 4.470 -0.000 0.000 0.217 15 S C 2.123 176.642 174.600 -0.135 0.000 1.032 15 S CA 1.202 59.338 58.200 -0.106 0.000 0.985 15 S CB -0.393 62.763 63.200 -0.073 0.000 0.896 15 S HN 0.428 nan 8.310 nan 0.000 0.445 16 S N 2.430 118.034 115.700 -0.160 0.000 2.423 16 S HA 0.092 4.562 4.470 -0.000 0.000 0.231 16 S C 1.973 176.454 174.600 -0.198 0.000 1.014 16 S CA 0.761 58.869 58.200 -0.154 0.000 0.965 16 S CB -0.527 62.591 63.200 -0.136 0.000 0.785 16 S HN 0.483 nan 8.310 nan 0.000 0.495 17 A N 1.760 124.380 122.820 -0.333 0.000 1.877 17 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 17 A C 2.409 179.899 177.584 -0.157 0.000 1.186 17 A CA 1.673 53.498 52.037 -0.353 0.000 0.620 17 A CB -1.184 17.377 19.000 -0.731 0.000 0.822 17 A HN 0.437 nan 8.150 nan 0.000 0.443 18 V N -0.139 119.692 119.914 -0.138 0.000 2.343 18 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 18 V C 3.061 179.122 176.094 -0.056 0.000 1.051 18 V CA 2.013 64.263 62.300 -0.082 0.000 1.036 18 V CB -1.193 30.571 31.823 -0.098 0.000 0.654 18 V HN 0.626 nan 8.190 nan 0.000 0.451 19 A N -0.293 122.482 122.820 -0.074 0.000 1.902 19 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 19 A C 2.151 179.702 177.584 -0.056 0.000 1.181 19 A CA 2.018 54.019 52.037 -0.060 0.000 0.623 19 A CB -0.573 18.388 19.000 -0.065 0.000 0.818 19 A HN 0.451 nan 8.150 nan 0.000 0.443 20 L N -0.040 121.143 121.223 -0.067 0.000 2.012 20 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 20 L C 2.667 179.496 176.870 -0.069 0.000 1.073 20 L CA 2.340 57.138 54.840 -0.071 0.000 0.748 20 L CB -0.999 41.026 42.059 -0.056 0.000 0.891 20 L HN 0.347 nan 8.230 nan 0.000 0.431 21 A N -1.129 121.686 122.820 -0.008 0.000 1.908 21 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 21 A C 2.289 179.902 177.584 0.049 0.000 1.181 21 A CA 2.249 54.319 52.037 0.056 0.000 0.627 21 A CB -1.185 17.956 19.000 0.234 0.000 0.818 21 A HN 0.338 nan 8.150 nan 0.000 0.445 22 V N 0.142 120.091 119.914 0.059 0.000 2.358 22 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 22 V C 3.177 179.254 176.094 -0.029 0.000 1.047 22 V CA 2.559 64.880 62.300 0.036 0.000 1.035 22 V CB -1.095 30.740 31.823 0.020 0.000 0.658 22 V HN 0.735 nan 8.190 nan 0.000 0.452 23 K N 0.006 120.373 120.400 -0.055 0.000 2.152 23 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 23 K C 1.846 178.375 176.600 -0.119 0.000 1.048 23 K CA 1.833 58.072 56.287 -0.080 0.000 0.933 23 K CB -0.895 31.554 32.500 -0.085 0.000 0.721 23 K HN 0.581 nan 8.250 nan 0.000 0.447 24 L N -0.887 120.240 121.223 -0.161 0.000 2.552 24 L HA 0.184 4.524 4.340 -0.000 0.000 0.227 24 L C 1.833 178.616 176.870 -0.145 0.000 1.146 24 L CA 0.553 55.269 54.840 -0.207 0.000 0.858 24 L CB -0.081 41.799 42.059 -0.298 0.000 0.969 24 L HN 0.599 nan 8.230 nan 0.000 0.451 25 G N -0.587 108.145 108.800 -0.113 0.000 2.148 25 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.254 25 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.254 25 G C 0.856 175.657 174.900 -0.165 0.000 0.981 25 G CA 0.574 45.612 45.100 -0.103 0.000 0.670 25 G HN 0.307 nan 8.290 nan 0.000 0.528 26 L N -1.966 119.114 121.223 -0.240 0.000 2.395 26 L HA 0.762 5.101 4.340 -0.000 0.000 0.218 26 L C 1.044 177.467 176.870 -0.745 0.000 1.130 26 L CA 1.686 56.234 54.840 -0.487 0.000 0.826 26 L CB -0.612 41.122 42.059 -0.542 0.000 0.941 26 L HN 0.384 nan 8.230 nan 0.000 0.451 27 F N -2.537 117.337 119.950 -0.127 0.000 2.588 27 F HA 0.581 5.108 4.527 -0.001 0.000 0.310 27 F C -1.334 174.409 175.800 -0.095 0.000 1.082 27 F CA -1.748 56.182 58.000 -0.117 0.000 0.929 27 F CB 1.393 40.323 39.000 -0.116 0.000 1.254 27 F HN -0.233 nan 8.300 nan 0.000 0.455 28 P HA -0.125 nan 4.420 nan 0.000 0.214 28 P C 0.032 177.346 177.300 0.022 0.000 1.172 28 P CA 2.262 65.386 63.100 0.040 0.000 0.925 28 P CB 0.084 31.800 31.700 0.026 0.000 0.793 33 L N 2.522 123.633 121.223 -0.186 0.000 2.333 33 L HA 0.827 5.167 4.340 -0.000 0.000 0.269 33 L C 0.273 177.070 176.870 -0.121 0.000 1.010 33 L CA -1.032 53.659 54.840 -0.250 0.000 0.818 33 L CB 2.100 43.911 42.059 -0.414 0.000 1.306 33 L HN 0.276 nan 8.230 nan 0.000 0.430 34 T N -1.865 112.651 114.554 -0.063 0.000 2.863 34 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 34 T C -0.868 173.852 174.700 0.033 0.000 1.009 34 T CA -0.714 61.392 62.100 0.010 0.000 0.989 34 T CB 1.721 70.630 68.868 0.069 0.000 1.004 34 T HN 0.653 nan 8.240 nan 0.000 0.455 35 C N 2.583 121.914 119.300 0.051 0.000 2.441 35 C HA 0.929 5.389 4.460 -0.000 0.000 0.318 35 C C -0.159 174.918 174.990 0.145 0.000 1.222 35 C CA 0.307 59.386 59.018 0.102 0.000 1.474 35 C CB 0.207 27.985 27.740 0.062 0.000 2.125 35 C HN 1.365 nan 8.230 nan 0.000 0.479 36 Q N 3.449 123.372 119.800 0.205 0.000 2.337 36 Q HA 0.609 4.949 4.340 -0.000 0.000 0.270 36 Q C -0.633 175.482 176.000 0.191 0.000 1.043 36 Q CA -0.408 55.497 55.803 0.170 0.000 0.794 36 Q CB 1.613 30.425 28.738 0.123 0.000 1.281 36 Q HN 0.853 nan 8.270 nan 0.000 0.446 37 E N 2.059 122.327 120.200 0.113 0.000 2.180 37 E HA 0.284 4.634 4.350 -0.000 0.000 0.283 37 E C 0.060 176.637 176.600 -0.038 0.000 1.061 37 E CA -0.131 56.226 56.400 -0.072 0.000 0.861 37 E CB 0.540 30.096 29.700 -0.240 0.000 1.056 37 E HN 0.785 nan 8.360 nan 0.000 0.407 38 I N 1.493 122.051 120.570 -0.019 0.000 4.147 38 I HA 0.419 4.589 4.170 -0.000 0.000 0.329 38 I C 0.870 177.005 176.117 0.030 0.000 1.424 38 I CA -0.735 60.578 61.300 0.023 0.000 1.127 38 I CB 0.669 38.700 38.000 0.052 0.000 1.128 38 I HN 0.310 nan 8.210 nan 0.000 0.417 39 G N 2.320 111.129 108.800 0.015 0.000 2.491 39 G HA2 0.134 4.094 3.960 -0.000 0.000 0.238 39 G HA3 0.134 4.094 3.960 -0.000 0.000 0.238 39 G C 0.239 175.169 174.900 0.049 0.000 1.277 39 G CA 0.425 45.551 45.100 0.043 0.000 0.851 39 G HN 0.579 nan 8.290 nan 0.000 0.573 40 D N 0.216 120.644 120.400 0.047 0.000 2.433 40 D HA 0.181 4.821 4.640 -0.000 0.000 0.211 40 D C 1.066 177.392 176.300 0.043 0.000 1.114 40 D CA 0.134 54.159 54.000 0.042 0.000 0.837 40 D CB 0.164 40.983 40.800 0.032 0.000 0.984 40 D HN 0.524 nan 8.370 nan 0.000 0.505 41 G N -1.446 107.380 108.800 0.045 0.000 2.521 41 G HA2 0.442 4.401 3.960 -0.000 0.000 0.323 41 G HA3 0.442 4.401 3.960 -0.000 0.000 0.323 41 G C 0.537 175.449 174.900 0.021 0.000 1.211 41 G CA -0.282 44.840 45.100 0.038 0.000 0.979 41 G HN 0.218 nan 8.290 nan 0.000 0.490 42 N N -0.993 117.711 118.700 0.007 0.000 2.203 42 N HA 0.325 5.065 4.740 -0.000 0.000 0.207 42 N C 1.183 176.653 175.510 -0.066 0.000 1.130 42 N CA 0.055 53.097 53.050 -0.013 0.000 0.861 42 N CB 0.038 38.529 38.487 0.007 0.000 1.005 42 N HN 0.353 nan 8.380 nan 0.000 0.507 43 L N -0.948 120.230 121.223 -0.076 0.000 3.135 43 L HA 0.393 4.732 4.340 -0.000 0.000 0.279 43 L C -0.694 176.091 176.870 -0.140 0.000 1.200 43 L CA 0.003 54.781 54.840 -0.104 0.000 1.016 43 L CB 0.519 42.545 42.059 -0.056 0.000 1.391 43 L HN 0.208 nan 8.230 nan 0.000 0.588 44 N N -0.781 117.820 118.700 -0.166 0.000 2.308 44 N HA 0.348 5.088 4.740 -0.000 0.000 0.283 44 N C -1.555 173.839 175.510 -0.194 0.000 1.105 44 N CA -0.424 52.539 53.050 -0.144 0.000 0.840 44 N CB 2.162 40.638 38.487 -0.017 0.000 1.633 44 N HN -0.104 nan 8.380 nan 0.000 0.476 45 Y N 0.069 120.351 120.300 -0.030 0.000 2.352 45 Y HA 0.498 5.047 4.550 -0.001 0.000 0.326 45 Y C 0.322 176.061 175.900 -0.268 0.000 1.166 45 Y CA -0.891 57.059 58.100 -0.249 0.000 1.182 45 Y CB 1.661 39.858 38.460 -0.439 0.000 1.216 45 Y HN 0.067 nan 8.280 nan 0.000 0.474 46 V N 4.264 124.068 119.914 -0.183 0.000 2.409 46 V HA 0.280 4.399 4.120 -0.000 0.000 0.290 46 V C -0.989 174.999 176.094 -0.177 0.000 1.017 46 V CA -0.989 61.272 62.300 -0.064 0.000 0.841 46 V CB 0.585 32.447 31.823 0.066 0.000 1.003 46 V HN 0.496 nan 8.190 nan 0.000 0.426 47 F N 3.530 123.595 119.950 0.192 0.000 2.404 47 F HA 0.446 4.973 4.527 -0.000 0.000 0.354 47 F C 0.548 176.466 175.800 0.196 0.000 1.122 47 F CA -0.382 57.715 58.000 0.163 0.000 1.080 47 F CB 0.813 39.886 39.000 0.121 0.000 1.131 47 F HN 0.494 nan 8.300 nan 0.000 0.471 48 H N 5.114 124.340 119.070 0.260 0.000 2.517 48 H HA 0.550 5.106 4.556 -0.000 0.000 0.317 48 H C -1.018 174.434 175.328 0.207 0.000 1.080 48 H CA -0.361 55.815 56.048 0.215 0.000 1.301 48 H CB 0.955 30.811 29.762 0.158 0.000 1.425 48 H HN 0.608 nan 8.280 nan 0.000 0.471 49 I N 6.520 126.942 120.570 -0.248 0.000 2.447 49 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 49 I C -1.070 174.922 176.117 -0.208 0.000 1.023 49 I CA -0.688 60.532 61.300 -0.133 0.000 1.083 49 I CB 1.444 39.438 38.000 -0.010 0.000 1.245 49 I HN 0.499 nan 8.210 nan 0.000 0.434 57 A N 1.401 124.317 122.820 0.160 0.000 2.530 57 A HA 1.022 5.342 4.320 -0.000 0.000 0.288 57 A C -1.208 176.478 177.584 0.170 0.000 1.172 57 A CA -0.762 51.400 52.037 0.209 0.000 0.733 57 A CB 1.705 20.859 19.000 0.257 0.000 1.320 57 A HN 1.041 nan 8.150 nan 0.000 0.419 58 L N 0.395 121.698 121.223 0.133 0.000 2.469 58 L HA 0.518 4.858 4.340 -0.000 0.000 0.256 58 L C -1.523 175.432 176.870 0.142 0.000 1.006 58 L CA -0.712 54.215 54.840 0.144 0.000 0.832 58 L CB 2.081 44.242 42.059 0.170 0.000 1.421 58 L HN 0.547 nan 8.230 nan 0.000 0.410 59 I N 2.960 123.664 120.570 0.224 0.000 2.509 59 I HA 0.470 4.639 4.170 -0.000 0.000 0.293 59 I C -0.413 175.869 176.117 0.274 0.000 1.020 59 I CA -0.392 61.062 61.300 0.256 0.000 1.088 59 I CB 2.095 40.251 38.000 0.259 0.000 1.267 59 I HN 0.398 nan 8.210 nan 0.000 0.430 60 I N 5.561 126.320 120.570 0.316 0.000 2.410 60 I HA 0.328 4.497 4.170 -0.000 0.000 0.286 60 I C -0.114 176.238 176.117 0.391 0.000 1.009 60 I CA -0.718 60.786 61.300 0.341 0.000 1.111 60 I CB 1.932 40.128 38.000 0.326 0.000 1.262 60 I HN 0.451 nan 8.210 nan 0.000 0.443 61 K N 6.610 127.190 120.400 0.300 0.000 2.159 61 K HA 0.465 4.785 4.320 -0.000 0.000 0.266 61 K C -0.953 175.808 176.600 0.269 0.000 0.975 61 K CA -0.479 55.960 56.287 0.254 0.000 0.865 61 K CB 1.722 34.331 32.500 0.183 0.000 1.087 61 K HN 0.600 nan 8.250 nan 0.000 0.446 62 Q N 2.904 122.873 119.800 0.281 0.000 2.305 62 Q HA 0.450 4.789 4.340 -0.000 0.000 0.271 62 Q C -1.498 174.608 176.000 0.177 0.000 1.046 62 Q CA -0.813 55.160 55.803 0.283 0.000 0.798 62 Q CB 1.996 30.984 28.738 0.417 0.000 1.286 62 Q HN 0.818 nan 8.270 nan 0.000 0.435 63 A N 2.509 125.410 122.820 0.135 0.000 2.440 63 A HA 0.468 4.788 4.320 -0.000 0.000 0.251 63 A C -0.070 177.541 177.584 0.046 0.000 1.089 63 A CA -0.297 51.759 52.037 0.032 0.000 0.779 63 A CB 0.207 19.195 19.000 -0.020 0.000 1.022 63 A HN 0.590 nan 8.150 nan 0.000 0.492 64 V N 0.890 120.766 119.914 -0.063 0.000 2.547 64 V HA 0.571 4.691 4.120 -0.000 0.000 0.299 64 V C -1.782 174.261 176.094 -0.085 0.000 1.040 64 V CA -1.640 60.637 62.300 -0.039 0.000 0.913 64 V CB 1.432 33.144 31.823 -0.184 0.000 0.992 64 V HN 0.720 nan 8.190 nan 0.000 0.449 65 P HA 0.022 nan 4.420 nan 0.000 0.221 65 P C 0.544 177.812 177.300 -0.053 0.000 1.150 65 P CA 2.289 65.327 63.100 -0.103 0.000 0.800 65 P CB -0.294 31.348 31.700 -0.097 0.000 0.787 66 Y N -1.690 118.596 120.300 -0.024 0.000 2.959 66 Y HA 0.176 4.726 4.550 -0.000 0.000 0.103 66 Y C 0.160 176.066 175.900 0.011 0.000 2.060 66 Y CA -0.922 57.173 58.100 -0.008 0.000 1.016 66 Y CB -2.334 36.115 38.460 -0.019 0.000 1.656 66 Y HN 0.661 nan 8.280 nan 0.000 0.329 76 L N 0.117 121.306 121.223 -0.056 0.000 2.543 76 L HA 0.455 4.795 4.340 -0.000 0.000 0.265 76 L C 0.081 176.895 176.870 -0.094 0.000 0.945 76 L CA 0.112 54.907 54.840 -0.074 0.000 0.869 76 L CB 2.086 44.098 42.059 -0.080 0.000 1.294 76 L HN 0.762 nan 8.230 nan 0.000 0.405 77 T N 3.820 118.316 114.554 -0.097 0.000 2.939 77 T HA 0.051 4.401 4.350 -0.000 0.000 0.312 77 T C 1.721 176.342 174.700 -0.131 0.000 1.064 77 T CA 0.743 62.777 62.100 -0.110 0.000 1.136 77 T CB 0.024 68.836 68.868 -0.095 0.000 1.035 77 T HN 0.553 nan 8.240 nan 0.000 0.538 78 I N 1.503 121.970 120.570 -0.171 0.000 3.444 78 I HA 0.167 4.336 4.170 -0.000 0.000 0.287 78 I C 1.670 177.713 176.117 -0.123 0.000 1.302 78 I CA 0.683 61.871 61.300 -0.187 0.000 1.368 78 I CB -0.339 37.447 38.000 -0.357 0.000 1.048 78 I HN 0.526 nan 8.210 nan 0.000 0.487 79 D N 2.574 122.911 120.400 -0.106 0.000 2.310 79 D HA -0.196 4.444 4.640 -0.000 0.000 0.212 79 D C 2.367 178.629 176.300 -0.063 0.000 0.965 79 D CA 0.996 54.949 54.000 -0.078 0.000 0.879 79 D CB 0.037 40.793 40.800 -0.073 0.000 0.921 79 D HN 0.516 nan 8.370 nan 0.000 0.510 80 R N 0.003 120.460 120.500 -0.073 0.000 2.193 80 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 80 R C 2.028 178.313 176.300 -0.024 0.000 1.110 80 R CA 1.148 57.211 56.100 -0.062 0.000 0.988 80 R CB -0.456 29.779 30.300 -0.108 0.000 0.871 80 R HN 0.106 nan 8.270 nan 0.000 0.458 81 A N 1.997 124.804 122.820 -0.020 0.000 1.969 81 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 81 A C 2.282 179.871 177.584 0.008 0.000 1.169 81 A CA 1.064 53.107 52.037 0.011 0.000 0.635 81 A CB -0.504 18.513 19.000 0.029 0.000 0.810 81 A HN 0.383 nan 8.150 nan 0.000 0.445 82 R N -0.286 120.205 120.500 -0.015 0.000 2.066 82 R HA -0.077 4.262 4.340 -0.000 0.000 0.232 82 R C 1.876 178.166 176.300 -0.017 0.000 1.131 82 R CA 1.718 57.799 56.100 -0.032 0.000 0.955 82 R CB -0.386 29.878 30.300 -0.061 0.000 0.851 82 R HN 0.497 nan 8.270 nan 0.000 0.432 83 I N 0.928 121.502 120.570 0.006 0.000 2.179 83 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 83 I C 2.608 178.827 176.117 0.171 0.000 1.088 83 I CA 1.655 63.017 61.300 0.102 0.000 1.357 83 I CB -0.335 37.746 38.000 0.135 0.000 1.051 83 I HN 0.367 nan 8.210 nan 0.000 0.409 84 E N 0.611 120.869 120.200 0.096 0.000 2.051 84 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 84 E C 2.259 178.914 176.600 0.093 0.000 0.991 84 E CA 1.825 58.277 56.400 0.087 0.000 0.799 84 E CB 0.064 29.799 29.700 0.059 0.000 0.748 84 E HN 0.407 nan 8.360 nan 0.000 0.449 85 S N 0.343 116.085 115.700 0.070 0.000 2.353 85 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 85 S C 2.182 176.832 174.600 0.084 0.000 1.035 85 S CA 1.343 59.575 58.200 0.053 0.000 1.025 85 S CB -0.306 62.901 63.200 0.011 0.000 0.902 85 S HN 0.221 nan 8.310 nan 0.000 0.440 86 S N 1.612 117.382 115.700 0.117 0.000 2.368 86 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 86 S C 2.267 177.076 174.600 0.350 0.000 1.030 86 S CA 0.971 59.292 58.200 0.202 0.000 0.999 86 S CB -0.545 62.717 63.200 0.103 0.000 0.844 86 S HN 0.605 nan 8.310 nan 0.000 0.459 87 A N 1.351 124.386 122.820 0.359 0.000 1.902 87 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 87 A C 2.124 179.776 177.584 0.113 0.000 1.181 87 A CA 1.134 53.280 52.037 0.181 0.000 0.623 87 A CB -0.715 18.352 19.000 0.111 0.000 0.818 87 A HN 0.445 nan 8.150 nan 0.000 0.443 88 L N -0.586 120.703 121.223 0.111 0.000 2.046 88 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 88 L C 2.479 179.391 176.870 0.070 0.000 1.077 88 L CA 1.187 56.081 54.840 0.091 0.000 0.747 88 L CB -0.441 41.659 42.059 0.068 0.000 0.896 88 L HN 0.394 nan 8.230 nan 0.000 0.432 89 I N -0.890 119.719 120.570 0.065 0.000 2.202 89 I HA -0.285 3.884 4.170 -0.000 0.000 0.242 89 I C 2.796 178.944 176.117 0.051 0.000 1.091 89 I CA 1.142 62.467 61.300 0.041 0.000 1.368 89 I CB -0.342 37.680 38.000 0.037 0.000 1.058 89 I HN 0.191 nan 8.210 nan 0.000 0.410 90 R N 0.509 121.065 120.500 0.094 0.000 2.091 90 R HA -0.220 4.120 4.340 -0.000 0.000 0.238 90 R C 2.369 178.726 176.300 0.095 0.000 1.136 90 R CA 1.728 57.886 56.100 0.096 0.000 0.959 90 R CB -0.255 30.105 30.300 0.100 0.000 0.856 90 R HN 0.469 nan 8.270 nan 0.000 0.437 91 Q N -1.134 118.714 119.800 0.079 0.000 2.084 91 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 91 Q C 2.088 178.139 176.000 0.085 0.000 0.978 91 Q CA 1.508 57.363 55.803 0.086 0.000 0.844 91 Q CB -0.244 28.591 28.738 0.162 0.000 0.898 91 Q HN 0.475 nan 8.270 nan 0.000 0.426 92 G N 0.437 109.270 108.800 0.055 0.000 2.479 92 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 92 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 92 G C 1.038 175.912 174.900 -0.044 0.000 1.115 92 G CA 0.736 45.844 45.100 0.013 0.000 0.757 92 G HN 0.304 nan 8.290 nan 0.000 0.560 93 E N -0.669 119.465 120.200 -0.111 0.000 2.204 93 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 93 E C 1.972 178.279 176.600 -0.488 0.000 0.989 93 E CA 0.987 57.197 56.400 -0.318 0.000 0.824 93 E CB 0.051 29.487 29.700 -0.440 0.000 0.756 93 E HN 0.729 nan 8.360 nan 0.000 0.477 94 H N -2.363 116.666 119.070 -0.070 0.000 2.594 94 H HA 0.152 4.708 4.556 -0.000 0.000 0.274 94 H C 0.165 175.485 175.328 -0.013 0.000 0.982 94 H CA 0.600 56.580 56.048 -0.113 0.000 1.228 94 H CB 1.042 30.695 29.762 -0.182 0.000 1.447 94 H HN 0.003 nan 8.280 nan 0.000 0.485 95 V N -0.184 119.799 119.914 0.115 0.000 2.361 95 V HA 0.295 4.415 4.120 -0.000 0.000 0.252 95 V C -2.259 173.864 176.094 0.048 0.000 0.986 95 V CA -1.515 60.839 62.300 0.089 0.000 1.033 95 V CB 1.279 33.111 31.823 0.014 0.000 1.282 95 V HN 0.057 nan 8.190 nan 0.000 0.514 96 P HA -0.165 nan 4.420 nan 0.000 0.220 96 P C 1.279 178.633 177.300 0.091 0.000 1.148 96 P CA 1.758 64.908 63.100 0.083 0.000 0.803 96 P CB -0.066 31.675 31.700 0.069 0.000 0.782 97 H N -0.820 118.249 119.070 -0.002 0.000 2.555 97 H HA 0.151 4.707 4.556 -0.000 0.000 0.269 97 H C 1.324 176.635 175.328 -0.029 0.000 0.988 97 H CA 0.377 56.411 56.048 -0.024 0.000 1.178 97 H CB -0.839 28.892 29.762 -0.051 0.000 1.373 97 H HN 0.201 nan 8.280 nan 0.000 0.588 98 L N 1.303 122.321 121.223 -0.342 0.000 2.906 98 L HA 0.257 4.596 4.340 -0.000 0.000 0.255 98 L C -0.067 176.756 176.870 -0.079 0.000 1.166 98 L CA -0.359 54.332 54.840 -0.250 0.000 0.977 98 L CB 1.051 42.943 42.059 -0.277 0.000 1.313 98 L HN 0.074 nan 8.230 nan 0.000 0.549 99 V N -3.855 116.049 119.914 -0.018 0.000 3.007 99 V HA 0.657 4.777 4.120 -0.000 0.000 0.311 99 V C -2.768 173.331 176.094 0.009 0.000 1.120 99 V CA -2.264 60.052 62.300 0.027 0.000 0.980 99 V CB 1.832 33.720 31.823 0.107 0.000 1.033 99 V HN -0.134 nan 8.190 nan 0.000 0.429 100 P HA 0.250 nan 4.420 nan 0.000 0.268 100 P C -0.403 176.853 177.300 -0.073 0.000 1.204 100 P CA -0.067 63.027 63.100 -0.010 0.000 0.768 100 P CB 0.491 32.203 31.700 0.021 0.000 0.842 101 R N 1.258 121.666 120.500 -0.154 0.000 2.679 101 R HA 0.272 4.612 4.340 -0.000 0.000 0.268 101 R C -0.165 175.804 176.300 -0.551 0.000 1.044 101 R CA -0.347 55.544 56.100 -0.349 0.000 1.105 101 R CB 0.206 30.221 30.300 -0.474 0.000 0.989 101 R HN 0.302 nan 8.270 nan 0.000 0.447 102 V N 4.170 123.794 119.914 -0.483 0.000 2.435 102 V HA 0.192 4.312 4.120 -0.000 0.000 0.290 102 V C 0.115 175.950 176.094 -0.432 0.000 1.030 102 V CA -0.227 61.856 62.300 -0.360 0.000 0.881 102 V CB 1.342 33.093 31.823 -0.119 0.000 0.983 102 V HN 0.708 nan 8.190 nan 0.000 0.445 103 F N 3.218 123.216 119.950 0.079 0.000 2.622 103 F HA 0.366 4.893 4.527 -0.000 0.000 0.288 103 F C 0.343 176.244 175.800 0.168 0.000 1.120 103 F CA -0.023 58.028 58.000 0.085 0.000 1.423 103 F CB 0.449 39.477 39.000 0.047 0.000 1.127 103 F HN 0.464 nan 8.300 nan 0.000 0.588 104 Y N 0.032 120.429 120.300 0.161 0.000 2.565 104 Y HA 0.473 5.023 4.550 -0.000 0.000 0.330 104 Y C -1.175 174.778 175.900 0.089 0.000 1.150 104 Y CA -1.429 56.736 58.100 0.109 0.000 1.055 104 Y CB 1.337 39.863 38.460 0.109 0.000 1.337 104 Y HN -0.124 nan 8.280 nan 0.000 0.457 105 S N 3.134 118.428 115.700 -0.677 0.000 2.541 105 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 105 S C -2.040 172.121 174.600 -0.731 0.000 1.133 105 S CA -0.779 57.120 58.200 -0.502 0.000 0.876 105 S CB 2.364 65.447 63.200 -0.196 0.000 1.105 105 S HN 0.666 nan 8.310 nan 0.000 0.470 106 D N 0.257 120.445 120.400 -0.352 0.000 2.763 106 D HA 0.464 5.104 4.640 -0.000 0.000 0.235 106 D C 0.697 176.976 176.300 -0.035 0.000 1.334 106 D CA -0.372 53.519 54.000 -0.182 0.000 0.950 106 D CB 1.855 42.642 40.800 -0.021 0.000 1.433 106 D HN 0.405 nan 8.370 nan 0.000 0.580 107 T N 1.959 116.494 114.554 -0.033 0.000 2.777 107 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 107 T C 1.930 176.652 174.700 0.037 0.000 1.040 107 T CA 2.048 64.143 62.100 -0.007 0.000 1.141 107 T CB -0.239 68.611 68.868 -0.029 0.000 0.868 107 T HN 0.593 nan 8.240 nan 0.000 0.444 108 E N 1.759 121.993 120.200 0.057 0.000 2.058 108 E HA -0.088 4.261 4.350 -0.000 0.000 0.194 108 E C 1.994 178.719 176.600 0.207 0.000 0.997 108 E CA 1.389 57.850 56.400 0.102 0.000 0.801 108 E CB -0.756 28.996 29.700 0.088 0.000 0.746 108 E HN 0.327 nan 8.360 nan 0.000 0.450 109 M N -1.227 118.495 119.600 0.203 0.000 2.562 109 M HA 0.391 4.870 4.480 -0.000 0.000 0.257 109 M C 1.610 178.135 176.300 0.376 0.000 1.099 109 M CA 0.886 56.354 55.300 0.279 0.000 1.099 109 M CB -0.273 32.431 32.600 0.174 0.000 1.427 109 M HN 0.814 nan 8.290 nan 0.000 0.489 110 A N 0.636 123.597 122.820 0.235 0.000 2.800 110 A HA -0.105 4.215 4.320 -0.000 0.000 0.292 110 A C -0.031 177.661 177.584 0.180 0.000 1.474 110 A CA 0.277 52.414 52.037 0.167 0.000 0.744 110 A CB -2.080 16.998 19.000 0.130 0.000 1.044 110 A HN 0.238 nan 8.150 nan 0.000 0.489 111 V N 0.328 120.336 119.914 0.158 0.000 2.555 111 V HA 0.778 4.898 4.120 -0.000 0.000 0.302 111 V C 0.353 176.527 176.094 0.133 0.000 1.038 111 V CA 0.157 62.568 62.300 0.186 0.000 0.887 111 V CB 2.326 34.292 31.823 0.239 0.000 0.991 111 V HN 0.683 nan 8.190 nan 0.000 0.434 112 T N 3.850 118.501 114.554 0.161 0.000 2.840 112 T HA 0.484 4.834 4.350 -0.000 0.000 0.287 112 T C -0.582 174.241 174.700 0.205 0.000 0.991 112 T CA -0.377 61.806 62.100 0.139 0.000 0.964 112 T CB 1.481 70.412 68.868 0.104 0.000 0.954 112 T HN 0.312 nan 8.240 nan 0.000 0.438 113 V N 6.070 126.133 119.914 0.249 0.000 2.383 113 V HA 0.661 4.781 4.120 -0.000 0.000 0.275 113 V C 0.182 176.460 176.094 0.307 0.000 1.036 113 V CA -0.538 61.947 62.300 0.308 0.000 0.889 113 V CB 0.599 32.643 31.823 0.368 0.000 0.985 113 V HN 0.946 nan 8.190 nan 0.000 0.459 114 M N 2.123 121.910 119.600 0.312 0.000 2.664 114 M HA 0.675 5.155 4.480 -0.000 0.000 0.279 114 M C -0.471 176.042 176.300 0.355 0.000 1.275 114 M CA -0.832 54.590 55.300 0.203 0.000 0.829 114 M CB 2.098 34.755 32.600 0.095 0.000 1.727 114 M HN 0.489 nan 8.290 nan 0.000 0.459 115 E N 1.610 121.953 120.200 0.238 0.000 2.465 115 E HA -0.037 4.312 4.350 -0.000 0.000 0.260 115 E C -1.107 175.624 176.600 0.218 0.000 0.980 115 E CA 0.092 56.692 56.400 0.332 0.000 0.927 115 E CB 0.582 30.374 29.700 0.154 0.000 0.934 115 E HN 0.648 nan 8.360 nan 0.000 0.459 116 D N 3.988 124.528 120.400 0.234 0.000 2.351 116 D HA 0.059 4.699 4.640 -0.000 0.000 0.251 116 D C -0.111 176.262 176.300 0.121 0.000 1.137 116 D CA 0.064 54.186 54.000 0.203 0.000 0.879 116 D CB 0.624 41.596 40.800 0.287 0.000 1.181 116 D HN 0.444 nan 8.370 nan 0.000 0.448 117 L N 3.078 124.229 121.223 -0.119 0.000 3.202 117 L HA 0.183 4.523 4.340 -0.000 0.000 0.278 117 L C 1.589 178.017 176.870 -0.736 0.000 1.268 117 L CA -0.269 54.252 54.840 -0.532 0.000 1.034 117 L CB 0.290 41.808 42.059 -0.902 0.000 1.407 117 L HN 0.318 nan 8.230 nan 0.000 0.581 118 S N -0.152 115.414 115.700 -0.222 0.000 2.440 118 S HA -0.152 4.317 4.470 -0.000 0.000 0.238 118 S C 1.860 176.417 174.600 -0.071 0.000 1.010 118 S CA 1.222 59.349 58.200 -0.121 0.000 0.972 118 S CB -0.350 62.816 63.200 -0.057 0.000 0.774 118 S HN 0.623 nan 8.310 nan 0.000 0.501 119 H N 0.108 119.147 119.070 -0.050 0.000 2.556 119 H HA 0.268 4.824 4.556 -0.000 0.000 0.268 119 H C 0.484 175.829 175.328 0.029 0.000 0.996 119 H CA 0.172 56.223 56.048 0.004 0.000 1.157 119 H CB -0.378 29.396 29.762 0.021 0.000 1.355 119 H HN 0.321 nan 8.280 nan 0.000 0.597 120 L N 0.665 121.655 121.223 -0.388 0.000 2.313 120 L HA 0.432 4.772 4.340 -0.000 0.000 0.268 120 L C 0.143 177.150 176.870 0.229 0.000 1.010 120 L CA -1.075 53.695 54.840 -0.117 0.000 0.814 120 L CB 2.134 44.034 42.059 -0.265 0.000 1.304 120 L HN -0.046 nan 8.230 nan 0.000 0.441 121 K N 1.097 121.665 120.400 0.279 0.000 2.259 121 K HA 0.447 4.767 4.320 -0.000 0.000 0.252 121 K C -0.702 175.929 176.600 0.052 0.000 0.936 121 K CA -0.832 55.585 56.287 0.217 0.000 0.810 121 K CB 1.505 34.111 32.500 0.177 0.000 1.143 121 K HN 0.361 nan 8.250 nan 0.000 0.427 122 I N 3.829 124.290 120.570 -0.182 0.000 2.752 122 I HA -0.103 4.067 4.170 -0.000 0.000 0.289 122 I C 1.525 177.553 176.117 -0.149 0.000 1.197 122 I CA 0.591 61.674 61.300 -0.362 0.000 1.432 122 I CB 0.613 38.402 38.000 -0.351 0.000 1.359 122 I HN 0.908 nan 8.210 nan 0.000 0.571 123 A N 7.652 130.363 122.820 -0.182 0.000 1.933 123 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 123 A C 2.399 180.012 177.584 0.049 0.000 1.175 123 A CA 1.384 53.363 52.037 -0.097 0.000 0.628 123 A CB -0.391 18.512 19.000 -0.162 0.000 0.814 123 A HN 0.828 nan 8.150 nan 0.000 0.444 124 R N -0.161 120.338 120.500 -0.002 0.000 2.083 124 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 124 R C 2.313 178.632 176.300 0.032 0.000 1.137 124 R CA 1.994 58.105 56.100 0.019 0.000 0.951 124 R CB -0.283 30.026 30.300 0.016 0.000 0.851 124 R HN 0.572 nan 8.270 nan 0.000 0.434 125 K N -0.659 119.755 120.400 0.023 0.000 2.009 125 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 125 K C 1.995 178.635 176.600 0.066 0.000 1.049 125 K CA 1.808 58.115 56.287 0.033 0.000 0.929 125 K CB -0.468 32.044 32.500 0.020 0.000 0.714 125 K HN 0.349 nan 8.250 nan 0.000 0.440 126 G N 1.368 110.253 108.800 0.141 0.000 2.440 126 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 126 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 126 G C 1.536 176.480 174.900 0.072 0.000 1.154 126 G CA 0.874 46.087 45.100 0.189 0.000 0.767 126 G HN 0.236 nan 8.290 nan 0.000 0.552 127 L N -0.054 121.250 121.223 0.135 0.000 2.083 127 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 127 L C 2.814 179.676 176.870 -0.013 0.000 1.083 127 L CA 0.660 55.524 54.840 0.040 0.000 0.752 127 L CB -0.281 41.820 42.059 0.070 0.000 0.899 127 L HN 0.197 nan 8.230 nan 0.000 0.433 128 I N -0.447 120.123 120.570 0.000 0.000 2.394 128 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 128 I C 2.110 178.215 176.117 -0.021 0.000 1.136 128 I CA 1.170 62.462 61.300 -0.014 0.000 1.425 128 I CB -0.176 37.821 38.000 -0.005 0.000 1.079 128 I HN 0.260 nan 8.210 nan 0.000 0.425 129 E N 0.449 120.638 120.200 -0.018 0.000 2.427 129 E HA 0.005 4.354 4.350 -0.000 0.000 0.196 129 E C 1.444 178.013 176.600 -0.052 0.000 1.028 129 E CA 0.613 56.997 56.400 -0.026 0.000 0.864 129 E CB 0.114 29.805 29.700 -0.014 0.000 0.813 129 E HN 0.588 nan 8.360 nan 0.000 0.514 130 G N 1.460 110.216 108.800 -0.073 0.000 2.144 130 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 130 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 130 G C -0.131 174.675 174.900 -0.157 0.000 0.988 130 G CA -0.368 44.674 45.100 -0.098 0.000 0.659 130 G HN 0.074 nan 8.290 nan 0.000 0.522 131 E N 0.310 120.369 120.200 -0.235 0.000 2.392 131 E HA 0.249 4.598 4.350 -0.000 0.000 0.264 131 E C 0.820 177.139 176.600 -0.469 0.000 1.024 131 E CA -0.341 55.786 56.400 -0.454 0.000 0.903 131 E CB 0.547 29.755 29.700 -0.821 0.000 0.963 131 E HN 0.283 nan 8.360 nan 0.000 0.432 132 N N 1.088 119.540 118.700 -0.413 0.000 2.348 132 N HA -0.025 4.715 4.740 -0.000 0.000 0.183 132 N C -0.464 175.059 175.510 0.022 0.000 1.094 132 N CA 0.005 52.947 53.050 -0.180 0.000 0.885 132 N CB 0.098 38.501 38.487 -0.140 0.000 1.065 132 N HN 0.444 nan 8.380 nan 0.000 0.472 133 Y N -0.113 120.209 120.300 0.037 0.000 2.945 133 Y HA -0.150 4.400 4.550 -0.000 0.000 0.161 133 Y C -1.597 174.322 175.900 0.031 0.000 1.672 133 Y CA -0.875 57.237 58.100 0.020 0.000 0.920 133 Y CB -1.289 37.178 38.460 0.011 0.000 1.489 133 Y HN 0.161 nan 8.280 nan 0.000 0.354 134 P HA -0.192 nan 4.420 nan 0.000 0.217 134 P C 0.560 177.737 177.300 -0.205 0.000 1.148 134 P CA 2.152 65.138 63.100 -0.190 0.000 0.828 134 P CB 0.121 31.527 31.700 -0.489 0.000 0.783 135 H N -2.716 116.353 119.070 -0.002 0.000 2.586 135 H HA 0.161 4.717 4.556 -0.000 0.000 0.273 135 H C 1.622 176.740 175.328 -0.350 0.000 0.997 135 H CA -0.443 55.461 56.048 -0.240 0.000 1.177 135 H CB -0.291 29.189 29.762 -0.470 0.000 1.471 135 H HN -0.025 nan 8.280 nan 0.000 0.538 136 L N 1.162 122.344 121.223 -0.068 0.000 2.013 136 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 136 L C 2.152 178.958 176.870 -0.107 0.000 1.073 136 L CA 2.079 56.836 54.840 -0.138 0.000 0.753 136 L CB -0.530 41.379 42.059 -0.251 0.000 0.890 136 L HN 0.286 nan 8.230 nan 0.000 0.432 137 S N -1.378 114.292 115.700 -0.049 0.000 2.387 137 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 137 S C 2.194 176.855 174.600 0.102 0.000 1.026 137 S CA 1.098 59.363 58.200 0.108 0.000 0.972 137 S CB -1.127 62.243 63.200 0.283 0.000 0.814 137 S HN 0.645 nan 8.310 nan 0.000 0.477 138 Q N 1.789 121.638 119.800 0.081 0.000 2.050 138 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 138 Q C 1.850 177.955 176.000 0.174 0.000 0.980 138 Q CA 2.009 57.877 55.803 0.108 0.000 0.840 138 Q CB -1.629 27.172 28.738 0.105 0.000 0.898 138 Q HN 0.967 nan 8.270 nan 0.000 0.424 139 H N -0.414 118.709 119.070 0.088 0.000 2.326 139 H HA 0.022 4.578 4.556 -0.000 0.000 0.301 139 H C 2.154 177.479 175.328 -0.006 0.000 1.081 139 H CA 0.793 56.870 56.048 0.048 0.000 1.334 139 H CB 0.205 29.979 29.762 0.021 0.000 1.385 139 H HN 0.380 nan 8.280 nan 0.000 0.504 140 I N 0.699 121.278 120.570 0.015 0.000 2.394 140 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 140 I C 2.685 178.798 176.117 -0.006 0.000 1.136 140 I CA 1.097 62.292 61.300 -0.175 0.000 1.425 140 I CB -1.290 36.285 38.000 -0.709 0.000 1.079 140 I HN 0.343 nan 8.210 nan 0.000 0.425 141 G N 0.681 109.521 108.800 0.067 0.000 2.418 141 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 141 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 141 G C 1.605 176.614 174.900 0.182 0.000 1.158 141 G CA 0.800 45.986 45.100 0.145 0.000 0.771 141 G HN 0.476 nan 8.290 nan 0.000 0.545 142 E N -0.383 119.918 120.200 0.169 0.000 2.031 142 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 142 E C 2.116 178.826 176.600 0.183 0.000 0.994 142 E CA 0.900 57.402 56.400 0.169 0.000 0.800 142 E CB -0.342 29.474 29.700 0.193 0.000 0.752 142 E HN 0.347 nan 8.360 nan 0.000 0.447 143 F N 1.413 121.380 119.950 0.028 0.000 2.087 143 F HA -0.278 4.248 4.527 -0.001 0.000 0.299 143 F C 1.998 177.844 175.800 0.077 0.000 1.100 143 F CA 1.772 59.775 58.000 0.006 0.000 1.226 143 F CB -0.225 38.727 39.000 -0.081 0.000 0.983 143 F HN 0.042 nan 8.300 nan 0.000 0.479 144 L N -0.412 120.948 121.223 0.228 0.000 2.056 144 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 144 L C 2.811 179.908 176.870 0.379 0.000 1.078 144 L CA 1.379 56.347 54.840 0.214 0.000 0.749 144 L CB -1.429 40.747 42.059 0.196 0.000 0.901 144 L HN 0.347 nan 8.230 nan 0.000 0.433 145 G N -0.268 108.792 108.800 0.434 0.000 2.394 145 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.215 145 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.215 145 G C 1.679 176.724 174.900 0.241 0.000 1.165 145 G CA 0.338 45.633 45.100 0.325 0.000 0.784 145 G HN 0.274 nan 8.290 nan 0.000 0.535 146 K N 0.350 120.852 120.400 0.171 0.000 2.031 146 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 146 K C 2.955 179.651 176.600 0.160 0.000 1.049 146 K CA 1.636 58.072 56.287 0.248 0.000 0.939 146 K CB -0.469 32.160 32.500 0.215 0.000 0.717 146 K HN 0.436 nan 8.250 nan 0.000 0.438 147 T N 0.615 115.121 114.554 -0.079 0.000 2.708 147 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 147 T C 2.077 176.737 174.700 -0.067 0.000 1.037 147 T CA 0.962 62.942 62.100 -0.201 0.000 1.146 147 T CB -0.493 68.017 68.868 -0.596 0.000 0.865 147 T HN 0.051 nan 8.240 nan 0.000 0.435 148 L N -0.810 120.453 121.223 0.066 0.000 2.109 148 L HA 0.166 4.506 4.340 -0.000 0.000 0.207 148 L C 2.504 179.535 176.870 0.269 0.000 1.086 148 L CA 1.125 56.071 54.840 0.176 0.000 0.760 148 L CB -0.636 41.617 42.059 0.323 0.000 0.910 148 L HN 0.169 nan 8.230 nan 0.000 0.437 149 F N 0.036 120.070 119.950 0.140 0.000 2.102 149 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 149 F C 2.144 177.783 175.800 -0.268 0.000 1.105 149 F CA 1.592 59.501 58.000 -0.152 0.000 1.239 149 F CB -0.261 38.355 39.000 -0.640 0.000 0.991 149 F HN -0.062 nan 8.300 nan 0.000 0.474 150 Y N -0.561 119.663 120.300 -0.126 0.000 2.583 150 Y HA 0.039 4.589 4.550 -0.000 0.000 0.293 150 Y C 1.979 177.719 175.900 -0.266 0.000 1.157 150 Y CA 0.865 58.783 58.100 -0.303 0.000 1.315 150 Y CB -0.302 37.706 38.460 -0.753 0.000 1.021 150 Y HN -0.033 nan 8.280 nan 0.000 0.536 151 S N -1.153 114.476 115.700 -0.118 0.000 2.593 151 S HA 0.102 4.572 4.470 -0.000 0.000 0.236 151 S C 0.653 175.227 174.600 -0.043 0.000 0.991 151 S CA -0.152 58.011 58.200 -0.062 0.000 0.963 151 S CB -0.078 63.031 63.200 -0.152 0.000 0.865 151 S HN 0.309 nan 8.310 nan 0.000 0.488 152 S N 0.811 116.407 115.700 -0.174 0.000 2.730 152 S HA 0.354 4.824 4.470 -0.000 0.000 0.284 152 S C 0.394 174.833 174.600 -0.268 0.000 1.153 152 S CA -0.658 57.429 58.200 -0.188 0.000 0.995 152 S CB 0.705 63.791 63.200 -0.191 0.000 1.058 152 S HN 0.105 nan 8.310 nan 0.000 0.552 153 D N -0.191 120.000 120.400 -0.349 0.000 2.310 153 D HA -0.057 4.583 4.640 -0.000 0.000 0.212 153 D C 1.049 177.133 176.300 -0.360 0.000 0.965 153 D CA 1.156 54.963 54.000 -0.322 0.000 0.879 153 D CB -0.159 40.455 40.800 -0.310 0.000 0.921 153 D HN 0.637 nan 8.370 nan 0.000 0.510 154 Y N 0.904 121.021 120.300 -0.304 0.000 2.373 154 Y HA 0.018 4.568 4.550 -0.000 0.000 0.293 154 Y C 2.418 177.965 175.900 -0.588 0.000 1.129 154 Y CA 0.591 58.411 58.100 -0.466 0.000 1.226 154 Y CB -0.357 37.751 38.460 -0.587 0.000 1.000 154 Y HN -0.062 nan 8.280 nan 0.000 0.549 155 A N -0.902 121.567 122.820 -0.585 0.000 2.085 155 A HA 0.320 4.640 4.320 -0.000 0.000 0.208 155 A C 0.574 178.070 177.584 -0.146 0.000 1.191 155 A CA 0.084 51.856 52.037 -0.441 0.000 0.799 155 A CB -0.066 18.537 19.000 -0.662 0.000 0.877 155 A HN 0.206 nan 8.150 nan 0.000 0.473 156 L N 0.667 121.806 121.223 -0.141 0.000 2.334 156 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 156 L C -0.479 176.357 176.870 -0.055 0.000 1.013 156 L CA -0.841 53.966 54.840 -0.054 0.000 0.816 156 L CB 1.764 43.806 42.059 -0.028 0.000 1.278 156 L HN 0.226 nan 8.230 nan 0.000 0.431 157 E N 3.166 123.349 120.200 -0.027 0.000 2.414 157 E HA -0.019 4.330 4.350 -0.000 0.000 0.263 157 E C -1.536 175.040 176.600 -0.040 0.000 1.000 157 E CA -1.239 55.144 56.400 -0.029 0.000 0.914 157 E CB 0.631 30.322 29.700 -0.015 0.000 0.948 157 E HN 0.353 nan 8.360 nan 0.000 0.444 158 P HA -0.161 nan 4.420 nan 0.000 0.221 158 P C 0.533 177.798 177.300 -0.058 0.000 1.150 158 P CA 1.304 64.370 63.100 -0.058 0.000 0.800 158 P CB 0.274 31.944 31.700 -0.049 0.000 0.787 159 K N -0.386 119.988 120.400 -0.043 0.000 2.148 159 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 159 K C 2.038 178.612 176.600 -0.043 0.000 1.050 159 K CA 0.889 57.151 56.287 -0.041 0.000 0.942 159 K CB -0.515 31.967 32.500 -0.029 0.000 0.724 159 K HN 0.026 nan 8.250 nan 0.000 0.446 160 V N 2.062 121.956 119.914 -0.033 0.000 2.283 160 V HA -0.217 3.902 4.120 -0.000 0.000 0.243 160 V C 2.430 178.501 176.094 -0.038 0.000 1.039 160 V CA 1.481 63.769 62.300 -0.020 0.000 1.016 160 V CB -0.384 31.440 31.823 0.001 0.000 0.650 160 V HN 0.283 nan 8.190 nan 0.000 0.449 161 K N 0.780 121.145 120.400 -0.059 0.000 2.074 161 K HA -0.245 4.074 4.320 -0.000 0.000 0.209 161 K C 2.169 178.625 176.600 -0.241 0.000 1.048 161 K CA 1.844 58.060 56.287 -0.118 0.000 0.926 161 K CB -0.269 32.172 32.500 -0.099 0.000 0.713 161 K HN 0.407 nan 8.250 nan 0.000 0.444 162 K N 0.087 120.384 120.400 -0.172 0.000 2.147 162 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 162 K C 2.250 178.760 176.600 -0.151 0.000 1.049 162 K CA 1.122 57.305 56.287 -0.173 0.000 0.936 162 K CB 0.047 32.483 32.500 -0.107 0.000 0.722 162 K HN 0.157 nan 8.250 nan 0.000 0.446 163 Q N 0.600 120.336 119.800 -0.106 0.000 2.083 163 Q HA -0.030 4.310 4.340 -0.000 0.000 0.198 163 Q C 2.178 178.142 176.000 -0.059 0.000 0.969 163 Q CA 1.083 56.844 55.803 -0.069 0.000 0.838 163 Q CB -0.140 28.575 28.738 -0.038 0.000 0.900 163 Q HN 0.349 nan 8.270 nan 0.000 0.436 164 L N -0.174 121.017 121.223 -0.053 0.000 2.083 164 L HA -0.167 4.172 4.340 -0.000 0.000 0.209 164 L C 2.382 179.259 176.870 0.012 0.000 1.083 164 L CA 0.691 55.586 54.840 0.092 0.000 0.752 164 L CB -0.614 41.571 42.059 0.210 0.000 0.899 164 L HN 0.017 nan 8.230 nan 0.000 0.433 165 V N 0.052 119.712 119.914 -0.425 0.000 2.332 165 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 165 V C 2.513 178.589 176.094 -0.030 0.000 1.055 165 V CA 1.897 63.990 62.300 -0.344 0.000 1.038 165 V CB -0.549 31.039 31.823 -0.391 0.000 0.651 165 V HN 0.436 nan 8.190 nan 0.000 0.450 166 K N -0.261 120.107 120.400 -0.054 0.000 2.002 166 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 166 K C 2.328 178.915 176.600 -0.021 0.000 1.048 166 K CA 1.897 58.168 56.287 -0.027 0.000 0.930 166 K CB -0.288 32.184 32.500 -0.046 0.000 0.714 166 K HN 0.510 nan 8.250 nan 0.000 0.438 167 Q N -0.039 119.729 119.800 -0.054 0.000 2.181 167 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 167 Q C 0.897 176.713 176.000 -0.307 0.000 0.980 167 Q CA 1.518 57.201 55.803 -0.200 0.000 0.862 167 Q CB 0.106 28.680 28.738 -0.274 0.000 0.905 167 Q HN 0.261 nan 8.270 nan 0.000 0.429 168 F N 0.189 120.202 119.950 0.104 0.000 2.641 168 F HA 0.229 4.756 4.527 -0.000 0.000 0.302 168 F C 0.254 176.158 175.800 0.174 0.000 1.098 168 F CA -0.238 57.856 58.000 0.157 0.000 1.318 168 F CB 0.590 39.736 39.000 0.244 0.000 1.035 168 F HN -0.227 nan 8.300 nan 0.000 0.551 169 T N 1.576 116.268 114.554 0.230 0.000 2.871 169 T HA -0.084 4.266 4.350 -0.000 0.000 0.296 169 T C 0.475 175.239 174.700 0.107 0.000 0.998 169 T CA 0.517 62.717 62.100 0.167 0.000 1.162 169 T CB -0.008 68.908 68.868 0.079 0.000 0.947 169 T HN 0.080 nan 8.240 nan 0.000 0.536 170 N N 4.000 122.741 118.700 0.069 0.000 2.733 170 N HA 0.288 5.028 4.740 -0.000 0.000 0.271 170 N C -2.202 173.249 175.510 -0.098 0.000 1.720 170 N CA -1.988 51.059 53.050 -0.006 0.000 0.803 170 N CB 1.139 39.647 38.487 0.036 0.000 1.208 170 N HN 0.207 nan 8.380 nan 0.000 0.498 171 P HA -0.057 nan 4.420 nan 0.000 0.217 171 P C 0.761 178.016 177.300 -0.075 0.000 1.150 171 P CA 1.257 64.311 63.100 -0.078 0.000 0.832 171 P CB 0.632 32.304 31.700 -0.048 0.000 0.787 172 E N -1.049 119.105 120.200 -0.077 0.000 2.112 172 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 172 E C 1.856 178.406 176.600 -0.084 0.000 0.979 172 E CA 0.636 56.994 56.400 -0.070 0.000 0.814 172 E CB -0.460 29.193 29.700 -0.078 0.000 0.762 172 E HN 0.155 nan 8.360 nan 0.000 0.460 173 L N 0.305 121.435 121.223 -0.155 0.000 2.109 173 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 173 L C 2.371 179.283 176.870 0.070 0.000 1.086 173 L CA 0.961 55.653 54.840 -0.247 0.000 0.760 173 L CB -0.304 41.391 42.059 -0.607 0.000 0.910 173 L HN 0.233 nan 8.230 nan 0.000 0.437 174 C N -0.419 118.855 119.300 -0.042 0.000 2.413 174 C HA -0.194 4.266 4.460 -0.000 0.000 0.277 174 C C 2.581 177.644 174.990 0.120 0.000 1.265 174 C CA 0.981 59.969 59.018 -0.049 0.000 1.752 174 C CB -0.785 26.691 27.740 -0.440 0.000 1.998 174 C HN 0.609 nan 8.230 nan 0.000 0.489 175 D N 0.680 121.117 120.400 0.061 0.000 2.123 175 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 175 D C 1.815 178.201 176.300 0.142 0.000 0.992 175 D CA 1.251 55.303 54.000 0.087 0.000 0.833 175 D CB -0.228 40.595 40.800 0.038 0.000 0.954 175 D HN 0.488 nan 8.370 nan 0.000 0.455 176 I N -0.044 120.634 120.570 0.181 0.000 2.179 176 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 176 I C 2.302 178.562 176.117 0.239 0.000 1.088 176 I CA 1.390 62.830 61.300 0.233 0.000 1.357 176 I CB -0.488 37.717 38.000 0.341 0.000 1.051 176 I HN 0.070 nan 8.210 nan 0.000 0.409 177 T N -0.072 114.655 114.554 0.289 0.000 2.737 177 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 177 T C 1.731 176.538 174.700 0.178 0.000 1.038 177 T CA 1.330 63.522 62.100 0.153 0.000 1.144 177 T CB -0.313 68.613 68.868 0.097 0.000 0.866 177 T HN 0.381 nan 8.240 nan 0.000 0.434 178 E N 0.846 121.211 120.200 0.275 0.000 2.097 178 E HA -0.146 4.203 4.350 -0.000 0.000 0.196 178 E C 2.551 179.328 176.600 0.295 0.000 1.000 178 E CA 1.048 57.645 56.400 0.329 0.000 0.804 178 E CB -0.077 29.776 29.700 0.255 0.000 0.740 178 E HN 0.398 nan 8.360 nan 0.000 0.454 179 R N 0.093 120.723 120.500 0.216 0.000 2.055 179 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 179 R C 2.492 178.912 176.300 0.200 0.000 1.135 179 R CA 0.895 57.113 56.100 0.196 0.000 0.959 179 R CB -0.201 30.185 30.300 0.143 0.000 0.854 179 R HN 0.154 nan 8.270 nan 0.000 0.431 180 L N 0.193 121.506 121.223 0.150 0.000 2.072 180 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 180 L C 2.314 179.215 176.870 0.051 0.000 1.079 180 L CA 0.913 55.815 54.840 0.104 0.000 0.752 180 L CB -0.294 41.809 42.059 0.074 0.000 0.906 180 L HN 0.051 nan 8.230 nan 0.000 0.436 181 V N -1.344 118.548 119.914 -0.036 0.000 2.535 181 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 181 V C 1.726 177.688 176.094 -0.219 0.000 1.045 181 V CA 1.467 63.609 62.300 -0.262 0.000 1.058 181 V CB -0.248 31.246 31.823 -0.548 0.000 0.689 181 V HN 0.233 nan 8.190 nan 0.000 0.461 182 F N -0.748 119.336 119.950 0.225 0.000 2.720 182 F HA 0.184 4.711 4.527 -0.000 0.000 0.301 182 F C 1.880 177.893 175.800 0.355 0.000 1.103 182 F CA 0.663 58.830 58.000 0.279 0.000 1.291 182 F CB 0.247 39.334 39.000 0.144 0.000 1.086 182 F HN 0.055 nan 8.300 nan 0.000 0.592 183 T N -2.148 112.721 114.554 0.526 0.000 3.280 183 T HA 0.022 4.372 4.350 -0.000 0.000 0.256 183 T C 1.135 176.153 174.700 0.530 0.000 0.995 183 T CA 0.271 62.672 62.100 0.502 0.000 1.144 183 T CB -0.102 68.954 68.868 0.313 0.000 1.140 183 T HN -0.183 nan 8.240 nan 0.000 0.423 184 D N 2.114 122.741 120.400 0.378 0.000 2.097 184 D HA -0.022 4.618 4.640 -0.000 0.000 0.195 184 D C -0.981 175.434 176.300 0.191 0.000 0.989 184 D CA 1.145 55.330 54.000 0.308 0.000 0.827 184 D CB -1.424 39.556 40.800 0.300 0.000 0.966 184 D HN 0.312 nan 8.370 nan 0.000 0.456 185 P HA -0.089 nan 4.420 nan 0.000 0.221 185 P C 0.815 178.062 177.300 -0.089 0.000 1.145 185 P CA 0.823 63.900 63.100 -0.037 0.000 0.795 185 P CB -0.163 31.355 31.700 -0.305 0.000 0.775 186 F N -2.895 117.147 119.950 0.153 0.000 2.765 186 F HA 0.240 4.767 4.527 -0.000 0.000 0.302 186 F C 0.759 176.200 175.800 -0.598 0.000 1.111 186 F CA 0.196 58.174 58.000 -0.038 0.000 1.359 186 F CB -0.184 38.757 39.000 -0.099 0.000 1.097 186 F HN -0.215 nan 8.300 nan 0.000 0.577 187 F N -1.329 118.318 119.950 -0.506 0.000 2.650 187 F HA 0.257 4.784 4.527 -0.000 0.000 0.320 187 F C 0.156 175.077 175.800 -1.464 0.000 1.091 187 F CA -1.723 55.661 58.000 -1.026 0.000 0.962 187 F CB 0.544 38.941 39.000 -1.005 0.000 1.363 187 F HN -0.471 nan 8.300 nan 0.000 0.482 188 D N 0.986 120.618 120.400 -1.280 0.000 2.662 188 D HA 0.057 4.696 4.640 -0.000 0.000 0.228 188 D C -0.334 175.896 176.300 -0.117 0.000 1.093 188 D CA 0.435 53.880 54.000 -0.927 0.000 1.075 188 D CB -0.731 39.704 40.800 -0.610 0.000 1.122 188 D HN 0.456 nan 8.370 nan 0.000 0.475 189 H N -0.464 118.542 119.070 -0.106 0.000 2.496 189 H HA 0.294 4.849 4.556 -0.000 0.000 0.342 189 H C 1.316 176.672 175.328 0.046 0.000 1.170 189 H CA -0.197 55.849 56.048 -0.004 0.000 1.274 189 H CB 1.452 31.231 29.762 0.028 0.000 1.538 189 H HN 0.318 nan 8.280 nan 0.000 0.542 190 D N 0.191 120.673 120.400 0.136 0.000 2.219 190 D HA -0.165 4.475 4.640 -0.000 0.000 0.205 190 D C 1.975 178.325 176.300 0.082 0.000 0.970 190 D CA 1.498 55.544 54.000 0.076 0.000 0.851 190 D CB -0.707 40.106 40.800 0.022 0.000 0.943 190 D HN 0.688 nan 8.370 nan 0.000 0.488 191 T N -2.378 112.243 114.554 0.111 0.000 2.995 191 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 191 T C 0.984 175.755 174.700 0.118 0.000 1.091 191 T CA 0.192 62.350 62.100 0.096 0.000 1.128 191 T CB -0.344 68.587 68.868 0.105 0.000 0.891 191 T HN 0.225 nan 8.240 nan 0.000 0.492 192 N N 2.841 121.652 118.700 0.185 0.000 2.381 192 N HA 0.297 5.037 4.740 -0.000 0.000 0.241 192 N C -0.766 174.841 175.510 0.162 0.000 1.279 192 N CA 0.359 53.568 53.050 0.265 0.000 0.896 192 N CB 0.497 39.269 38.487 0.474 0.000 1.118 192 N HN 0.426 nan 8.380 nan 0.000 0.438 193 D N 0.626 121.170 120.400 0.239 0.000 2.365 193 D HA 0.299 4.939 4.640 -0.000 0.000 0.235 193 D C -1.664 174.820 176.300 0.307 0.000 1.368 193 D CA -0.445 53.611 54.000 0.093 0.000 1.001 193 D CB -0.187 40.596 40.800 -0.027 0.000 1.364 193 D HN 0.353 nan 8.370 nan 0.000 0.577 194 F N -0.030 120.021 119.950 0.169 0.000 2.631 194 F HA 0.709 5.236 4.527 -0.000 0.000 0.308 194 F C -0.101 175.758 175.800 0.100 0.000 1.097 194 F CA -1.254 56.819 58.000 0.122 0.000 0.952 194 F CB 0.799 39.828 39.000 0.048 0.000 1.307 194 F HN -0.154 nan 8.300 nan 0.000 0.450 195 E N 0.858 121.241 120.200 0.305 0.000 2.415 195 E HA 0.074 4.424 4.350 -0.000 0.000 0.262 195 E C 0.568 177.355 176.600 0.311 0.000 1.038 195 E CA 0.075 56.627 56.400 0.254 0.000 0.921 195 E CB 0.690 30.547 29.700 0.261 0.000 0.950 195 E HN 0.712 nan 8.360 nan 0.000 0.438 196 E N 1.710 122.035 120.200 0.210 0.000 2.265 196 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 196 E C 0.729 177.429 176.600 0.168 0.000 0.996 196 E CA 1.006 57.517 56.400 0.185 0.000 0.832 196 E CB 0.084 29.844 29.700 0.101 0.000 0.756 196 E HN 0.464 nan 8.360 nan 0.000 0.491 197 E N -0.652 119.665 120.200 0.194 0.000 2.418 197 E HA -0.030 4.319 4.350 -0.000 0.000 0.197 197 E C 1.414 178.088 176.600 0.124 0.000 1.026 197 E CA 0.360 56.852 56.400 0.154 0.000 0.862 197 E CB 0.033 29.870 29.700 0.228 0.000 0.799 197 E HN 0.292 nan 8.360 nan 0.000 0.518 198 L N -0.328 120.980 121.223 0.141 0.000 2.477 198 L HA 0.126 4.466 4.340 -0.000 0.000 0.220 198 L C 2.293 179.085 176.870 -0.129 0.000 1.106 198 L CA 0.068 54.983 54.840 0.125 0.000 0.851 198 L CB -0.035 42.058 42.059 0.057 0.000 0.994 198 L HN 0.064 nan 8.230 nan 0.000 0.462 199 R N 1.067 121.490 120.500 -0.128 0.000 2.119 199 R HA -0.209 4.131 4.340 -0.000 0.000 0.246 199 R C -0.599 175.434 176.300 -0.444 0.000 1.146 199 R CA 1.983 57.926 56.100 -0.262 0.000 0.962 199 R CB -0.999 29.293 30.300 -0.013 0.000 0.863 199 R HN 0.222 nan 8.270 nan 0.000 0.442 200 P HA -0.144 nan 4.420 nan 0.000 0.216 200 P C 0.612 177.517 177.300 -0.659 0.000 1.150 200 P CA 1.547 64.251 63.100 -0.660 0.000 0.837 200 P CB -0.098 31.043 31.700 -0.932 0.000 0.786 201 F N -1.745 118.033 119.950 -0.287 0.000 2.293 201 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 201 F C 2.282 177.809 175.800 -0.455 0.000 1.089 201 F CA 0.362 58.175 58.000 -0.313 0.000 1.377 201 F CB -1.336 37.498 39.000 -0.276 0.000 1.051 201 F HN -0.292 nan 8.300 nan 0.000 0.511 202 V N 0.457 120.059 119.914 -0.520 0.000 2.270 202 V HA -0.248 3.871 4.120 -0.000 0.000 0.245 202 V C 2.142 177.510 176.094 -1.211 0.000 1.043 202 V CA 1.960 63.674 62.300 -0.977 0.000 1.014 202 V CB -0.527 30.420 31.823 -1.460 0.000 0.645 202 V HN 0.303 nan 8.190 nan 0.000 0.447 203 E N -0.205 119.422 120.200 -0.956 0.000 2.204 203 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 203 E C 2.221 178.655 176.600 -0.277 0.000 0.990 203 E CA 1.135 57.194 56.400 -0.569 0.000 0.821 203 E CB -0.123 29.404 29.700 -0.288 0.000 0.750 203 E HN 0.514 nan 8.360 nan 0.000 0.477 204 K N 0.896 121.130 120.400 -0.277 0.000 2.057 204 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 204 K C 2.210 178.745 176.600 -0.108 0.000 1.049 204 K CA 0.879 57.080 56.287 -0.144 0.000 0.931 204 K CB -0.064 32.375 32.500 -0.102 0.000 0.714 204 K HN 0.044 nan 8.250 nan 0.000 0.440 205 L N 0.401 121.517 121.223 -0.179 0.000 2.017 205 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 205 L C 1.839 178.751 176.870 0.071 0.000 1.073 205 L CA 1.647 56.439 54.840 -0.080 0.000 0.745 205 L CB -0.665 41.295 42.059 -0.164 0.000 0.894 205 L HN 0.309 nan 8.230 nan 0.000 0.432 206 W N 0.310 121.533 121.300 -0.128 0.000 2.325 206 W HA -0.171 4.489 4.660 -0.000 0.000 0.299 206 W C 2.208 178.645 176.519 -0.138 0.000 1.215 206 W CA 1.024 58.272 57.345 -0.162 0.000 1.244 206 W CB -1.411 27.969 29.460 -0.135 0.000 1.140 206 W HN 0.345 nan 8.180 nan 0.000 0.523 207 N N -0.018 118.757 118.700 0.125 0.000 2.412 207 N HA -0.083 4.656 4.740 -0.000 0.000 0.184 207 N C 0.305 175.830 175.510 0.024 0.000 1.101 207 N CA 0.389 53.474 53.050 0.059 0.000 0.881 207 N CB -0.493 38.019 38.487 0.042 0.000 0.969 207 N HN -0.008 nan 8.380 nan 0.000 0.459 208 N N 2.045 120.758 118.700 0.022 0.000 2.508 208 N HA 0.000 4.740 4.740 -0.000 0.000 0.253 208 N C 0.093 175.604 175.510 0.001 0.000 1.145 208 N CA 0.006 53.062 53.050 0.010 0.000 0.973 208 N CB 0.463 38.960 38.487 0.016 0.000 1.305 208 N HN -0.042 nan 8.380 nan 0.000 0.506 209 D N 0.582 120.981 120.400 -0.003 0.000 2.116 209 D HA -0.192 4.447 4.640 -0.000 0.000 0.193 209 D C 1.780 178.073 176.300 -0.011 0.000 0.998 209 D CA 1.648 55.644 54.000 -0.007 0.000 0.836 209 D CB 0.008 40.809 40.800 0.002 0.000 0.951 209 D HN 0.644 nan 8.370 nan 0.000 0.449 210 S N -0.235 115.460 115.700 -0.009 0.000 2.387 210 S HA -0.087 4.383 4.470 -0.000 0.000 0.226 210 S C 2.150 176.740 174.600 -0.017 0.000 1.026 210 S CA 0.779 58.972 58.200 -0.012 0.000 0.972 210 S CB -0.527 62.666 63.200 -0.012 0.000 0.814 210 S HN 0.144 nan 8.310 nan 0.000 0.477 211 V N 1.653 121.562 119.914 -0.009 0.000 2.427 211 V HA -0.057 4.063 4.120 -0.000 0.000 0.248 211 V C 2.397 178.458 176.094 -0.056 0.000 1.051 211 V CA 1.872 64.171 62.300 -0.002 0.000 1.048 211 V CB -0.578 31.274 31.823 0.049 0.000 0.666 211 V HN 0.484 nan 8.190 nan 0.000 0.456 212 K N -0.347 120.012 120.400 -0.069 0.000 2.103 212 K HA -0.007 4.312 4.320 -0.000 0.000 0.204 212 K C 1.956 178.487 176.600 -0.115 0.000 1.052 212 K CA 1.642 57.834 56.287 -0.157 0.000 0.945 212 K CB -0.225 32.190 32.500 -0.141 0.000 0.722 212 K HN 0.452 nan 8.250 nan 0.000 0.443 213 I N 1.312 121.851 120.570 -0.052 0.000 2.264 213 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 213 I C 2.098 178.193 176.117 -0.036 0.000 1.111 213 I CA 1.126 62.411 61.300 -0.024 0.000 1.382 213 I CB -0.091 37.903 38.000 -0.010 0.000 1.060 213 I HN 0.167 nan 8.210 nan 0.000 0.418 214 E N 0.763 120.932 120.200 -0.053 0.000 2.072 214 E HA -0.111 4.238 4.350 -0.000 0.000 0.190 214 E C 2.348 178.911 176.600 -0.061 0.000 0.982 214 E CA 1.299 57.671 56.400 -0.047 0.000 0.803 214 E CB -0.340 29.337 29.700 -0.038 0.000 0.755 214 E HN 0.462 nan 8.360 nan 0.000 0.453 215 A N 1.531 124.260 122.820 -0.151 0.000 1.933 215 A HA -0.102 4.217 4.320 -0.000 0.000 0.218 215 A C 2.404 179.947 177.584 -0.069 0.000 1.175 215 A CA 1.999 53.902 52.037 -0.223 0.000 0.628 215 A CB -0.547 17.905 19.000 -0.913 0.000 0.814 215 A HN 0.254 nan 8.150 nan 0.000 0.444 216 A N -0.103 122.678 122.820 -0.065 0.000 1.902 216 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 216 A C 2.113 179.713 177.584 0.026 0.000 1.181 216 A CA 1.873 53.917 52.037 0.012 0.000 0.623 216 A CB -0.399 18.616 19.000 0.025 0.000 0.818 216 A HN 0.564 nan 8.150 nan 0.000 0.443 217 K N -0.494 119.916 120.400 0.017 0.000 2.103 217 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 217 K C 1.818 178.445 176.600 0.045 0.000 1.052 217 K CA 1.147 57.450 56.287 0.026 0.000 0.945 217 K CB -0.327 32.180 32.500 0.012 0.000 0.722 217 K HN 0.439 nan 8.250 nan 0.000 0.443 218 L N 1.296 122.552 121.223 0.054 0.000 2.083 218 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 218 L C 2.616 179.571 176.870 0.142 0.000 1.083 218 L CA 1.267 56.187 54.840 0.132 0.000 0.752 218 L CB -0.342 41.839 42.059 0.203 0.000 0.899 218 L HN 0.161 nan 8.230 nan 0.000 0.433 219 K N 0.423 120.804 120.400 -0.031 0.000 2.002 219 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 219 K C 2.353 178.884 176.600 -0.115 0.000 1.048 219 K CA 1.275 57.353 56.287 -0.348 0.000 0.930 219 K CB -0.058 32.403 32.500 -0.065 0.000 0.714 219 K HN -0.000 nan 8.250 nan 0.000 0.438 220 K N 0.876 121.276 120.400 -0.001 0.000 2.089 220 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 220 K C 2.141 178.784 176.600 0.070 0.000 1.048 220 K CA 1.947 58.256 56.287 0.037 0.000 0.926 220 K CB -0.502 32.024 32.500 0.044 0.000 0.714 220 K HN 0.145 nan 8.250 nan 0.000 0.448 221 S N -0.182 115.591 115.700 0.123 0.000 2.368 221 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 221 S C 1.842 176.566 174.600 0.207 0.000 1.030 221 S CA 1.060 59.382 58.200 0.205 0.000 0.999 221 S CB -0.435 62.955 63.200 0.316 0.000 0.844 221 S HN 0.414 nan 8.310 nan 0.000 0.459 222 F N 2.027 121.957 119.950 -0.032 0.000 2.126 222 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 222 F C 1.825 177.618 175.800 -0.012 0.000 1.096 222 F CA 1.436 59.338 58.000 -0.163 0.000 1.255 222 F CB -0.366 38.247 39.000 -0.646 0.000 0.997 222 F HN 0.188 nan 8.300 nan 0.000 0.479 223 L N -0.697 120.539 121.223 0.022 0.000 2.131 223 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 223 L C 2.126 179.001 176.870 0.007 0.000 1.092 223 L CA 1.868 56.708 54.840 0.001 0.000 0.759 223 L CB -0.799 41.278 42.059 0.030 0.000 0.903 223 L HN 0.377 nan 8.230 nan 0.000 0.435 224 T N -7.624 106.945 114.554 0.024 0.000 2.980 224 T HA 0.119 4.468 4.350 -0.000 0.000 0.252 224 T C 0.882 175.604 174.700 0.036 0.000 0.962 224 T CA -0.194 61.926 62.100 0.033 0.000 0.932 224 T CB 0.167 69.059 68.868 0.040 0.000 1.188 224 T HN -0.029 nan 8.240 nan 0.000 0.500 225 S N 2.543 118.270 115.700 0.044 0.000 2.681 225 S HA 0.644 5.114 4.470 -0.000 0.000 0.313 225 S C 0.362 174.968 174.600 0.010 0.000 1.137 225 S CA -0.518 57.717 58.200 0.058 0.000 1.045 225 S CB 0.126 63.405 63.200 0.131 0.000 1.208 225 S HN 0.695 nan 8.310 nan 0.000 0.523 226 A N 3.342 126.173 122.820 0.018 0.000 3.015 226 A HA 0.310 4.629 4.320 -0.000 0.000 0.293 226 A C 0.963 178.601 177.584 0.090 0.000 1.572 226 A CA -0.526 51.534 52.037 0.038 0.000 1.274 226 A CB -0.123 18.904 19.000 0.046 0.000 1.156 226 A HN 0.775 nan 8.150 nan 0.000 0.562 227 E N 0.498 120.730 120.200 0.054 0.000 2.099 227 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 227 E C 0.403 177.028 176.600 0.041 0.000 0.962 227 E CA 1.328 57.760 56.400 0.052 0.000 0.826 227 E CB 0.300 30.058 29.700 0.096 0.000 0.788 227 E HN 0.725 nan 8.360 nan 0.000 0.461 228 T N -0.725 113.764 114.554 -0.108 0.000 2.731 228 T HA 0.375 4.725 4.350 -0.000 0.000 0.300 228 T C -1.125 172.922 174.700 -1.088 0.000 1.283 228 T CA -0.907 60.938 62.100 -0.425 0.000 1.005 228 T CB 1.227 69.942 68.868 -0.254 0.000 1.420 228 T HN -0.041 nan 8.240 nan 0.000 0.503 229 L N 2.517 122.956 121.223 -1.307 0.000 2.325 229 L HA 0.586 4.926 4.340 -0.000 0.000 0.284 229 L C -0.186 176.364 176.870 -0.533 0.000 1.089 229 L CA -0.605 53.570 54.840 -1.108 0.000 0.836 229 L CB -0.777 40.687 42.059 -0.993 0.000 1.184 229 L HN 0.684 nan 8.230 nan 0.000 0.444 230 I N 0.979 121.309 120.570 -0.399 0.000 2.924 230 I HA 0.349 4.519 4.170 -0.000 0.000 0.316 230 I C 0.864 177.022 176.117 0.068 0.000 1.014 230 I CA -0.660 60.576 61.300 -0.106 0.000 1.106 230 I CB 1.084 39.065 38.000 -0.032 0.000 1.311 230 I HN 0.641 nan 8.210 nan 0.000 0.502 231 H N 2.426 121.588 119.070 0.152 0.000 2.384 231 H HA 0.076 4.632 4.556 -0.000 0.000 0.300 231 H C 1.510 177.036 175.328 0.329 0.000 1.057 231 H CA 1.858 58.050 56.048 0.240 0.000 1.370 231 H CB 0.398 30.334 29.762 0.289 0.000 1.417 231 H HN 1.028 nan 8.280 nan 0.000 0.527 232 G N 0.595 109.770 108.800 0.625 0.000 2.225 232 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 232 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 232 G C 0.278 175.527 174.900 0.581 0.000 0.988 232 G CA 0.726 46.242 45.100 0.692 0.000 0.625 232 G HN 0.578 nan 8.290 nan 0.000 0.527 233 D N -0.939 119.823 120.400 0.603 0.000 3.404 233 D HA 0.252 4.892 4.640 -0.000 0.000 0.329 233 D C 0.056 176.465 176.300 0.181 0.000 1.421 233 D CA -0.527 53.656 54.000 0.304 0.000 0.742 233 D CB -0.228 40.638 40.800 0.110 0.000 1.290 233 D HN 0.247 nan 8.370 nan 0.000 0.600 234 L N 2.958 124.178 121.223 -0.005 0.000 2.423 234 L HA 0.316 4.656 4.340 -0.000 0.000 0.249 234 L C -0.149 176.668 176.870 -0.088 0.000 1.276 234 L CA -0.003 54.623 54.840 -0.356 0.000 1.199 234 L CB -0.944 40.895 42.059 -0.366 0.000 1.407 234 L HN 0.240 nan 8.230 nan 0.000 0.410 235 H N -1.707 117.320 119.070 -0.071 0.000 2.585 235 H HA 0.515 5.071 4.556 -0.000 0.000 0.338 235 H C 1.238 176.568 175.328 0.003 0.000 1.295 235 H CA -0.334 55.703 56.048 -0.019 0.000 1.356 235 H CB 0.063 29.791 29.762 -0.057 0.000 1.736 235 H HN 0.232 nan 8.280 nan 0.000 0.629 236 T N -3.472 111.145 114.554 0.106 0.000 3.007 236 T HA -0.024 4.326 4.350 -0.000 0.000 0.270 236 T C 1.863 176.545 174.700 -0.031 0.000 1.107 236 T CA 0.601 62.720 62.100 0.032 0.000 1.118 236 T CB -0.697 68.179 68.868 0.013 0.000 0.889 236 T HN 0.785 nan 8.240 nan 0.000 0.506 237 G N 0.159 109.006 108.800 0.078 0.000 2.985 237 G HA2 0.142 4.102 3.960 -0.000 0.000 0.209 237 G HA3 0.142 4.102 3.960 -0.000 0.000 0.209 237 G C 1.155 175.917 174.900 -0.231 0.000 1.165 237 G CA 0.182 45.287 45.100 0.009 0.000 0.776 237 G HN 0.521 nan 8.290 nan 0.000 0.541 238 S N -0.079 115.343 115.700 -0.463 0.000 2.601 238 S HA 0.482 4.951 4.470 -0.000 0.000 0.244 238 S C 0.063 174.477 174.600 -0.311 0.000 1.001 238 S CA -0.499 57.459 58.200 -0.403 0.000 0.984 238 S CB -0.162 62.711 63.200 -0.545 0.000 0.842 238 S HN 0.178 nan 8.310 nan 0.000 0.474 239 I N 1.234 121.616 120.570 -0.313 0.000 2.619 239 I HA 0.445 4.614 4.170 -0.000 0.000 0.292 239 I C -1.280 174.662 176.117 -0.292 0.000 1.100 239 I CA -0.796 60.342 61.300 -0.270 0.000 1.043 239 I CB 1.952 39.800 38.000 -0.253 0.000 1.239 239 I HN 0.011 nan 8.210 nan 0.000 0.420 240 F N 3.992 123.833 119.950 -0.182 0.000 2.399 240 F HA 0.776 5.303 4.527 -0.000 0.000 0.334 240 F C 0.456 176.113 175.800 -0.238 0.000 1.097 240 F CA -0.180 57.713 58.000 -0.179 0.000 1.076 240 F CB 1.830 40.739 39.000 -0.151 0.000 1.162 240 F HN 0.475 nan 8.300 nan 0.000 0.495 241 A N 1.987 124.757 122.820 -0.082 0.000 2.549 241 A HA 0.810 5.130 4.320 -0.000 0.000 0.297 241 A C -0.975 176.494 177.584 -0.191 0.000 1.061 241 A CA -0.282 51.553 52.037 -0.337 0.000 0.690 241 A CB 1.578 19.984 19.000 -0.990 0.000 1.287 241 A HN 0.800 nan 8.150 nan 0.000 0.402 242 S N -0.011 115.676 115.700 -0.022 0.000 2.840 242 S HA 0.557 5.027 4.470 -0.000 0.000 0.307 242 S C 0.790 175.576 174.600 0.310 0.000 1.180 242 S CA 0.332 58.676 58.200 0.239 0.000 0.846 242 S CB 0.965 64.297 63.200 0.220 0.000 1.233 242 S HN 0.979 nan 8.310 nan 0.000 0.548 243 E N 0.616 120.962 120.200 0.243 0.000 2.114 243 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 243 E C 1.176 177.751 176.600 -0.042 0.000 1.008 243 E CA 2.425 58.838 56.400 0.022 0.000 0.810 243 E CB -0.235 29.360 29.700 -0.174 0.000 0.739 243 E HN 0.714 nan 8.360 nan 0.000 0.456 244 H N -1.368 117.880 119.070 0.297 0.000 2.986 244 H HA 0.381 4.937 4.556 -0.000 0.000 0.267 244 H C -0.059 175.455 175.328 0.311 0.000 1.072 244 H CA 0.077 56.302 56.048 0.294 0.000 1.202 244 H CB 0.700 30.573 29.762 0.186 0.000 1.535 244 H HN 0.166 nan 8.280 nan 0.000 0.522 245 E N 1.035 121.446 120.200 0.351 0.000 2.288 245 E HA 0.443 4.793 4.350 -0.000 0.000 0.268 245 E C -0.806 175.910 176.600 0.194 0.000 0.885 245 E CA -0.564 55.983 56.400 0.246 0.000 0.767 245 E CB 2.713 32.527 29.700 0.189 0.000 1.220 245 E HN -0.068 nan 8.360 nan 0.000 0.427 246 T N 2.387 117.020 114.554 0.131 0.000 2.971 246 T HA 0.424 4.774 4.350 -0.000 0.000 0.304 246 T C -1.004 173.666 174.700 -0.050 0.000 1.038 246 T CA -1.054 61.077 62.100 0.051 0.000 1.007 246 T CB 1.277 70.239 68.868 0.156 0.000 1.055 246 T HN 0.146 nan 8.240 nan 0.000 0.451 247 K N 2.190 122.559 120.400 -0.053 0.000 2.482 247 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 247 K C -1.030 175.505 176.600 -0.110 0.000 0.936 247 K CA -0.705 55.542 56.287 -0.065 0.000 0.791 247 K CB 2.769 35.271 32.500 0.003 0.000 1.213 247 K HN 0.384 nan 8.250 nan 0.000 0.428 248 V N 4.475 124.241 119.914 -0.246 0.000 2.509 248 V HA 0.495 4.615 4.120 -0.000 0.000 0.284 248 V C 0.517 176.572 176.094 -0.065 0.000 1.047 248 V CA -0.635 61.464 62.300 -0.336 0.000 0.952 248 V CB 0.904 32.179 31.823 -0.914 0.000 0.988 248 V HN 0.749 nan 8.190 nan 0.000 0.469 249 I N -0.005 120.582 120.570 0.028 0.000 3.239 249 I HA 0.759 4.929 4.170 -0.000 0.000 0.314 249 I C -0.090 176.140 176.117 0.189 0.000 1.126 249 I CA -0.949 60.426 61.300 0.126 0.000 0.973 249 I CB 1.948 40.044 38.000 0.159 0.000 1.252 249 I HN 0.518 nan 8.210 nan 0.000 0.463 250 D N 1.693 122.176 120.400 0.137 0.000 2.716 250 D HA -0.087 4.553 4.640 -0.000 0.000 0.239 250 D C -2.058 174.272 176.300 0.050 0.000 1.125 250 D CA 0.444 54.519 54.000 0.124 0.000 0.681 250 D CB -0.500 40.385 40.800 0.141 0.000 1.070 250 D HN 0.598 nan 8.370 nan 0.000 0.432 251 P HA 0.101 nan 4.420 nan 0.000 0.226 251 P C 0.605 177.861 177.300 -0.073 0.000 1.758 251 P CA 0.041 62.883 63.100 -0.431 0.000 0.896 251 P CB 0.059 31.562 31.700 -0.328 0.000 1.784 252 E N -0.674 119.560 120.200 0.058 0.000 2.274 252 E HA -0.052 4.297 4.350 -0.000 0.000 0.194 252 E C 0.509 177.118 176.600 0.016 0.000 0.996 252 E CA 0.890 57.311 56.400 0.035 0.000 0.840 252 E CB -0.246 29.448 29.700 -0.011 0.000 0.772 252 E HN 0.360 nan 8.360 nan 0.000 0.491 253 F N 0.736 120.740 119.950 0.091 0.000 2.773 253 F HA 0.202 4.729 4.527 -0.000 0.000 0.304 253 F C 0.927 176.872 175.800 0.242 0.000 1.129 253 F CA -0.373 57.726 58.000 0.166 0.000 1.378 253 F CB 0.081 39.227 39.000 0.244 0.000 1.095 253 F HN -0.162 nan 8.300 nan 0.000 0.565 254 A N 1.430 124.432 122.820 0.303 0.000 2.546 254 A HA 0.365 4.685 4.320 -0.000 0.000 0.243 254 A C -0.254 177.574 177.584 0.407 0.000 1.063 254 A CA 0.314 52.507 52.037 0.261 0.000 0.757 254 A CB -0.664 18.391 19.000 0.092 0.000 0.991 254 A HN 0.481 nan 8.150 nan 0.000 0.503 255 F N -0.071 119.900 119.950 0.036 0.000 2.877 255 F HA 0.583 5.109 4.527 -0.001 0.000 0.319 255 F C -1.377 174.400 175.800 -0.038 0.000 1.174 255 F CA -1.565 56.479 58.000 0.073 0.000 0.903 255 F CB 1.008 40.041 39.000 0.054 0.000 1.357 255 F HN 0.349 nan 8.300 nan 0.000 0.472 256 Y N 1.686 121.789 120.300 -0.330 0.000 2.539 256 Y HA 0.572 5.121 4.550 -0.000 0.000 0.352 256 Y C 0.642 176.010 175.900 -0.886 0.000 1.004 256 Y CA 0.745 58.563 58.100 -0.469 0.000 1.278 256 Y CB 0.824 39.184 38.460 -0.168 0.000 1.136 256 Y HN 0.885 nan 8.280 nan 0.000 0.528 257 G N 4.185 112.427 108.800 -0.930 0.000 2.975 257 G HA2 0.484 4.444 3.960 -0.000 0.000 0.291 257 G HA3 0.484 4.444 3.960 -0.000 0.000 0.291 257 G C -3.214 171.493 174.900 -0.321 0.000 1.334 257 G CA -1.825 42.757 45.100 -0.865 0.000 0.843 257 G HN 0.155 nan 8.290 nan 0.000 0.548 258 P HA 0.224 nan 4.420 nan 0.000 0.271 258 P C 1.032 178.437 177.300 0.175 0.000 1.216 258 P CA -0.179 63.006 63.100 0.141 0.000 0.771 258 P CB 1.150 33.076 31.700 0.377 0.000 0.864 259 I N 2.215 122.907 120.570 0.203 0.000 2.248 259 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 259 I C 2.370 178.597 176.117 0.184 0.000 1.107 259 I CA 2.053 63.470 61.300 0.196 0.000 1.373 259 I CB -0.879 37.281 38.000 0.267 0.000 1.055 259 I HN 0.481 nan 8.210 nan 0.000 0.418 260 G N -0.247 108.725 108.800 0.287 0.000 2.679 260 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.212 260 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.212 260 G C 1.459 176.598 174.900 0.398 0.000 1.137 260 G CA -0.096 45.187 45.100 0.304 0.000 0.787 260 G HN 0.334 nan 8.290 nan 0.000 0.534 261 F N 1.456 121.513 119.950 0.179 0.000 2.128 261 F HA 0.004 4.531 4.527 -0.000 0.000 0.295 261 F C 2.148 177.988 175.800 0.068 0.000 1.100 261 F CA 1.485 59.468 58.000 -0.028 0.000 1.260 261 F CB 0.219 39.090 39.000 -0.216 0.000 1.009 261 F HN 0.058 nan 8.300 nan 0.000 0.476 262 D N 0.060 120.550 120.400 0.150 0.000 2.144 262 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 262 D C 2.480 178.785 176.300 0.007 0.000 0.984 262 D CA 1.529 55.572 54.000 0.072 0.000 0.834 262 D CB -0.533 40.362 40.800 0.159 0.000 0.955 262 D HN 0.212 nan 8.370 nan 0.000 0.465 263 V N 0.710 120.615 119.914 -0.016 0.000 2.343 263 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 263 V C 2.511 178.646 176.094 0.068 0.000 1.051 263 V CA 2.016 64.309 62.300 -0.012 0.000 1.036 263 V CB -1.038 30.690 31.823 -0.158 0.000 0.654 263 V HN 0.241 nan 8.190 nan 0.000 0.451 264 G N -1.509 107.312 108.800 0.035 0.000 2.394 264 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 264 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 264 G C 1.531 176.403 174.900 -0.046 0.000 1.165 264 G CA 0.509 45.627 45.100 0.029 0.000 0.784 264 G HN 0.492 nan 8.290 nan 0.000 0.535 265 Q N -0.865 118.812 119.800 -0.206 0.000 2.124 265 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 265 Q C 2.183 178.154 176.000 -0.049 0.000 0.977 265 Q CA 0.994 56.669 55.803 -0.213 0.000 0.850 265 Q CB -0.221 28.288 28.738 -0.381 0.000 0.901 265 Q HN 0.574 nan 8.270 nan 0.000 0.429 266 F N 0.790 120.660 119.950 -0.133 0.000 2.102 266 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 266 F C 1.965 177.709 175.800 -0.093 0.000 1.105 266 F CA 1.098 59.033 58.000 -0.108 0.000 1.239 266 F CB 0.018 38.954 39.000 -0.106 0.000 0.991 266 F HN -0.029 nan 8.300 nan 0.000 0.474 267 I N 0.195 120.687 120.570 -0.130 0.000 2.226 267 I HA -0.327 3.842 4.170 -0.000 0.000 0.245 267 I C 2.695 178.683 176.117 -0.216 0.000 1.100 267 I CA 1.186 62.342 61.300 -0.241 0.000 1.374 267 I CB -0.757 37.213 38.000 -0.050 0.000 1.057 267 I HN 0.256 nan 8.210 nan 0.000 0.413 268 A N 0.656 123.467 122.820 -0.016 0.000 1.908 268 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 268 A C 2.044 179.604 177.584 -0.040 0.000 1.181 268 A CA 1.934 54.027 52.037 0.093 0.000 0.627 268 A CB -0.783 18.250 19.000 0.056 0.000 0.818 268 A HN 0.476 nan 8.150 nan 0.000 0.445 269 N N -0.314 118.286 118.700 -0.167 0.000 2.381 269 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 269 N C 1.574 176.916 175.510 -0.281 0.000 1.025 269 N CA 1.003 53.939 53.050 -0.189 0.000 0.888 269 N CB -0.165 38.234 38.487 -0.145 0.000 0.965 269 N HN 0.504 nan 8.380 nan 0.000 0.438 270 L N -0.542 120.405 121.223 -0.460 0.000 2.131 270 L HA -0.036 4.303 4.340 -0.000 0.000 0.206 270 L C 1.808 178.457 176.870 -0.368 0.000 1.087 270 L CA 0.726 55.280 54.840 -0.477 0.000 0.767 270 L CB -0.333 41.333 42.059 -0.655 0.000 0.917 270 L HN -0.015 nan 8.230 nan 0.000 0.441 271 F N 0.085 119.862 119.950 -0.287 0.000 2.234 271 F HA -0.129 4.397 4.527 -0.000 0.000 0.299 271 F C 2.235 177.940 175.800 -0.157 0.000 1.087 271 F CA 1.010 58.795 58.000 -0.359 0.000 1.340 271 F CB -0.608 38.106 39.000 -0.477 0.000 1.031 271 F HN -0.073 nan 8.300 nan 0.000 0.500 272 L N -0.400 120.851 121.223 0.047 0.000 2.083 272 L HA -0.242 4.097 4.340 -0.000 0.000 0.209 272 L C 2.462 179.319 176.870 -0.022 0.000 1.083 272 L CA 1.377 56.223 54.840 0.010 0.000 0.752 272 L CB -0.622 41.415 42.059 -0.036 0.000 0.899 272 L HN 0.221 nan 8.230 nan 0.000 0.433 273 N N 0.080 118.739 118.700 -0.068 0.000 2.216 273 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 273 N C 1.885 177.343 175.510 -0.086 0.000 1.017 273 N CA 1.132 54.135 53.050 -0.077 0.000 0.861 273 N CB 0.185 38.616 38.487 -0.094 0.000 0.986 273 N HN 0.302 nan 8.380 nan 0.000 0.428 274 A N 1.727 124.478 122.820 -0.114 0.000 1.908 274 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 274 A C 2.304 179.881 177.584 -0.013 0.000 1.181 274 A CA 0.923 52.869 52.037 -0.152 0.000 0.627 274 A CB -0.804 18.037 19.000 -0.264 0.000 0.818 274 A HN 0.331 nan 8.150 nan 0.000 0.445 275 L N 0.408 121.682 121.223 0.084 0.000 2.191 275 L HA -0.151 4.188 4.340 -0.000 0.000 0.212 275 L C 2.830 179.695 176.870 -0.008 0.000 1.103 275 L CA 1.436 56.320 54.840 0.073 0.000 0.769 275 L CB -0.277 41.835 42.059 0.088 0.000 0.908 275 L HN 0.652 nan 8.230 nan 0.000 0.438 276 S N -0.966 114.718 115.700 -0.026 0.000 2.522 276 S HA 0.020 4.490 4.470 -0.000 0.000 0.227 276 S C 1.110 175.683 174.600 -0.044 0.000 0.986 276 S CA -0.171 58.004 58.200 -0.042 0.000 0.929 276 S CB 0.072 63.246 63.200 -0.043 0.000 0.769 276 S HN 0.310 nan 8.310 nan 0.000 0.529 277 R N 0.442 120.913 120.500 -0.049 0.000 2.700 277 R HA 0.647 4.986 4.340 -0.000 0.000 0.253 277 R C -1.393 174.883 176.300 -0.041 0.000 1.091 277 R CA -0.735 55.332 56.100 -0.055 0.000 1.104 277 R CB 0.364 30.614 30.300 -0.083 0.000 1.202 277 R HN 0.211 nan 8.270 nan 0.000 0.532 278 D N -1.057 119.321 120.400 -0.038 0.000 2.619 278 D HA 0.408 5.048 4.640 -0.000 0.000 0.241 278 D C 0.469 176.759 176.300 -0.017 0.000 1.087 278 D CA 0.496 54.483 54.000 -0.023 0.000 0.851 278 D CB 1.838 42.625 40.800 -0.023 0.000 1.474 278 D HN 0.646 nan 8.370 nan 0.000 0.478 279 G N 1.394 110.197 108.800 0.004 0.000 2.611 279 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.301 279 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.301 279 G C 1.099 176.009 174.900 0.017 0.000 1.233 279 G CA 0.781 45.890 45.100 0.015 0.000 0.993 279 G HN 0.848 nan 8.290 nan 0.000 0.553 280 A N -0.506 122.317 122.820 0.005 0.000 2.168 280 A HA 0.217 4.537 4.320 -0.000 0.000 0.215 280 A C 1.811 179.377 177.584 -0.030 0.000 1.152 280 A CA 2.082 54.120 52.037 0.002 0.000 0.716 280 A CB -0.328 18.671 19.000 -0.001 0.000 0.794 280 A HN 0.571 nan 8.150 nan 0.000 0.465 281 D N -0.117 120.256 120.400 -0.046 0.000 2.348 281 D HA -0.055 4.585 4.640 -0.000 0.000 0.216 281 D C 1.844 178.071 176.300 -0.121 0.000 0.970 281 D CA 0.639 54.595 54.000 -0.074 0.000 0.889 281 D CB -0.236 40.525 40.800 -0.066 0.000 0.912 281 D HN 0.456 nan 8.370 nan 0.000 0.524 282 R N 0.469 120.884 120.500 -0.142 0.000 2.193 282 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 282 R C 1.741 177.793 176.300 -0.414 0.000 1.055 282 R CA 0.488 56.394 56.100 -0.323 0.000 0.995 282 R CB 0.185 30.281 30.300 -0.340 0.000 0.893 282 R HN 0.096 nan 8.270 nan 0.000 0.459 283 E N 0.320 120.429 120.200 -0.152 0.000 2.077 283 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 283 E C -0.868 175.664 176.600 -0.114 0.000 0.989 283 E CA 1.203 57.585 56.400 -0.029 0.000 0.800 283 E CB -1.225 28.493 29.700 0.030 0.000 0.746 283 E HN 0.294 nan 8.360 nan 0.000 0.452 284 P HA -0.125 nan 4.420 nan 0.000 0.218 284 P C 1.483 178.555 177.300 -0.381 0.000 1.148 284 P CA 0.881 63.810 63.100 -0.286 0.000 0.822 284 P CB 0.043 31.602 31.700 -0.235 0.000 0.784 285 L N -2.439 118.616 121.223 -0.281 0.000 2.131 285 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 285 L C 2.417 179.165 176.870 -0.203 0.000 1.087 285 L CA 1.727 56.428 54.840 -0.232 0.000 0.767 285 L CB -1.633 40.232 42.059 -0.324 0.000 0.917 285 L HN 0.100 nan 8.230 nan 0.000 0.441 286 Y N 0.218 120.429 120.300 -0.149 0.000 2.242 286 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 286 Y C 2.639 178.471 175.900 -0.113 0.000 1.137 286 Y CA 0.244 58.269 58.100 -0.126 0.000 1.181 286 Y CB 0.174 38.617 38.460 -0.029 0.000 0.989 286 Y HN 0.186 nan 8.280 nan 0.000 0.527 287 E N -0.474 119.737 120.200 0.018 0.000 2.150 287 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 287 E C 1.821 178.401 176.600 -0.033 0.000 0.985 287 E CA 1.030 57.403 56.400 -0.046 0.000 0.814 287 E CB -0.306 29.312 29.700 -0.137 0.000 0.752 287 E HN 0.579 nan 8.360 nan 0.000 0.466 288 H N -0.046 119.006 119.070 -0.031 0.000 2.389 288 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 288 H C 2.289 177.600 175.328 -0.028 0.000 1.081 288 H CA 0.834 56.867 56.048 -0.025 0.000 1.345 288 H CB -0.255 29.468 29.762 -0.066 0.000 1.393 288 H HN -0.028 nan 8.280 nan 0.000 0.520 289 V N 1.390 121.298 119.914 -0.009 0.000 2.343 289 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 289 V C 2.338 178.473 176.094 0.070 0.000 1.051 289 V CA 1.983 64.222 62.300 -0.101 0.000 1.036 289 V CB -0.537 31.047 31.823 -0.398 0.000 0.654 289 V HN 0.412 nan 8.190 nan 0.000 0.451 290 N N 0.177 118.927 118.700 0.083 0.000 2.084 290 N HA -0.239 4.500 4.740 -0.000 0.000 0.190 290 N C 1.876 177.490 175.510 0.175 0.000 1.030 290 N CA 1.733 54.861 53.050 0.130 0.000 0.849 290 N CB -0.218 38.320 38.487 0.086 0.000 1.012 290 N HN 0.391 nan 8.380 nan 0.000 0.423 291 Q N -0.024 119.866 119.800 0.149 0.000 2.167 291 Q HA -0.004 4.335 4.340 -0.000 0.000 0.202 291 Q C 1.920 178.024 176.000 0.174 0.000 0.970 291 Q CA 0.992 56.885 55.803 0.148 0.000 0.855 291 Q CB -0.563 28.264 28.738 0.147 0.000 0.911 291 Q HN 0.327 nan 8.270 nan 0.000 0.438 292 V N -0.085 119.962 119.914 0.222 0.000 2.379 292 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 292 V C 1.742 177.989 176.094 0.256 0.000 1.044 292 V CA 1.754 64.200 62.300 0.243 0.000 1.036 292 V CB -0.435 31.594 31.823 0.343 0.000 0.664 292 V HN 0.718 nan 8.190 nan 0.000 0.453 293 W N 0.716 122.113 121.300 0.162 0.000 2.355 293 W HA -0.164 4.495 4.660 -0.000 0.000 0.309 293 W C 2.248 178.870 176.519 0.170 0.000 1.206 293 W CA 1.991 59.450 57.345 0.190 0.000 1.284 293 W CB -0.195 29.356 29.460 0.151 0.000 1.145 293 W HN 0.360 nan 8.180 nan 0.000 0.502 294 E N -0.440 119.826 120.200 0.109 0.000 2.070 294 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 294 E C 2.013 178.553 176.600 -0.099 0.000 1.004 294 E CA 2.449 58.848 56.400 -0.001 0.000 0.805 294 E CB -0.342 29.403 29.700 0.075 0.000 0.744 294 E HN 0.209 nan 8.360 nan 0.000 0.451 295 T N 0.753 115.294 114.554 -0.022 0.000 2.851 295 T HA -0.110 4.240 4.350 -0.000 0.000 0.262 295 T C 1.481 176.144 174.700 -0.062 0.000 1.043 295 T CA 0.767 62.860 62.100 -0.012 0.000 1.140 295 T CB -0.375 68.532 68.868 0.066 0.000 0.872 295 T HN 0.177 nan 8.240 nan 0.000 0.446 296 F N 2.438 122.258 119.950 -0.216 0.000 2.091 296 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 296 F C 2.390 177.967 175.800 -0.372 0.000 1.103 296 F CA 1.934 59.762 58.000 -0.288 0.000 1.228 296 F CB -0.378 38.380 39.000 -0.404 0.000 0.984 296 F HN 0.203 nan 8.300 nan 0.000 0.477 297 E N 0.151 119.862 120.200 -0.815 0.000 2.077 297 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 297 E C 2.252 178.580 176.600 -0.453 0.000 0.989 297 E CA 1.646 57.576 56.400 -0.783 0.000 0.800 297 E CB -0.323 28.997 29.700 -0.633 0.000 0.746 297 E HN 0.603 nan 8.360 nan 0.000 0.452 298 E N 0.242 120.257 120.200 -0.309 0.000 2.047 298 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 298 E C 2.061 178.545 176.600 -0.193 0.000 0.987 298 E CA 1.742 58.026 56.400 -0.194 0.000 0.799 298 E CB -1.372 28.259 29.700 -0.115 0.000 0.752 298 E HN 0.379 nan 8.360 nan 0.000 0.449 299 T N -0.305 114.132 114.554 -0.195 0.000 2.737 299 T HA -0.021 4.328 4.350 -0.000 0.000 0.265 299 T C 1.754 176.322 174.700 -0.220 0.000 1.038 299 T CA 1.136 63.148 62.100 -0.145 0.000 1.144 299 T CB -0.458 68.374 68.868 -0.059 0.000 0.866 299 T HN 0.449 nan 8.240 nan 0.000 0.434 300 F N 1.894 121.528 119.950 -0.526 0.000 2.161 300 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 300 F C 2.510 178.016 175.800 -0.489 0.000 1.089 300 F CA 1.181 58.843 58.000 -0.564 0.000 1.282 300 F CB -0.202 38.243 39.000 -0.926 0.000 1.010 300 F HN 0.050 nan 8.300 nan 0.000 0.485 301 S N -0.084 115.453 115.700 -0.270 0.000 2.371 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 301 S C 2.265 176.718 174.600 -0.244 0.000 1.029 301 S CA 1.181 59.222 58.200 -0.266 0.000 0.978 301 S CB -0.767 62.296 63.200 -0.227 0.000 0.833 301 S HN 0.609 nan 8.310 nan 0.000 0.466 302 E N 1.704 121.768 120.200 -0.227 0.000 2.031 302 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 302 E C 2.218 178.661 176.600 -0.262 0.000 0.994 302 E CA 1.527 57.821 56.400 -0.178 0.000 0.800 302 E CB -1.325 28.303 29.700 -0.119 0.000 0.752 302 E HN 0.568 nan 8.360 nan 0.000 0.447 303 A N 0.166 122.723 122.820 -0.438 0.000 1.892 303 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 303 A C 2.248 179.139 177.584 -1.155 0.000 1.188 303 A CA 1.975 53.551 52.037 -0.768 0.000 0.631 303 A CB -1.040 17.294 19.000 -1.109 0.000 0.822 303 A HN 0.816 nan 8.150 nan 0.000 0.447 304 W N 0.769 121.175 121.300 -1.491 0.000 2.321 304 W HA -0.211 4.448 4.660 -0.000 0.000 0.306 304 W C 1.880 178.162 176.519 -0.395 0.000 1.217 304 W CA 2.348 59.124 57.345 -0.949 0.000 1.257 304 W CB -0.342 28.703 29.460 -0.691 0.000 1.145 304 W HN 0.462 nan 8.180 nan 0.000 0.509 305 Q N 0.211 120.016 119.800 0.009 0.000 2.187 305 Q HA -0.098 4.242 4.340 -0.000 0.000 0.199 305 Q C 2.463 178.442 176.000 -0.035 0.000 0.957 305 Q CA 2.380 58.212 55.803 0.048 0.000 0.857 305 Q CB -0.892 27.875 28.738 0.048 0.000 0.929 305 Q HN 0.483 nan 8.270 nan 0.000 0.453 306 K N 0.963 121.312 120.400 -0.084 0.000 2.137 306 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 306 K C 1.115 177.709 176.600 -0.010 0.000 1.052 306 K CA 1.434 57.698 56.287 -0.039 0.000 0.961 306 K CB 0.138 32.623 32.500 -0.025 0.000 0.741 306 K HN 0.095 nan 8.250 nan 0.000 0.452 307 D N -0.837 119.543 120.400 -0.033 0.000 2.540 307 D HA 0.152 4.792 4.640 -0.000 0.000 0.229 307 D C -0.527 175.855 176.300 0.136 0.000 1.250 307 D CA -0.052 54.011 54.000 0.104 0.000 0.817 307 D CB 0.644 41.624 40.800 0.299 0.000 1.060 307 D HN 0.241 nan 8.370 nan 0.000 0.508 308 S N 0.509 116.223 115.700 0.023 0.000 2.549 308 S HA 0.226 4.696 4.470 -0.000 0.000 0.279 308 S C 1.385 175.945 174.600 -0.067 0.000 1.321 308 S CA -0.267 57.901 58.200 -0.053 0.000 1.054 308 S CB 0.595 63.549 63.200 -0.410 0.000 0.899 308 S HN 0.139 nan 8.310 nan 0.000 0.497 309 L N 2.214 123.397 121.223 -0.067 0.000 2.513 309 L HA 0.228 4.568 4.340 -0.000 0.000 0.222 309 L C 0.629 177.471 176.870 -0.045 0.000 1.096 309 L CA -0.063 54.751 54.840 -0.044 0.000 0.857 309 L CB -0.137 41.901 42.059 -0.035 0.000 1.026 309 L HN 0.540 nan 8.230 nan 0.000 0.469 310 D N 0.788 121.156 120.400 -0.052 0.000 2.450 310 D HA -0.008 4.632 4.640 -0.000 0.000 0.247 310 D C 1.351 177.645 176.300 -0.010 0.000 1.162 310 D CA 0.106 54.109 54.000 0.006 0.000 0.879 310 D CB 1.656 42.490 40.800 0.056 0.000 1.163 310 D HN -0.014 nan 8.370 nan 0.000 0.472 311 V N 2.849 122.732 119.914 -0.053 0.000 2.626 311 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 311 V C 1.684 177.707 176.094 -0.118 0.000 1.067 311 V CA 1.103 63.324 62.300 -0.132 0.000 1.081 311 V CB -1.350 30.324 31.823 -0.248 0.000 0.686 311 V HN 0.584 nan 8.190 nan 0.000 0.468 312 Y N 0.906 121.211 120.300 0.009 0.000 2.561 312 Y HA 0.353 4.902 4.550 -0.000 0.000 0.291 312 Y C 2.664 178.676 175.900 0.186 0.000 1.141 312 Y CA 0.495 58.594 58.100 -0.002 0.000 1.303 312 Y CB -0.259 38.097 38.460 -0.173 0.000 1.015 312 Y HN 0.298 nan 8.280 nan 0.000 0.547 313 A N 0.673 123.685 122.820 0.320 0.000 1.908 313 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 313 A C 1.737 179.627 177.584 0.510 0.000 1.181 313 A CA 2.014 54.248 52.037 0.328 0.000 0.627 313 A CB -0.457 18.422 19.000 -0.202 0.000 0.818 313 A HN 0.359 nan 8.150 nan 0.000 0.445 314 N N -0.067 118.809 118.700 0.294 0.000 2.336 314 N HA 0.132 4.872 4.740 -0.000 0.000 0.189 314 N C -0.107 175.535 175.510 0.220 0.000 1.113 314 N CA 0.025 53.220 53.050 0.241 0.000 0.858 314 N CB 0.037 38.603 38.487 0.133 0.000 0.970 314 N HN 0.335 nan 8.380 nan 0.000 0.471 315 I N 1.294 122.023 120.570 0.267 0.000 2.533 315 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 315 I C 0.510 176.758 176.117 0.219 0.000 1.109 315 I CA -0.386 61.043 61.300 0.214 0.000 1.412 315 I CB -0.302 37.823 38.000 0.209 0.000 1.396 315 I HN -0.050 nan 8.210 nan 0.000 0.543 316 D N 4.738 125.225 120.400 0.145 0.000 2.472 316 D HA 0.328 4.968 4.640 -0.000 0.000 0.248 316 D C 1.065 177.436 176.300 0.117 0.000 1.174 316 D CA 1.724 55.791 54.000 0.112 0.000 0.883 316 D CB 0.476 41.321 40.800 0.075 0.000 1.149 316 D HN 0.863 nan 8.370 nan 0.000 0.488 317 G N 2.713 111.575 108.800 0.102 0.000 2.232 317 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.226 317 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.226 317 G C 0.802 175.787 174.900 0.141 0.000 0.996 317 G CA 0.278 45.432 45.100 0.090 0.000 0.626 317 G HN 0.551 nan 8.290 nan 0.000 0.509 318 Y N 1.157 121.491 120.300 0.057 0.000 2.184 318 Y HA 0.251 4.801 4.550 -0.000 0.000 0.290 318 Y C 2.590 178.463 175.900 -0.044 0.000 1.129 318 Y CA 2.009 60.161 58.100 0.087 0.000 1.144 318 Y CB -0.531 38.065 38.460 0.228 0.000 0.995 318 Y HN 0.359 nan 8.280 nan 0.000 0.513 319 L N -0.066 120.958 121.223 -0.333 0.000 2.012 319 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 319 L C 2.143 178.692 176.870 -0.535 0.000 1.073 319 L CA 2.750 57.026 54.840 -0.941 0.000 0.748 319 L CB -1.381 40.063 42.059 -1.024 0.000 0.891 319 L HN 0.273 nan 8.230 nan 0.000 0.431 320 T N -0.430 113.967 114.554 -0.262 0.000 2.684 320 T HA -0.183 4.166 4.350 -0.000 0.000 0.267 320 T C 1.529 176.180 174.700 -0.081 0.000 1.036 320 T CA 1.697 63.714 62.100 -0.139 0.000 1.148 320 T CB -0.415 68.415 68.868 -0.063 0.000 0.863 320 T HN 0.395 nan 8.240 nan 0.000 0.436 321 D N 0.555 120.931 120.400 -0.040 0.000 2.178 321 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 321 D C 2.352 178.665 176.300 0.021 0.000 0.974 321 D CA 0.981 54.999 54.000 0.030 0.000 0.841 321 D CB -0.518 40.340 40.800 0.097 0.000 0.953 321 D HN 0.332 nan 8.370 nan 0.000 0.478 322 T N 0.949 115.430 114.554 -0.122 0.000 2.674 322 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 322 T C 2.232 176.925 174.700 -0.012 0.000 1.039 322 T CA 0.584 62.616 62.100 -0.113 0.000 1.150 322 T CB -0.345 68.271 68.868 -0.419 0.000 0.864 322 T HN 0.114 nan 8.240 nan 0.000 0.427 323 L N 0.981 122.140 121.223 -0.106 0.000 2.042 323 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 323 L C 2.847 179.843 176.870 0.209 0.000 1.076 323 L CA 1.076 55.930 54.840 0.023 0.000 0.749 323 L CB -0.591 41.442 42.059 -0.044 0.000 0.893 323 L HN 0.245 nan 8.230 nan 0.000 0.432 324 S N -1.531 114.255 115.700 0.142 0.000 2.382 324 S HA -0.264 4.205 4.470 -0.000 0.000 0.228 324 S C 1.875 176.609 174.600 0.223 0.000 1.027 324 S CA 1.479 59.789 58.200 0.184 0.000 0.991 324 S CB -0.430 62.843 63.200 0.122 0.000 0.823 324 S HN 0.547 nan 8.310 nan 0.000 0.469 325 H N 1.256 120.401 119.070 0.125 0.000 2.357 325 H HA 0.128 4.684 4.556 -0.000 0.000 0.301 325 H C 1.814 177.226 175.328 0.141 0.000 1.082 325 H CA 1.444 57.562 56.048 0.116 0.000 1.342 325 H CB -0.309 29.521 29.762 0.113 0.000 1.389 325 H HN 0.332 nan 8.280 nan 0.000 0.511 326 I N -0.506 120.153 120.570 0.149 0.000 2.226 326 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 326 I C 2.010 178.238 176.117 0.185 0.000 1.100 326 I CA 1.089 62.489 61.300 0.166 0.000 1.374 326 I CB -0.371 37.796 38.000 0.277 0.000 1.057 326 I HN 0.241 nan 8.210 nan 0.000 0.413 327 F N 1.843 121.841 119.950 0.080 0.000 2.095 327 F HA -0.275 4.251 4.527 -0.000 0.000 0.298 327 F C 2.555 178.191 175.800 -0.273 0.000 1.104 327 F CA 2.178 60.001 58.000 -0.296 0.000 1.232 327 F CB -0.416 38.326 39.000 -0.430 0.000 0.987 327 F HN 0.103 nan 8.300 nan 0.000 0.475 328 E N -0.013 120.032 120.200 -0.258 0.000 2.051 328 E HA -0.230 4.119 4.350 -0.000 0.000 0.192 328 E C 2.124 178.506 176.600 -0.363 0.000 0.991 328 E CA 1.595 57.797 56.400 -0.330 0.000 0.799 328 E CB -0.276 29.332 29.700 -0.153 0.000 0.748 328 E HN 0.601 nan 8.360 nan 0.000 0.449 329 E N 0.144 120.128 120.200 -0.360 0.000 2.072 329 E HA -0.175 4.174 4.350 -0.000 0.000 0.191 329 E C 2.095 178.492 176.600 -0.338 0.000 0.985 329 E CA 0.730 56.868 56.400 -0.436 0.000 0.801 329 E CB -0.140 29.361 29.700 -0.332 0.000 0.750 329 E HN 0.348 nan 8.360 nan 0.000 0.452 330 A N 1.728 124.481 122.820 -0.112 0.000 1.892 330 A HA -0.225 4.094 4.320 -0.000 0.000 0.218 330 A C 2.111 179.601 177.584 -0.156 0.000 1.188 330 A CA 1.427 53.458 52.037 -0.011 0.000 0.631 330 A CB -0.527 18.461 19.000 -0.020 0.000 0.822 330 A HN 0.132 nan 8.150 nan 0.000 0.447 331 I N -0.067 120.256 120.570 -0.412 0.000 2.252 331 I HA -0.158 4.011 4.170 -0.000 0.000 0.245 331 I C 2.680 178.681 176.117 -0.193 0.000 1.102 331 I CA 1.326 62.346 61.300 -0.467 0.000 1.385 331 I CB -2.137 35.429 38.000 -0.722 0.000 1.064 331 I HN 0.335 nan 8.210 nan 0.000 0.414 332 G N 0.447 109.121 108.800 -0.211 0.000 2.418 332 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 332 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 332 G C 1.532 176.433 174.900 0.001 0.000 1.158 332 G CA 0.330 45.350 45.100 -0.134 0.000 0.771 332 G HN 0.215 nan 8.290 nan 0.000 0.545 333 F N 1.816 121.835 119.950 0.114 0.000 2.234 333 F HA 0.134 4.661 4.527 -0.000 0.000 0.299 333 F C 2.962 178.765 175.800 0.005 0.000 1.087 333 F CA 0.267 58.340 58.000 0.122 0.000 1.340 333 F CB -0.728 38.364 39.000 0.153 0.000 1.031 333 F HN 0.249 nan 8.300 nan 0.000 0.500 334 A N 0.356 123.290 122.820 0.190 0.000 1.902 334 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 334 A C 2.635 180.366 177.584 0.245 0.000 1.181 334 A CA 1.721 53.872 52.037 0.190 0.000 0.623 334 A CB -1.540 17.604 19.000 0.240 0.000 0.818 334 A HN 0.388 nan 8.150 nan 0.000 0.443 335 G N -0.597 108.384 108.800 0.302 0.000 2.459 335 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 335 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 335 G C 1.613 176.600 174.900 0.145 0.000 1.183 335 G CA 1.400 46.640 45.100 0.233 0.000 0.776 335 G HN 0.534 nan 8.290 nan 0.000 0.552 336 C N 0.182 119.592 119.300 0.183 0.000 2.429 336 C HA 0.029 4.489 4.460 -0.000 0.000 0.277 336 C C 2.710 177.703 174.990 0.004 0.000 1.262 336 C CA 1.095 60.212 59.018 0.164 0.000 1.733 336 C CB -0.686 27.129 27.740 0.125 0.000 2.010 336 C HN 0.646 nan 8.230 nan 0.000 0.483 337 E N 1.053 121.237 120.200 -0.026 0.000 2.072 337 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 337 E C 1.957 178.516 176.600 -0.068 0.000 0.985 337 E CA 1.118 57.468 56.400 -0.083 0.000 0.801 337 E CB -0.470 29.166 29.700 -0.105 0.000 0.750 337 E HN 0.588 nan 8.360 nan 0.000 0.452 338 L N 0.016 121.217 121.223 -0.036 0.000 2.012 338 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 338 L C 2.507 179.307 176.870 -0.116 0.000 1.073 338 L CA 1.415 56.212 54.840 -0.070 0.000 0.748 338 L CB -0.348 41.654 42.059 -0.096 0.000 0.891 338 L HN 0.254 nan 8.230 nan 0.000 0.431 339 I N -0.931 119.567 120.570 -0.120 0.000 2.202 339 I HA -0.284 3.885 4.170 -0.000 0.000 0.242 339 I C 2.834 178.837 176.117 -0.189 0.000 1.091 339 I CA 1.026 62.215 61.300 -0.185 0.000 1.368 339 I CB -0.402 37.456 38.000 -0.236 0.000 1.058 339 I HN 0.282 nan 8.210 nan 0.000 0.410 340 R N 1.268 121.675 120.500 -0.155 0.000 2.091 340 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 340 R C 2.084 178.344 176.300 -0.067 0.000 1.136 340 R CA 1.520 57.554 56.100 -0.109 0.000 0.959 340 R CB -0.196 30.043 30.300 -0.101 0.000 0.856 340 R HN 0.210 nan 8.270 nan 0.000 0.437 341 R N -0.085 120.359 120.500 -0.093 0.000 2.276 341 R HA 0.025 4.364 4.340 -0.000 0.000 0.203 341 R C 1.676 177.874 176.300 -0.171 0.000 1.017 341 R CA 1.027 57.075 56.100 -0.087 0.000 1.010 341 R CB -0.205 30.033 30.300 -0.104 0.000 0.900 341 R HN 0.336 nan 8.270 nan 0.000 0.469 342 T N 0.673 115.107 114.554 -0.200 0.000 3.021 342 T HA 0.119 4.469 4.350 -0.000 0.000 0.245 342 T C 1.740 176.263 174.700 -0.295 0.000 1.028 342 T CA 0.693 62.619 62.100 -0.289 0.000 1.139 342 T CB 0.230 68.963 68.868 -0.225 0.000 0.884 342 T HN 0.383 nan 8.240 nan 0.000 0.457 343 I N -1.157 119.353 120.570 -0.100 0.000 4.240 343 I HA 0.536 4.706 4.170 -0.000 0.000 0.331 343 I C 0.972 177.277 176.117 0.314 0.000 1.381 343 I CA -0.597 60.779 61.300 0.126 0.000 1.136 343 I CB 0.111 38.104 38.000 -0.012 0.000 1.137 343 I HN 0.066 nan 8.210 nan 0.000 0.411 344 G N 1.104 110.039 108.800 0.226 0.000 2.510 344 G HA2 0.287 4.247 3.960 -0.000 0.000 0.280 344 G HA3 0.287 4.247 3.960 -0.000 0.000 0.280 344 G C 0.402 175.442 174.900 0.233 0.000 1.386 344 G CA -0.388 44.844 45.100 0.220 0.000 1.047 344 G HN 0.184 nan 8.290 nan 0.000 0.527 345 L N -0.118 121.179 121.223 0.122 0.000 2.017 345 L HA 0.230 4.570 4.340 -0.000 0.000 0.208 345 L C 1.755 178.601 176.870 -0.040 0.000 1.073 345 L CA 2.130 56.986 54.840 0.027 0.000 0.745 345 L CB -0.460 41.623 42.059 0.041 0.000 0.894 345 L HN 0.474 nan 8.230 nan 0.000 0.432 346 A N -0.982 121.865 122.820 0.044 0.000 2.273 346 A HA 0.405 4.725 4.320 -0.000 0.000 0.320 346 A C -0.584 177.079 177.584 0.131 0.000 1.358 346 A CA -0.503 51.548 52.037 0.024 0.000 0.910 346 A CB -0.323 18.675 19.000 -0.003 0.000 1.159 346 A HN 0.552 nan 8.150 nan 0.000 0.526 347 H N 0.305 119.353 119.070 -0.037 0.000 2.497 347 H HA 0.588 5.144 4.556 -0.000 0.000 0.348 347 H C 0.101 175.389 175.328 -0.067 0.000 1.335 347 H CA -0.741 55.281 56.048 -0.043 0.000 1.395 347 H CB 1.706 31.457 29.762 -0.019 0.000 1.658 347 H HN 0.576 nan 8.280 nan 0.000 0.613 348 V N -1.332 118.611 119.914 0.049 0.000 2.628 348 V HA 0.500 4.619 4.120 -0.000 0.000 0.306 348 V C 0.845 176.944 176.094 0.008 0.000 1.045 348 V CA -0.454 61.842 62.300 -0.007 0.000 0.905 348 V CB 1.172 32.964 31.823 -0.051 0.000 0.997 348 V HN 0.965 nan 8.190 nan 0.000 0.436 349 A N 1.815 124.640 122.820 0.008 0.000 2.019 349 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 349 A C 1.465 179.046 177.584 -0.005 0.000 1.164 349 A CA 1.982 54.025 52.037 0.010 0.000 0.644 349 A CB -0.854 18.153 19.000 0.011 0.000 0.805 349 A HN 1.029 nan 8.150 nan 0.000 0.449 350 D N 0.361 120.750 120.400 -0.019 0.000 2.104 350 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 350 D C 1.793 178.069 176.300 -0.040 0.000 0.994 350 D CA 1.377 55.358 54.000 -0.030 0.000 0.830 350 D CB -0.297 40.480 40.800 -0.039 0.000 0.959 350 D HN 0.468 nan 8.370 nan 0.000 0.452 351 L N 0.219 121.410 121.223 -0.053 0.000 2.102 351 L HA -0.050 4.290 4.340 -0.000 0.000 0.202 351 L C 1.569 178.402 176.870 -0.062 0.000 1.076 351 L CA 0.931 55.724 54.840 -0.077 0.000 0.761 351 L CB -0.244 41.743 42.059 -0.120 0.000 0.921 351 L HN -0.096 nan 8.230 nan 0.000 0.444 352 D N -0.450 119.933 120.400 -0.028 0.000 2.310 352 D HA -0.125 4.515 4.640 -0.000 0.000 0.212 352 D C 1.895 178.206 176.300 0.018 0.000 0.965 352 D CA 1.466 55.475 54.000 0.015 0.000 0.879 352 D CB 0.028 40.877 40.800 0.081 0.000 0.921 352 D HN 0.367 nan 8.370 nan 0.000 0.510 353 T N -2.513 112.043 114.554 0.003 0.000 3.054 353 T HA 0.225 4.575 4.350 -0.000 0.000 0.255 353 T C 0.951 175.649 174.700 -0.003 0.000 1.035 353 T CA -0.392 61.713 62.100 0.008 0.000 0.941 353 T CB -0.067 68.806 68.868 0.008 0.000 1.026 353 T HN -0.041 nan 8.240 nan 0.000 0.533 354 I N 3.373 123.930 120.570 -0.022 0.000 2.710 354 I HA 0.225 4.394 4.170 -0.000 0.000 0.286 354 I C 0.241 176.348 176.117 -0.017 0.000 1.181 354 I CA -0.302 60.979 61.300 -0.032 0.000 1.430 354 I CB 0.652 38.615 38.000 -0.061 0.000 1.367 354 I HN 0.163 nan 8.210 nan 0.000 0.577 355 V N 4.879 124.788 119.914 -0.008 0.000 2.876 355 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 355 V C -2.362 173.735 176.094 0.005 0.000 1.085 355 V CA -1.814 60.494 62.300 0.013 0.000 0.945 355 V CB 1.344 33.182 31.823 0.025 0.000 1.017 355 V HN 0.568 nan 8.190 nan 0.000 0.428 356 P HA 0.222 nan 4.420 nan 0.000 0.275 356 P C 0.675 178.025 177.300 0.082 0.000 1.266 356 P CA -0.292 62.846 63.100 0.062 0.000 0.793 356 P CB 0.818 32.556 31.700 0.063 0.000 1.074 357 F N 1.018 120.964 119.950 -0.005 0.000 2.120 357 F HA -0.254 4.273 4.527 -0.000 0.000 0.300 357 F C 1.658 177.455 175.800 -0.005 0.000 1.095 357 F CA 2.083 60.081 58.000 -0.002 0.000 1.249 357 F CB -0.445 38.557 39.000 0.004 0.000 0.995 357 F HN 0.136 nan 8.300 nan 0.000 0.480 358 D N 0.232 120.699 120.400 0.112 0.000 2.178 358 D HA -0.181 4.458 4.640 -0.000 0.000 0.201 358 D C 2.182 178.419 176.300 -0.105 0.000 0.980 358 D CA 1.152 55.153 54.000 0.003 0.000 0.842 358 D CB -0.357 40.495 40.800 0.088 0.000 0.948 358 D HN 0.369 nan 8.370 nan 0.000 0.472 359 K N 0.770 121.121 120.400 -0.081 0.000 2.057 359 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 359 K C 2.151 178.661 176.600 -0.150 0.000 1.050 359 K CA 0.606 56.836 56.287 -0.096 0.000 0.935 359 K CB 0.150 32.615 32.500 -0.058 0.000 0.715 359 K HN -0.080 nan 8.250 nan 0.000 0.439 360 R N 0.658 121.048 120.500 -0.185 0.000 2.094 360 R HA -0.160 4.179 4.340 -0.000 0.000 0.239 360 R C 2.147 178.271 176.300 -0.295 0.000 1.137 360 R CA 1.853 57.815 56.100 -0.231 0.000 0.943 360 R CB -0.237 29.905 30.300 -0.264 0.000 0.850 360 R HN 0.206 nan 8.270 nan 0.000 0.433 361 I N 0.456 120.780 120.570 -0.409 0.000 2.226 361 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 361 I C 2.492 178.458 176.117 -0.252 0.000 1.100 361 I CA 1.622 62.718 61.300 -0.341 0.000 1.374 361 I CB -1.816 35.977 38.000 -0.345 0.000 1.057 361 I HN 0.429 nan 8.210 nan 0.000 0.413 362 G N 1.233 109.898 108.800 -0.224 0.000 2.446 362 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.217 362 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.217 362 G C 1.787 176.540 174.900 -0.245 0.000 1.168 362 G CA 0.360 45.326 45.100 -0.224 0.000 0.771 362 G HN 0.234 nan 8.290 nan 0.000 0.551 363 R N 0.467 120.844 120.500 -0.206 0.000 2.148 363 R HA 0.090 4.429 4.340 -0.000 0.000 0.223 363 R C 2.446 178.619 176.300 -0.212 0.000 1.088 363 R CA 0.720 56.707 56.100 -0.189 0.000 0.985 363 R CB -0.389 29.828 30.300 -0.138 0.000 0.880 363 R HN 0.387 nan 8.270 nan 0.000 0.451 364 K N 0.378 120.642 120.400 -0.226 0.000 2.103 364 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 364 K C 2.140 178.575 176.600 -0.275 0.000 1.052 364 K CA 0.657 56.806 56.287 -0.230 0.000 0.945 364 K CB -0.070 32.301 32.500 -0.215 0.000 0.722 364 K HN 0.045 nan 8.250 nan 0.000 0.443 365 R N 1.390 121.684 120.500 -0.344 0.000 2.091 365 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 365 R C 2.108 178.150 176.300 -0.429 0.000 1.136 365 R CA 1.234 57.036 56.100 -0.497 0.000 0.959 365 R CB -0.229 29.595 30.300 -0.793 0.000 0.856 365 R HN 0.147 nan 8.270 nan 0.000 0.437 366 L N 0.182 121.182 121.223 -0.372 0.000 2.141 366 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 366 L C 2.725 179.377 176.870 -0.364 0.000 1.094 366 L CA 1.036 55.654 54.840 -0.370 0.000 0.763 366 L CB -0.476 41.374 42.059 -0.349 0.000 0.908 366 L HN 0.307 nan 8.230 nan 0.000 0.437 367 A N 0.177 122.826 122.820 -0.285 0.000 1.933 367 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 367 A C 2.258 179.687 177.584 -0.258 0.000 1.175 367 A CA 1.382 53.278 52.037 -0.236 0.000 0.628 367 A CB -0.614 18.280 19.000 -0.177 0.000 0.814 367 A HN 0.348 nan 8.150 nan 0.000 0.444 368 L N -0.886 120.177 121.223 -0.267 0.000 2.046 368 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 368 L C 2.643 179.369 176.870 -0.241 0.000 1.077 368 L CA 1.754 56.444 54.840 -0.250 0.000 0.747 368 L CB -0.573 41.331 42.059 -0.259 0.000 0.896 368 L HN 0.509 nan 8.230 nan 0.000 0.432 369 E N -0.545 119.487 120.200 -0.280 0.000 2.072 369 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 369 E C 2.109 178.539 176.600 -0.285 0.000 0.982 369 E CA 1.716 57.961 56.400 -0.258 0.000 0.803 369 E CB -0.067 29.464 29.700 -0.281 0.000 0.755 369 E HN 0.576 nan 8.360 nan 0.000 0.453 370 T N -1.227 113.082 114.554 -0.408 0.000 2.821 370 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 370 T C 2.119 176.453 174.700 -0.609 0.000 1.046 370 T CA 1.014 62.770 62.100 -0.573 0.000 1.139 370 T CB -0.693 67.674 68.868 -0.835 0.000 0.871 370 T HN 0.195 nan 8.240 nan 0.000 0.454 371 G N 1.489 110.037 108.800 -0.419 0.000 2.421 371 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 371 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 371 G C 1.722 176.594 174.900 -0.046 0.000 1.171 371 G CA 1.412 46.373 45.100 -0.231 0.000 0.775 371 G HN 0.523 nan 8.290 nan 0.000 0.543 372 T N 1.819 116.337 114.554 -0.061 0.000 2.684 372 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 372 T C 2.815 177.539 174.700 0.041 0.000 1.036 372 T CA 1.734 63.841 62.100 0.011 0.000 1.148 372 T CB -0.474 68.375 68.868 -0.032 0.000 0.863 372 T HN 0.387 nan 8.240 nan 0.000 0.436 373 A N 1.168 123.994 122.820 0.011 0.000 1.908 373 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 373 A C 2.013 179.779 177.584 0.302 0.000 1.181 373 A CA 1.359 53.456 52.037 0.101 0.000 0.627 373 A CB -0.943 18.100 19.000 0.071 0.000 0.818 373 A HN 0.388 nan 8.150 nan 0.000 0.445 374 F N 0.082 120.070 119.950 0.064 0.000 2.102 374 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 374 F C 2.273 178.113 175.800 0.068 0.000 1.105 374 F CA 0.633 58.696 58.000 0.105 0.000 1.239 374 F CB -0.928 38.077 39.000 0.008 0.000 0.991 374 F HN 0.135 nan 8.300 nan 0.000 0.474 375 I N -0.276 120.436 120.570 0.237 0.000 2.127 375 I HA -0.301 3.868 4.170 -0.000 0.000 0.241 375 I C 2.296 178.443 176.117 0.050 0.000 1.075 375 I CA 1.621 62.989 61.300 0.113 0.000 1.334 375 I CB -0.540 37.530 38.000 0.117 0.000 1.040 375 I HN 0.155 nan 8.210 nan 0.000 0.405 376 E N 0.619 120.848 120.200 0.050 0.000 2.106 376 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 376 E C 1.627 178.193 176.600 -0.057 0.000 0.984 376 E CA 0.989 57.386 56.400 -0.005 0.000 0.806 376 E CB 0.125 29.822 29.700 -0.005 0.000 0.750 376 E HN 0.406 nan 8.360 nan 0.000 0.458 377 K N 0.332 120.691 120.400 -0.069 0.000 2.373 377 K HA 0.089 4.409 4.320 -0.000 0.000 0.202 377 K C 1.575 177.929 176.600 -0.410 0.000 1.025 377 K CA -0.190 55.931 56.287 -0.278 0.000 1.115 377 K CB 0.438 32.705 32.500 -0.388 0.000 0.858 377 K HN 0.054 nan 8.250 nan 0.000 0.525 378 R N 0.573 120.998 120.500 -0.125 0.000 2.159 378 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 378 R C 1.744 177.983 176.300 -0.102 0.000 1.131 378 R CA 1.998 58.075 56.100 -0.038 0.000 0.982 378 R CB -0.588 29.651 30.300 -0.101 0.000 0.868 378 R HN 0.068 nan 8.270 nan 0.000 0.453 379 S N -0.012 115.601 115.700 -0.145 0.000 2.558 379 S HA 0.062 4.532 4.470 -0.000 0.000 0.217 379 S C 1.224 175.756 174.600 -0.113 0.000 0.975 379 S CA 0.029 58.173 58.200 -0.092 0.000 0.912 379 S CB 0.341 63.501 63.200 -0.067 0.000 0.776 379 S HN 0.516 nan 8.310 nan 0.000 0.526 380 E N 0.214 120.253 120.200 -0.268 0.000 2.340 380 E HA 0.204 4.554 4.350 -0.000 0.000 0.194 380 E C -0.538 175.924 176.600 -0.230 0.000 0.996 380 E CA -0.036 56.193 56.400 -0.285 0.000 0.869 380 E CB 0.006 29.462 29.700 -0.406 0.000 0.835 380 E HN 0.579 nan 8.360 nan 0.000 0.493 381 F N 0.735 120.673 119.950 -0.020 0.000 2.471 381 F HA 0.170 4.696 4.527 -0.000 0.000 0.353 381 F C 1.643 177.528 175.800 0.142 0.000 1.113 381 F CA 0.080 58.104 58.000 0.041 0.000 1.262 381 F CB 0.767 39.766 39.000 -0.002 0.000 1.146 381 F HN -0.106 nan 8.300 nan 0.000 0.578 382 K N 0.814 121.378 120.400 0.273 0.000 2.350 382 K HA 0.243 4.563 4.320 -0.000 0.000 0.196 382 K C 0.581 177.125 176.600 -0.094 0.000 1.084 382 K CA 1.167 57.512 56.287 0.097 0.000 0.967 382 K CB -0.038 32.486 32.500 0.040 0.000 0.950 382 K HN 0.717 nan 8.250 nan 0.000 0.512 383 T N -3.584 110.921 114.554 -0.081 0.000 2.883 383 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 383 T C 0.810 175.398 174.700 -0.186 0.000 1.117 383 T CA -0.126 61.793 62.100 -0.302 0.000 1.006 383 T CB 1.379 70.168 68.868 -0.131 0.000 1.191 383 T HN 0.042 nan 8.240 nan 0.000 0.508 384 I N 1.294 121.683 120.570 -0.302 0.000 2.335 384 I HA -0.101 4.069 4.170 -0.000 0.000 0.251 384 I C 2.366 178.466 176.117 -0.029 0.000 1.129 384 I CA 1.964 63.222 61.300 -0.069 0.000 1.402 384 I CB -0.649 37.340 38.000 -0.019 0.000 1.069 384 I HN 0.919 nan 8.210 nan 0.000 0.424 385 T N 0.418 114.959 114.554 -0.020 0.000 2.699 385 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 385 T C 1.567 176.267 174.700 -0.001 0.000 1.036 385 T CA 1.797 63.894 62.100 -0.004 0.000 1.147 385 T CB -0.448 68.420 68.868 0.001 0.000 0.862 385 T HN 0.395 nan 8.240 nan 0.000 0.446 386 D N 0.662 121.077 120.400 0.025 0.000 2.149 386 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 386 D C 2.258 178.554 176.300 -0.007 0.000 0.990 386 D CA 0.630 54.690 54.000 0.100 0.000 0.839 386 D CB -0.509 40.449 40.800 0.264 0.000 0.948 386 D HN 0.238 nan 8.370 nan 0.000 0.460 387 V N 1.099 120.843 119.914 -0.283 0.000 2.307 387 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 387 V C 2.539 178.554 176.094 -0.131 0.000 1.045 387 V CA 1.077 62.996 62.300 -0.634 0.000 1.024 387 V CB -0.373 30.978 31.823 -0.787 0.000 0.651 387 V HN 0.155 nan 8.190 nan 0.000 0.449 388 I N -0.215 120.360 120.570 0.008 0.000 2.208 388 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 388 I C 2.646 178.746 176.117 -0.028 0.000 1.097 388 I CA 1.363 62.700 61.300 0.062 0.000 1.363 388 I CB -0.425 37.578 38.000 0.004 0.000 1.051 388 I HN 0.285 nan 8.210 nan 0.000 0.413 389 E N 0.477 120.665 120.200 -0.019 0.000 2.106 389 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 389 E C 2.098 178.711 176.600 0.023 0.000 0.984 389 E CA 1.025 57.415 56.400 -0.016 0.000 0.806 389 E CB -0.421 29.282 29.700 0.005 0.000 0.750 389 E HN 0.363 nan 8.360 nan 0.000 0.458 390 L N 0.040 121.313 121.223 0.083 0.000 2.093 390 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 390 L C 2.217 179.131 176.870 0.074 0.000 1.085 390 L CA 1.282 56.194 54.840 0.120 0.000 0.755 390 L CB -0.481 41.746 42.059 0.281 0.000 0.904 390 L HN 0.014 nan 8.230 nan 0.000 0.435 391 F N 0.568 120.472 119.950 -0.077 0.000 2.102 391 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 391 F C 2.332 178.034 175.800 -0.163 0.000 1.105 391 F CA 1.942 59.820 58.000 -0.204 0.000 1.239 391 F CB -0.228 38.529 39.000 -0.405 0.000 0.991 391 F HN 0.002 nan 8.300 nan 0.000 0.474 392 K N -0.059 120.389 120.400 0.080 0.000 2.063 392 K HA -0.218 4.101 4.320 -0.000 0.000 0.208 392 K C 1.952 178.516 176.600 -0.059 0.000 1.048 392 K CA 1.737 58.018 56.287 -0.011 0.000 0.928 392 K CB -0.616 31.804 32.500 -0.133 0.000 0.713 392 K HN 0.304 nan 8.250 nan 0.000 0.442 393 L N 0.857 122.040 121.223 -0.067 0.000 2.017 393 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 393 L C 1.844 178.641 176.870 -0.122 0.000 1.073 393 L CA 1.563 56.359 54.840 -0.072 0.000 0.745 393 L CB -0.366 41.665 42.059 -0.047 0.000 0.894 393 L HN 0.031 nan 8.230 nan 0.000 0.432 394 L N -0.614 120.497 121.223 -0.186 0.000 2.083 394 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 394 L C 2.327 179.020 176.870 -0.294 0.000 1.083 394 L CA 1.811 56.498 54.840 -0.256 0.000 0.752 394 L CB -0.983 40.868 42.059 -0.346 0.000 0.899 394 L HN 0.439 nan 8.230 nan 0.000 0.433 395 V N -4.783 114.935 119.914 -0.328 0.000 3.647 395 V HA 0.128 4.247 4.120 -0.000 0.000 0.279 395 V C 1.369 177.385 176.094 -0.130 0.000 1.314 395 V CA -0.463 61.669 62.300 -0.281 0.000 1.125 395 V CB -0.758 30.848 31.823 -0.361 0.000 0.907 395 V HN 0.136 nan 8.190 nan 0.000 0.434 396 K N 0.000 120.340 120.400 -0.101 0.000 2.780 396 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 396 K CA 0.000 56.251 56.287 -0.059 0.000 0.838 396 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 396 K HN 0.000 nan 8.250 nan 0.000 0.543