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 1yey_1_D DATA FIRST_RESID 2 DATA SEQUENCE RTIIALETHD VRFPTSREXX XSDAXNPDPD YSAAYVVLRT DGAEDLAGYG DATA SEQUENCE LVFTIGRGND VQTAAVAALA EHVVGLSVDK VIADLGAFAR RLTNDSQLRW DATA SEQUENCE LGPEKGVXHX AIGAVINAAW DLAARAANKP LWRFIAELTP EQLVDTIDFR DATA SEQUENCE YLSDALTRDE ALAILRDAQP QRAARTATLI EQGYPAYTTS PGWLGYSDEK DATA SEQUENCE LVRLAKEAVA DGFRTIKLKV GANVQDDIRR CRLARAAIGP DIAXAVDANQ DATA SEQUENCE RWDVGPAIDW XRQLAEFDIA WIEEPTSPDD VLGHAAIRQG ITPVPVSTGE DATA SEQUENCE HTQNRVVFKQ LLQAGAVDLI QIDAARVGGV NENLAILLLA AKFGVRVFPH DATA SEQUENCE AGGVGLCELV QHLAXADFVA ITGKXEDRAI EFVDHLHQHF LDPVRIQHGR DATA SEQUENCE YLAPEVPGFS AEXHPASIAE FSYPDGRFWV EDLAA 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.295 176.300 -0.009 0.000 0.893 2 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 2 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 3 T N 2.867 117.417 114.554 -0.006 0.000 2.907 3 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 3 T C 0.042 174.740 174.700 -0.004 0.000 1.043 3 T CA -0.688 61.411 62.100 -0.001 0.000 1.003 3 T CB 1.642 70.512 68.868 0.003 0.000 1.084 3 T HN 0.319 nan 8.240 nan 0.000 0.483 4 I N 3.415 123.988 120.570 0.005 0.000 2.308 4 I HA 0.204 4.374 4.170 -0.000 0.000 0.293 4 I C 1.584 177.704 176.117 0.006 0.000 1.078 4 I CA -0.125 61.177 61.300 0.004 0.000 1.292 4 I CB 0.540 38.557 38.000 0.028 0.000 1.423 4 I HN 0.675 nan 8.210 nan 0.000 0.493 5 I N 3.362 123.930 120.570 -0.003 0.000 3.226 5 I HA 0.441 4.611 4.170 -0.000 0.000 0.277 5 I C 0.788 176.904 176.117 -0.001 0.000 1.243 5 I CA 0.214 61.514 61.300 -0.000 0.000 1.459 5 I CB 0.140 38.139 38.000 -0.001 0.000 1.093 5 I HN 0.509 nan 8.210 nan 0.000 0.453 6 A N 1.315 124.131 122.820 -0.006 0.000 2.608 6 A HA 0.687 5.007 4.320 -0.000 0.000 0.292 6 A C -1.822 175.753 177.584 -0.016 0.000 1.066 6 A CA -0.516 51.516 52.037 -0.007 0.000 0.676 6 A CB 1.541 20.537 19.000 -0.007 0.000 1.277 6 A HN 0.205 nan 8.150 nan 0.000 0.413 7 L N 1.838 123.053 121.223 -0.013 0.000 2.401 7 L HA 0.504 4.844 4.340 -0.000 0.000 0.263 7 L C 0.012 176.861 176.870 -0.035 0.000 1.004 7 L CA -0.051 54.777 54.840 -0.019 0.000 0.881 7 L CB 0.815 42.879 42.059 0.007 0.000 1.219 7 L HN 0.754 nan 8.230 nan 0.000 0.441 8 E N 1.946 122.116 120.200 -0.049 0.000 2.266 8 E HA 0.668 5.018 4.350 -0.000 0.000 0.277 8 E C -0.838 175.707 176.600 -0.091 0.000 1.018 8 E CA -0.690 55.667 56.400 -0.071 0.000 0.840 8 E CB 1.286 30.975 29.700 -0.019 0.000 1.082 8 E HN 0.503 nan 8.360 nan 0.000 0.395 9 T N 0.416 114.861 114.554 -0.183 0.000 2.893 9 T HA 0.509 4.859 4.350 -0.000 0.000 0.293 9 T C -1.009 173.527 174.700 -0.275 0.000 1.027 9 T CA -0.957 61.077 62.100 -0.110 0.000 0.988 9 T CB 1.118 69.958 68.868 -0.046 0.000 1.043 9 T HN 0.573 nan 8.240 nan 0.000 0.461 10 H N 0.325 119.479 119.070 0.139 0.000 2.679 10 H HA 0.528 5.084 4.556 -0.000 0.000 0.360 10 H C -1.150 174.255 175.328 0.129 0.000 1.105 10 H CA -0.707 55.435 56.048 0.157 0.000 1.196 10 H CB 1.623 31.529 29.762 0.239 0.000 1.636 10 H HN 0.643 nan 8.280 nan 0.000 0.531 11 D N 3.317 123.831 120.400 0.189 0.000 2.441 11 D HA 0.166 4.806 4.640 -0.000 0.000 0.221 11 D C -0.814 175.544 176.300 0.096 0.000 1.156 11 D CA -0.195 53.870 54.000 0.108 0.000 0.896 11 D CB 0.293 41.145 40.800 0.087 0.000 1.028 11 D HN 0.216 nan 8.370 nan 0.000 0.509 12 V N 5.885 125.823 119.914 0.040 0.000 2.384 12 V HA 0.512 4.632 4.120 -0.000 0.000 0.287 12 V C 0.247 176.196 176.094 -0.241 0.000 1.020 12 V CA -0.809 61.442 62.300 -0.081 0.000 0.850 12 V CB 1.330 33.066 31.823 -0.147 0.000 0.987 12 V HN 0.432 nan 8.190 nan 0.000 0.436 13 R N 3.933 124.284 120.500 -0.248 0.000 2.574 13 R HA 0.647 4.987 4.340 -0.000 0.000 0.288 13 R C -1.843 174.399 176.300 -0.096 0.000 1.004 13 R CA -0.582 55.377 56.100 -0.235 0.000 0.895 13 R CB 1.683 31.816 30.300 -0.278 0.000 1.191 13 R HN 0.409 nan 8.270 nan 0.000 0.444 14 F N 2.582 122.590 119.950 0.096 0.000 2.421 14 F HA 0.373 4.900 4.527 -0.000 0.000 0.337 14 F C -1.465 174.340 175.800 0.009 0.000 1.105 14 F CA -2.776 55.129 58.000 -0.159 0.000 1.049 14 F CB 1.577 40.300 39.000 -0.462 0.000 1.139 14 F HN 0.345 nan 8.300 nan 0.000 0.479 15 P HA 0.019 nan 4.420 nan 0.000 0.228 15 P C 0.847 178.142 177.300 -0.007 0.000 1.748 15 P CA 0.174 63.322 63.100 0.081 0.000 0.909 15 P CB -0.597 31.031 31.700 -0.121 0.000 1.882 16 T N -3.045 111.482 114.554 -0.045 0.000 2.977 16 T HA -0.148 4.202 4.350 -0.000 0.000 0.271 16 T C 1.821 176.414 174.700 -0.178 0.000 1.105 16 T CA 1.418 63.409 62.100 -0.181 0.000 1.116 16 T CB -0.948 67.670 68.868 -0.416 0.000 0.878 16 T HN 0.273 nan 8.240 nan 0.000 0.509 17 S N 1.791 117.436 115.700 -0.092 0.000 2.469 17 S HA -0.049 4.421 4.470 -0.000 0.000 0.238 17 S C 1.892 176.472 174.600 -0.033 0.000 0.998 17 S CA 0.181 58.341 58.200 -0.067 0.000 0.957 17 S CB -0.520 62.680 63.200 -0.001 0.000 0.764 17 S HN 0.642 nan 8.310 nan 0.000 0.514 18 R N 0.767 121.260 120.500 -0.010 0.000 2.334 18 R HA 0.350 4.690 4.340 -0.000 0.000 0.220 18 R C 0.130 176.422 176.300 -0.014 0.000 0.917 18 R CA 0.216 56.322 56.100 0.010 0.000 1.073 18 R CB 0.153 30.484 30.300 0.052 0.000 1.056 18 R HN 0.465 nan 8.270 nan 0.000 0.506 24 D N 2.554 123.039 120.400 0.142 0.000 2.636 24 D HA 0.815 5.455 4.640 -0.000 0.000 0.275 24 D C 0.473 176.786 176.300 0.022 0.000 1.130 24 D CA -0.375 53.686 54.000 0.101 0.000 1.031 24 D CB 0.691 41.561 40.800 0.117 0.000 1.451 24 D HN 0.726 nan 8.370 nan 0.000 0.505 28 P HA 0.258 nan 4.420 nan 0.000 0.283 28 P C -0.124 177.177 177.300 0.000 0.000 1.271 28 P CA 0.092 63.196 63.100 0.008 0.000 0.841 28 P CB 1.012 32.718 31.700 0.010 0.000 1.122 29 D N -1.302 119.089 120.400 -0.015 0.000 2.692 29 D HA -0.134 4.506 4.640 -0.000 0.000 0.233 29 D C -2.085 174.206 176.300 -0.016 0.000 1.172 29 D CA 0.101 54.089 54.000 -0.020 0.000 0.636 29 D CB -2.071 38.730 40.800 0.001 0.000 1.028 29 D HN 0.286 nan 8.370 nan 0.000 0.419 30 P HA 0.337 nan 4.420 nan 0.000 0.279 30 P C -0.771 176.536 177.300 0.012 0.000 1.239 30 P CA -0.118 63.002 63.100 0.033 0.000 0.789 30 P CB 0.687 32.466 31.700 0.132 0.000 0.933 31 D N 1.918 122.358 120.400 0.067 0.000 2.485 31 D HA 0.179 4.819 4.640 -0.000 0.000 0.229 31 D C -0.129 176.309 176.300 0.229 0.000 1.101 31 D CA -0.292 53.764 54.000 0.093 0.000 0.906 31 D CB -0.253 40.594 40.800 0.078 0.000 1.019 31 D HN 0.311 nan 8.370 nan 0.000 0.516 32 Y N 1.565 121.936 120.300 0.119 0.000 2.865 32 Y HA -0.037 4.513 4.550 -0.000 0.000 0.338 32 Y C 0.814 176.865 175.900 0.251 0.000 1.269 32 Y CA -0.086 58.184 58.100 0.284 0.000 1.585 32 Y CB 0.268 38.906 38.460 0.297 0.000 1.224 32 Y HN 0.267 nan 8.280 nan 0.000 0.554 33 S N 1.621 117.480 115.700 0.264 0.000 2.667 33 S HA 0.880 5.350 4.470 -0.000 0.000 0.292 33 S C -0.984 173.695 174.600 0.131 0.000 1.126 33 S CA -0.894 57.357 58.200 0.085 0.000 0.881 33 S CB 2.136 65.281 63.200 -0.091 0.000 1.132 33 S HN 0.714 nan 8.310 nan 0.000 0.492 34 A N 0.606 123.474 122.820 0.080 0.000 2.459 34 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 34 A C -0.800 176.862 177.584 0.129 0.000 1.039 34 A CA -0.595 51.535 52.037 0.154 0.000 0.698 34 A CB 1.083 20.231 19.000 0.246 0.000 1.261 34 A HN 1.143 nan 8.150 nan 0.000 0.405 35 A N 1.993 124.890 122.820 0.129 0.000 2.527 35 A HA 0.519 4.839 4.320 -0.000 0.000 0.313 35 A C -0.599 177.120 177.584 0.226 0.000 1.410 35 A CA -0.176 51.939 52.037 0.130 0.000 1.060 35 A CB -0.568 18.472 19.000 0.067 0.000 1.137 35 A HN 1.081 nan 8.150 nan 0.000 0.542 36 Y N 3.134 123.513 120.300 0.132 0.000 2.359 36 Y HA 0.435 4.985 4.550 -0.000 0.000 0.334 36 Y C -0.294 175.726 175.900 0.200 0.000 1.058 36 Y CA -0.281 57.925 58.100 0.176 0.000 1.244 36 Y CB 0.858 39.429 38.460 0.184 0.000 1.187 36 Y HN 0.397 nan 8.280 nan 0.000 0.510 37 V N 6.706 126.519 119.914 -0.168 0.000 2.604 37 V HA 0.594 4.714 4.120 -0.000 0.000 0.305 37 V C -0.892 174.987 176.094 -0.358 0.000 1.043 37 V CA -1.026 61.163 62.300 -0.185 0.000 0.888 37 V CB 1.676 33.462 31.823 -0.061 0.000 0.995 37 V HN 0.512 nan 8.190 nan 0.000 0.429 38 V N 5.146 124.893 119.914 -0.278 0.000 2.577 38 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 38 V C -0.802 175.141 176.094 -0.252 0.000 1.042 38 V CA -0.552 61.525 62.300 -0.371 0.000 0.872 38 V CB 1.862 33.499 31.823 -0.310 0.000 0.998 38 V HN 0.606 nan 8.190 nan 0.000 0.423 39 L N 6.220 127.268 121.223 -0.292 0.000 2.270 39 L HA 0.507 4.847 4.340 -0.000 0.000 0.286 39 L C 0.400 177.159 176.870 -0.185 0.000 1.059 39 L CA 0.111 54.847 54.840 -0.172 0.000 0.839 39 L CB 0.449 42.425 42.059 -0.139 0.000 1.221 39 L HN 0.487 nan 8.230 nan 0.000 0.431 40 R N 1.747 122.176 120.500 -0.118 0.000 2.357 40 R HA 0.608 4.948 4.340 -0.000 0.000 0.296 40 R C 0.229 176.498 176.300 -0.052 0.000 1.052 40 R CA -0.209 55.841 56.100 -0.085 0.000 0.988 40 R CB 1.334 31.607 30.300 -0.045 0.000 1.025 40 R HN 0.685 nan 8.270 nan 0.000 0.469 41 T N -2.611 111.917 114.554 -0.043 0.000 2.910 41 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 41 T C 0.189 174.881 174.700 -0.013 0.000 1.050 41 T CA -0.818 61.266 62.100 -0.027 0.000 1.011 41 T CB 1.515 70.362 68.868 -0.035 0.000 1.195 41 T HN 0.478 nan 8.240 nan 0.000 0.540 42 D N -0.985 119.410 120.400 -0.008 0.000 2.491 42 D HA 0.334 4.974 4.640 -0.000 0.000 0.228 42 D C 0.849 177.149 176.300 -0.000 0.000 1.183 42 D CA -0.538 53.462 54.000 -0.001 0.000 0.827 42 D CB -0.228 40.572 40.800 0.000 0.000 0.989 42 D HN 0.753 nan 8.370 nan 0.000 0.494 43 G N -0.310 108.489 108.800 -0.003 0.000 2.890 43 G HA2 0.563 4.523 3.960 -0.000 0.000 0.189 43 G HA3 0.563 4.523 3.960 -0.000 0.000 0.189 43 G C -0.296 174.608 174.900 0.007 0.000 1.342 43 G CA -0.521 44.579 45.100 -0.001 0.000 1.026 43 G HN 0.333 nan 8.290 nan 0.000 0.579 44 A N -0.635 122.191 122.820 0.009 0.000 2.561 44 A HA 0.274 4.594 4.320 -0.000 0.000 0.234 44 A C 1.248 178.848 177.584 0.027 0.000 1.055 44 A CA 0.625 52.673 52.037 0.019 0.000 0.756 44 A CB 0.217 19.228 19.000 0.019 0.000 0.986 44 A HN 0.680 nan 8.150 nan 0.000 0.505 45 E N 0.875 121.097 120.200 0.037 0.000 2.396 45 E HA -0.170 4.179 4.350 -0.000 0.000 0.200 45 E C 1.124 177.768 176.600 0.073 0.000 1.023 45 E CA 1.580 58.011 56.400 0.051 0.000 0.857 45 E CB -0.014 29.720 29.700 0.058 0.000 0.775 45 E HN 0.733 nan 8.360 nan 0.000 0.525 46 D N -0.710 119.729 120.400 0.064 0.000 2.224 46 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 46 D C 0.076 176.423 176.300 0.078 0.000 0.965 46 D CA 0.198 54.245 54.000 0.079 0.000 0.852 46 D CB 0.074 40.908 40.800 0.056 0.000 0.947 46 D HN 0.147 nan 8.370 nan 0.000 0.494 47 L N 1.350 122.597 121.223 0.040 0.000 2.334 47 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 47 L C -0.711 176.149 176.870 -0.018 0.000 1.108 47 L CA 0.037 54.882 54.840 0.008 0.000 0.875 47 L CB -0.520 41.532 42.059 -0.011 0.000 1.246 47 L HN -0.024 nan 8.230 nan 0.000 0.439 48 A N 3.272 126.073 122.820 -0.032 0.000 2.612 48 A HA 0.763 5.083 4.320 -0.000 0.000 0.293 48 A C -0.507 176.938 177.584 -0.231 0.000 1.075 48 A CA -0.186 51.747 52.037 -0.172 0.000 0.680 48 A CB 1.364 20.207 19.000 -0.262 0.000 1.279 48 A HN 0.669 nan 8.150 nan 0.000 0.411 49 G N -0.175 108.414 108.800 -0.351 0.000 2.416 49 G HA2 0.602 4.562 3.960 -0.000 0.000 0.324 49 G HA3 0.602 4.562 3.960 -0.000 0.000 0.324 49 G C -1.387 173.265 174.900 -0.413 0.000 1.194 49 G CA -0.250 44.706 45.100 -0.240 0.000 0.922 49 G HN 0.479 nan 8.290 nan 0.000 0.467 50 Y N 0.569 120.875 120.300 0.010 0.000 2.429 50 Y HA 0.729 5.279 4.550 -0.000 0.000 0.342 50 Y C 0.769 176.670 175.900 0.003 0.000 1.004 50 Y CA -0.297 57.790 58.100 -0.022 0.000 1.075 50 Y CB 2.829 41.334 38.460 0.075 0.000 1.214 50 Y HN 0.830 nan 8.280 nan 0.000 0.455 51 G N 1.993 110.847 108.800 0.090 0.000 2.649 51 G HA2 0.749 4.709 3.960 -0.000 0.000 0.290 51 G HA3 0.749 4.709 3.960 -0.000 0.000 0.290 51 G C -1.977 172.995 174.900 0.120 0.000 1.426 51 G CA -1.007 44.129 45.100 0.060 0.000 0.794 51 G HN 0.841 nan 8.290 nan 0.000 0.483 52 L N -2.441 118.849 121.223 0.112 0.000 2.724 52 L HA 0.828 5.168 4.340 -0.000 0.000 0.258 52 L C -1.729 175.216 176.870 0.125 0.000 0.967 52 L CA -1.193 53.760 54.840 0.188 0.000 0.891 52 L CB 1.532 43.799 42.059 0.347 0.000 1.456 52 L HN 0.455 nan 8.230 nan 0.000 0.416 53 V N 2.153 122.144 119.914 0.129 0.000 2.398 53 V HA 0.389 4.509 4.120 -0.000 0.000 0.286 53 V C -0.436 175.745 176.094 0.144 0.000 1.026 53 V CA -0.254 62.103 62.300 0.096 0.000 0.868 53 V CB 1.454 33.300 31.823 0.038 0.000 0.982 53 V HN 0.594 nan 8.190 nan 0.000 0.443 54 F N 4.704 124.662 119.950 0.014 0.000 2.445 54 F HA 0.574 5.101 4.527 -0.000 0.000 0.359 54 F C 0.439 176.233 175.800 -0.011 0.000 1.101 54 F CA 0.332 58.334 58.000 0.004 0.000 1.177 54 F CB 0.729 39.718 39.000 -0.019 0.000 1.110 54 F HN 0.534 nan 8.300 nan 0.000 0.522 55 T N 6.843 120.977 114.554 -0.700 0.000 2.905 55 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 55 T C 0.480 174.648 174.700 -0.887 0.000 1.031 55 T CA -0.513 61.194 62.100 -0.655 0.000 1.002 55 T CB 1.608 70.299 68.868 -0.294 0.000 1.200 55 T HN 0.663 nan 8.240 nan 0.000 0.560 56 I N 0.248 120.532 120.570 -0.478 0.000 3.947 56 I HA 0.384 4.554 4.170 -0.000 0.000 0.327 56 I C 0.948 176.998 176.117 -0.111 0.000 1.519 56 I CA 0.254 61.399 61.300 -0.259 0.000 1.122 56 I CB -0.254 37.642 38.000 -0.172 0.000 1.146 56 I HN 0.942 nan 8.210 nan 0.000 0.442 57 G N 1.107 109.812 108.800 -0.158 0.000 1.844 57 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.177 57 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.177 57 G C -0.397 174.371 174.900 -0.219 0.000 1.010 57 G CA -0.853 44.145 45.100 -0.169 0.000 1.257 57 G HN 0.148 nan 8.290 nan 0.000 0.428 58 R N 1.271 121.667 120.500 -0.173 0.000 2.679 58 R HA 0.401 4.741 4.340 -0.000 0.000 0.268 58 R C 1.457 177.674 176.300 -0.138 0.000 1.044 58 R CA 1.270 57.275 56.100 -0.158 0.000 1.105 58 R CB 0.290 30.528 30.300 -0.104 0.000 0.989 58 R HN 2.134 nan 8.270 nan 0.000 0.447 59 G N 1.581 110.309 108.800 -0.121 0.000 2.225 59 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.254 59 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.254 59 G C 0.820 175.657 174.900 -0.104 0.000 0.988 59 G CA 0.540 45.582 45.100 -0.098 0.000 0.625 59 G HN 0.675 nan 8.290 nan 0.000 0.527 60 N N 1.603 120.219 118.700 -0.139 0.000 2.309 60 N HA -0.058 4.682 4.740 -0.000 0.000 0.182 60 N C 1.930 177.395 175.510 -0.074 0.000 1.018 60 N CA 2.009 54.986 53.050 -0.122 0.000 0.876 60 N CB -0.173 38.215 38.487 -0.164 0.000 0.972 60 N HN 0.637 nan 8.380 nan 0.000 0.434 61 D N -0.199 120.160 120.400 -0.068 0.000 2.149 61 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 61 D C 1.989 178.279 176.300 -0.017 0.000 0.972 61 D CA 1.412 55.400 54.000 -0.020 0.000 0.835 61 D CB -0.828 39.975 40.800 0.005 0.000 0.966 61 D HN 0.299 nan 8.370 nan 0.000 0.476 62 V N -1.219 118.678 119.914 -0.029 0.000 2.453 62 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 62 V C 2.542 178.624 176.094 -0.020 0.000 1.048 62 V CA 1.510 63.798 62.300 -0.021 0.000 1.049 62 V CB -1.038 30.770 31.823 -0.025 0.000 0.672 62 V HN 0.016 nan 8.190 nan 0.000 0.457 63 Q N 1.358 121.139 119.800 -0.031 0.000 2.124 63 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 63 Q C 2.152 178.147 176.000 -0.008 0.000 0.977 63 Q CA 2.704 58.491 55.803 -0.026 0.000 0.850 63 Q CB -0.993 27.718 28.738 -0.045 0.000 0.901 63 Q HN 0.707 nan 8.270 nan 0.000 0.429 64 T N -0.091 114.462 114.554 -0.002 0.000 2.857 64 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 64 T C 1.670 176.373 174.700 0.005 0.000 1.048 64 T CA 1.094 63.202 62.100 0.013 0.000 1.139 64 T CB -0.426 68.455 68.868 0.022 0.000 0.874 64 T HN 0.438 nan 8.240 nan 0.000 0.455 65 A N 1.438 124.258 122.820 0.001 0.000 1.930 65 A HA 0.216 4.536 4.320 -0.000 0.000 0.217 65 A C 2.619 180.207 177.584 0.006 0.000 1.175 65 A CA 1.659 53.697 52.037 0.002 0.000 0.627 65 A CB -0.997 18.004 19.000 0.001 0.000 0.815 65 A HN 0.486 nan 8.150 nan 0.000 0.443 66 A N -0.419 122.404 122.820 0.005 0.000 1.902 66 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 66 A C 2.229 179.817 177.584 0.008 0.000 1.181 66 A CA 1.876 53.917 52.037 0.008 0.000 0.623 66 A CB -0.943 18.059 19.000 0.004 0.000 0.818 66 A HN 0.390 nan 8.150 nan 0.000 0.443 67 V N -0.157 119.761 119.914 0.007 0.000 2.295 67 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 67 V C 3.044 179.144 176.094 0.011 0.000 1.049 67 V CA 1.913 64.219 62.300 0.009 0.000 1.024 67 V CB -1.281 30.551 31.823 0.015 0.000 0.648 67 V HN 0.610 nan 8.190 nan 0.000 0.447 68 A N 0.049 122.873 122.820 0.006 0.000 2.024 68 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 68 A C 2.306 179.902 177.584 0.019 0.000 1.164 68 A CA 1.833 53.871 52.037 0.003 0.000 0.643 68 A CB -0.646 18.349 19.000 -0.008 0.000 0.806 68 A HN 0.603 nan 8.150 nan 0.000 0.451 69 A N -0.664 122.172 122.820 0.026 0.000 2.172 69 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 69 A C 1.767 179.404 177.584 0.087 0.000 1.154 69 A CA 0.923 52.988 52.037 0.046 0.000 0.701 69 A CB -0.440 18.585 19.000 0.041 0.000 0.789 69 A HN 0.480 nan 8.150 nan 0.000 0.465 70 L N -1.256 120.006 121.223 0.065 0.000 2.591 70 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 70 L C 2.659 179.607 176.870 0.130 0.000 1.133 70 L CA 0.346 55.238 54.840 0.087 0.000 0.880 70 L CB -0.345 41.705 42.059 -0.015 0.000 1.033 70 L HN 0.404 nan 8.230 nan 0.000 0.450 71 A N 0.773 123.644 122.820 0.086 0.000 1.873 71 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 71 A C 2.151 179.769 177.584 0.056 0.000 1.193 71 A CA 1.812 53.883 52.037 0.058 0.000 0.629 71 A CB -0.365 18.652 19.000 0.028 0.000 0.826 71 A HN 0.450 nan 8.150 nan 0.000 0.447 72 E N -1.091 119.133 120.200 0.039 0.000 2.209 72 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 72 E C 1.780 178.337 176.600 -0.073 0.000 0.993 72 E CA 1.092 57.470 56.400 -0.037 0.000 0.819 72 E CB -0.302 29.340 29.700 -0.097 0.000 0.745 72 E HN 0.754 nan 8.360 nan 0.000 0.477 73 H N -0.839 118.208 119.070 -0.038 0.000 2.495 73 H HA -0.016 4.540 4.556 -0.000 0.000 0.287 73 H C 1.879 177.161 175.328 -0.078 0.000 1.033 73 H CA 0.913 56.919 56.048 -0.069 0.000 1.307 73 H CB 0.626 30.328 29.762 -0.100 0.000 1.401 73 H HN 0.061 nan 8.280 nan 0.000 0.555 74 V N 0.709 120.675 119.914 0.086 0.000 3.013 74 V HA -0.035 4.085 4.120 -0.000 0.000 0.238 74 V C 0.975 177.114 176.094 0.074 0.000 1.161 74 V CA 0.378 62.731 62.300 0.088 0.000 1.170 74 V CB 0.681 32.591 31.823 0.145 0.000 0.917 74 V HN 0.143 nan 8.190 nan 0.000 0.478 75 V N 0.847 120.789 119.914 0.047 0.000 2.599 75 V HA 0.606 4.726 4.120 -0.000 0.000 0.300 75 V C 1.177 177.282 176.094 0.019 0.000 1.034 75 V CA 0.862 63.179 62.300 0.028 0.000 1.115 75 V CB -0.224 31.608 31.823 0.014 0.000 0.934 75 V HN 0.821 nan 8.190 nan 0.000 0.485 76 G N 3.045 111.856 108.800 0.019 0.000 2.213 76 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 76 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 76 G C 0.004 174.916 174.900 0.020 0.000 0.992 76 G CA -0.030 45.077 45.100 0.013 0.000 0.632 76 G HN 0.875 nan 8.290 nan 0.000 0.511 77 L N 1.817 123.063 121.223 0.039 0.000 2.439 77 L HA 0.490 4.830 4.340 -0.000 0.000 0.269 77 L C 1.312 178.207 176.870 0.042 0.000 1.179 77 L CA 0.204 55.076 54.840 0.054 0.000 0.828 77 L CB 1.331 43.454 42.059 0.108 0.000 1.106 77 L HN 0.286 nan 8.230 nan 0.000 0.467 78 S N 1.372 117.093 115.700 0.035 0.000 2.505 78 S HA 0.121 4.591 4.470 -0.000 0.000 0.276 78 S C 1.122 175.729 174.600 0.011 0.000 1.274 78 S CA -0.860 57.350 58.200 0.017 0.000 1.053 78 S CB 1.172 64.379 63.200 0.013 0.000 0.919 78 S HN 0.392 nan 8.310 nan 0.000 0.490 79 V N 4.943 124.852 119.914 -0.008 0.000 2.255 79 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 79 V C 2.231 178.297 176.094 -0.047 0.000 1.051 79 V CA 2.291 64.569 62.300 -0.036 0.000 1.018 79 V CB -0.665 31.131 31.823 -0.044 0.000 0.641 79 V HN 0.854 nan 8.190 nan 0.000 0.445 80 D N -0.306 120.075 120.400 -0.032 0.000 2.149 80 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 80 D C 2.177 178.462 176.300 -0.026 0.000 0.990 80 D CA 1.557 55.538 54.000 -0.031 0.000 0.839 80 D CB -0.089 40.700 40.800 -0.019 0.000 0.948 80 D HN 0.401 nan 8.370 nan 0.000 0.460 81 K N 0.695 121.090 120.400 -0.009 0.000 2.148 81 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 81 K C 2.002 178.606 176.600 0.007 0.000 1.050 81 K CA 0.438 56.728 56.287 0.005 0.000 0.942 81 K CB 0.169 32.682 32.500 0.022 0.000 0.724 81 K HN -0.090 nan 8.250 nan 0.000 0.446 82 V N 0.659 120.571 119.914 -0.004 0.000 2.273 82 V HA -0.196 3.924 4.120 -0.000 0.000 0.242 82 V C 2.006 178.008 176.094 -0.153 0.000 1.035 82 V CA 1.325 63.604 62.300 -0.035 0.000 1.013 82 V CB -0.344 31.429 31.823 -0.084 0.000 0.652 82 V HN 0.213 nan 8.190 nan 0.000 0.452 83 I N 1.034 121.505 120.570 -0.166 0.000 2.315 83 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 83 I C 2.373 178.418 176.117 -0.120 0.000 1.125 83 I CA 1.789 62.977 61.300 -0.187 0.000 1.392 83 I CB -0.859 37.054 38.000 -0.146 0.000 1.065 83 I HN 0.255 nan 8.210 nan 0.000 0.424 84 A N -1.652 121.123 122.820 -0.075 0.000 2.072 84 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 84 A C 1.193 178.746 177.584 -0.053 0.000 1.156 84 A CA 0.874 52.883 52.037 -0.047 0.000 0.701 84 A CB -0.059 18.926 19.000 -0.026 0.000 0.816 84 A HN 0.318 nan 8.150 nan 0.000 0.458 85 D N 0.134 120.499 120.400 -0.058 0.000 2.552 85 D HA 0.253 4.893 4.640 -0.000 0.000 0.285 85 D C 0.261 176.541 176.300 -0.032 0.000 1.206 85 D CA -0.312 53.671 54.000 -0.029 0.000 0.826 85 D CB 0.593 41.403 40.800 0.015 0.000 1.179 85 D HN -0.018 nan 8.370 nan 0.000 0.508 86 L N 0.970 122.100 121.223 -0.154 0.000 2.362 86 L HA 0.078 4.418 4.340 -0.000 0.000 0.219 86 L C 2.371 179.280 176.870 0.064 0.000 1.134 86 L CA 1.309 56.023 54.840 -0.211 0.000 0.807 86 L CB -1.082 40.517 42.059 -0.766 0.000 0.927 86 L HN 0.363 nan 8.230 nan 0.000 0.447 87 G N -0.813 108.034 108.800 0.078 0.000 2.394 87 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.214 87 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.214 87 G C 1.696 176.677 174.900 0.134 0.000 1.176 87 G CA 0.726 45.907 45.100 0.135 0.000 0.786 87 G HN 0.451 nan 8.290 nan 0.000 0.533 88 A N 0.147 123.033 122.820 0.111 0.000 1.969 88 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 88 A C 2.133 179.791 177.584 0.123 0.000 1.169 88 A CA 1.377 53.472 52.037 0.098 0.000 0.635 88 A CB -0.484 18.561 19.000 0.075 0.000 0.810 88 A HN 0.400 nan 8.150 nan 0.000 0.445 89 F N 0.889 120.848 119.950 0.015 0.000 2.113 89 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 89 F C 2.499 178.329 175.800 0.050 0.000 1.103 89 F CA 1.298 59.310 58.000 0.020 0.000 1.248 89 F CB -0.287 38.706 39.000 -0.013 0.000 0.999 89 F HN 0.253 nan 8.300 nan 0.000 0.475 90 A N 0.861 123.880 122.820 0.331 0.000 1.858 90 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 90 A C 2.300 179.932 177.584 0.079 0.000 1.190 90 A CA 1.778 53.958 52.037 0.239 0.000 0.617 90 A CB -0.826 18.345 19.000 0.285 0.000 0.827 90 A HN 0.448 nan 8.150 nan 0.000 0.443 91 R N -1.004 119.543 120.500 0.079 0.000 2.105 91 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 91 R C 2.469 178.771 176.300 0.002 0.000 1.135 91 R CA 1.439 57.566 56.100 0.046 0.000 0.967 91 R CB -0.358 29.974 30.300 0.054 0.000 0.861 91 R HN 0.569 nan 8.270 nan 0.000 0.442 92 R N 0.579 121.053 120.500 -0.044 0.000 2.127 92 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 92 R C 1.542 177.798 176.300 -0.073 0.000 1.134 92 R CA 1.304 57.366 56.100 -0.063 0.000 0.975 92 R CB 0.034 30.252 30.300 -0.138 0.000 0.865 92 R HN 0.083 nan 8.270 nan 0.000 0.447 93 L N -0.724 120.410 121.223 -0.147 0.000 2.145 93 L HA 0.032 4.372 4.340 -0.000 0.000 0.201 93 L C 2.317 179.144 176.870 -0.071 0.000 1.075 93 L CA 1.616 56.342 54.840 -0.191 0.000 0.773 93 L CB -1.069 40.857 42.059 -0.222 0.000 0.936 93 L HN 0.041 nan 8.230 nan 0.000 0.451 94 T N 0.232 114.787 114.554 0.001 0.000 2.833 94 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 94 T C 1.430 176.156 174.700 0.044 0.000 1.054 94 T CA 1.221 63.357 62.100 0.059 0.000 1.135 94 T CB -0.132 68.794 68.868 0.097 0.000 0.869 94 T HN 0.228 nan 8.240 nan 0.000 0.466 95 N N 1.388 120.108 118.700 0.032 0.000 2.336 95 N HA 0.013 4.753 4.740 -0.000 0.000 0.189 95 N C 0.072 175.612 175.510 0.050 0.000 1.113 95 N CA 0.108 53.182 53.050 0.040 0.000 0.858 95 N CB -0.013 38.495 38.487 0.034 0.000 0.970 95 N HN 0.379 nan 8.380 nan 0.000 0.471 96 D N 1.152 121.581 120.400 0.049 0.000 2.348 96 D HA -0.010 4.630 4.640 -0.000 0.000 0.259 96 D C 1.149 177.499 176.300 0.084 0.000 1.296 96 D CA 0.048 54.096 54.000 0.081 0.000 0.931 96 D CB 0.652 41.517 40.800 0.107 0.000 1.067 96 D HN 0.149 nan 8.370 nan 0.000 0.503 97 S N 3.252 119.004 115.700 0.087 0.000 2.419 97 S HA -0.270 4.200 4.470 -0.000 0.000 0.235 97 S C 1.577 176.263 174.600 0.144 0.000 1.019 97 S CA 1.017 59.283 58.200 0.110 0.000 0.982 97 S CB -0.145 63.113 63.200 0.097 0.000 0.789 97 S HN 0.609 nan 8.310 nan 0.000 0.490 98 Q N -0.202 119.666 119.800 0.114 0.000 2.187 98 Q HA 0.166 4.506 4.340 -0.000 0.000 0.199 98 Q C 1.861 177.952 176.000 0.151 0.000 0.957 98 Q CA 0.780 56.652 55.803 0.115 0.000 0.857 98 Q CB -0.182 28.594 28.738 0.064 0.000 0.929 98 Q HN 0.395 nan 8.270 nan 0.000 0.453 99 L N 0.322 121.617 121.223 0.119 0.000 2.131 99 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 99 L C 2.056 178.987 176.870 0.102 0.000 1.087 99 L CA 1.519 56.414 54.840 0.093 0.000 0.767 99 L CB -0.347 41.730 42.059 0.030 0.000 0.917 99 L HN 0.063 nan 8.230 nan 0.000 0.441 100 R N -1.635 118.929 120.500 0.106 0.000 2.105 100 R HA -0.255 4.085 4.340 -0.000 0.000 0.239 100 R C 2.163 178.513 176.300 0.083 0.000 1.135 100 R CA 1.521 57.667 56.100 0.076 0.000 0.967 100 R CB -0.599 29.751 30.300 0.083 0.000 0.861 100 R HN 0.478 nan 8.270 nan 0.000 0.442 101 W N 1.219 122.520 121.300 0.000 0.000 2.350 101 W HA -0.184 4.476 4.660 -0.000 0.000 0.289 101 W C 0.988 177.502 176.519 -0.008 0.000 1.215 101 W CA 1.091 58.434 57.345 -0.003 0.000 1.236 101 W CB 0.034 29.495 29.460 0.002 0.000 1.130 101 W HN 0.088 nan 8.180 nan 0.000 0.541 102 L N 0.224 121.524 121.223 0.129 0.000 2.551 102 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 102 L C 2.031 178.877 176.870 -0.041 0.000 1.153 102 L CA 1.730 56.602 54.840 0.055 0.000 0.851 102 L CB -1.175 40.933 42.059 0.082 0.000 0.959 102 L HN -0.044 nan 8.230 nan 0.000 0.451 103 G N -0.954 107.798 108.800 -0.080 0.000 2.694 103 G HA2 0.285 4.245 3.960 -0.000 0.000 0.212 103 G HA3 0.285 4.245 3.960 -0.000 0.000 0.212 103 G C -2.331 172.458 174.900 -0.185 0.000 2.030 103 G CA 0.111 45.143 45.100 -0.113 0.000 0.731 103 G HN 0.093 nan 8.290 nan 0.000 0.795 104 P HA 0.333 nan 4.420 nan 0.000 0.290 104 P C -0.990 176.175 177.300 -0.225 0.000 1.275 104 P CA -0.038 62.973 63.100 -0.148 0.000 0.841 104 P CB 1.489 33.126 31.700 -0.104 0.000 1.042 105 E N 0.485 120.470 120.200 -0.359 0.000 2.252 105 E HA -0.217 4.133 4.350 -0.000 0.000 0.218 105 E C -0.040 176.243 176.600 -0.529 0.000 1.253 105 E CA 0.776 56.616 56.400 -0.933 0.000 0.705 105 E CB -1.537 27.762 29.700 -0.669 0.000 1.172 105 E HN 0.642 nan 8.360 nan 0.000 0.369 106 K N -2.012 118.277 120.400 -0.185 0.000 2.660 106 K HA 0.592 4.912 4.320 -0.000 0.000 0.285 106 K C 0.249 176.857 176.600 0.013 0.000 0.997 106 K CA -0.583 55.684 56.287 -0.034 0.000 0.861 106 K CB 1.293 33.737 32.500 -0.094 0.000 1.469 106 K HN 0.382 nan 8.250 nan 0.000 0.395 107 G N 0.583 109.379 108.800 -0.007 0.000 2.645 107 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.246 107 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.246 107 G C -0.034 174.863 174.900 -0.004 0.000 1.322 107 G CA -0.301 44.782 45.100 -0.028 0.000 0.898 107 G HN 0.678 nan 8.290 nan 0.000 0.573 113 I N 1.238 121.789 120.570 -0.030 0.000 2.179 113 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 113 I C 2.645 178.752 176.117 -0.017 0.000 1.088 113 I CA 1.635 62.920 61.300 -0.025 0.000 1.357 113 I CB -0.307 37.688 38.000 -0.008 0.000 1.051 113 I HN 0.449 nan 8.210 nan 0.000 0.409 114 G N 0.438 109.172 108.800 -0.110 0.000 2.450 114 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 114 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 114 G C 1.824 176.733 174.900 0.015 0.000 1.130 114 G CA 0.889 45.941 45.100 -0.079 0.000 0.760 114 G HN 0.505 nan 8.290 nan 0.000 0.557 115 A N 0.113 122.941 122.820 0.013 0.000 1.873 115 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 115 A C 2.601 180.232 177.584 0.079 0.000 1.186 115 A CA 1.749 53.807 52.037 0.036 0.000 0.616 115 A CB -0.621 18.398 19.000 0.031 0.000 0.823 115 A HN 0.247 nan 8.150 nan 0.000 0.442 116 V N 0.295 120.270 119.914 0.102 0.000 2.343 116 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 116 V C 2.419 178.684 176.094 0.285 0.000 1.051 116 V CA 1.961 64.364 62.300 0.173 0.000 1.036 116 V CB -0.691 31.239 31.823 0.178 0.000 0.654 116 V HN 0.556 nan 8.190 nan 0.000 0.451 117 I N 0.327 121.089 120.570 0.321 0.000 2.179 117 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 117 I C 2.440 178.792 176.117 0.392 0.000 1.088 117 I CA 1.498 63.050 61.300 0.420 0.000 1.357 117 I CB -0.521 37.699 38.000 0.366 0.000 1.051 117 I HN 0.355 nan 8.210 nan 0.000 0.409 118 N N 1.153 120.029 118.700 0.293 0.000 2.104 118 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 118 N C 1.877 177.600 175.510 0.355 0.000 1.024 118 N CA 1.680 54.949 53.050 0.366 0.000 0.853 118 N CB -0.400 38.179 38.487 0.153 0.000 1.008 118 N HN 0.369 nan 8.380 nan 0.000 0.424 119 A N 0.877 123.805 122.820 0.180 0.000 1.933 119 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 119 A C 2.357 179.952 177.584 0.018 0.000 1.175 119 A CA 1.905 53.997 52.037 0.092 0.000 0.628 119 A CB -0.715 18.292 19.000 0.012 0.000 0.814 119 A HN 0.331 nan 8.150 nan 0.000 0.444 120 A N -1.527 121.254 122.820 -0.065 0.000 1.930 120 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 120 A C 1.920 179.353 177.584 -0.252 0.000 1.175 120 A CA 1.344 53.160 52.037 -0.369 0.000 0.627 120 A CB -0.788 17.627 19.000 -0.976 0.000 0.815 120 A HN 0.725 nan 8.150 nan 0.000 0.443 121 W N -0.024 121.184 121.300 -0.153 0.000 2.388 121 W HA -0.036 4.624 4.660 0.000 0.000 0.294 121 W C 1.943 178.325 176.519 -0.228 0.000 1.212 121 W CA 1.218 58.465 57.345 -0.164 0.000 1.271 121 W CB -0.364 29.044 29.460 -0.087 0.000 1.126 121 W HN 0.515 nan 8.180 nan 0.000 0.535 122 D N 0.110 120.621 120.400 0.185 0.000 2.097 122 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 122 D C 2.161 178.429 176.300 -0.053 0.000 0.989 122 D CA 1.377 55.449 54.000 0.121 0.000 0.827 122 D CB -0.418 40.544 40.800 0.270 0.000 0.966 122 D HN 0.055 nan 8.370 nan 0.000 0.456 123 L N -0.073 121.091 121.223 -0.097 0.000 2.012 123 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 123 L C 2.319 179.032 176.870 -0.262 0.000 1.073 123 L CA 1.748 56.490 54.840 -0.164 0.000 0.748 123 L CB -0.538 41.402 42.059 -0.199 0.000 0.891 123 L HN 0.161 nan 8.230 nan 0.000 0.431 124 A N -0.520 122.060 122.820 -0.400 0.000 1.933 124 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 124 A C 2.405 179.459 177.584 -0.884 0.000 1.175 124 A CA 1.658 53.337 52.037 -0.596 0.000 0.628 124 A CB -0.729 17.842 19.000 -0.716 0.000 0.814 124 A HN 0.576 nan 8.150 nan 0.000 0.444 125 A N 0.188 122.463 122.820 -0.908 0.000 1.902 125 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 125 A C 2.234 179.617 177.584 -0.335 0.000 1.181 125 A CA 1.415 52.998 52.037 -0.757 0.000 0.623 125 A CB -0.460 18.275 19.000 -0.442 0.000 0.818 125 A HN 0.514 nan 8.150 nan 0.000 0.443 126 R N -0.090 120.280 120.500 -0.216 0.000 2.073 126 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 126 R C 2.411 178.651 176.300 -0.100 0.000 1.134 126 R CA 1.451 57.493 56.100 -0.097 0.000 0.952 126 R CB -1.176 29.102 30.300 -0.036 0.000 0.850 126 R HN 0.485 nan 8.270 nan 0.000 0.433 127 A N 1.825 124.560 122.820 -0.141 0.000 1.908 127 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 127 A C 2.361 179.904 177.584 -0.070 0.000 1.181 127 A CA 1.857 53.834 52.037 -0.100 0.000 0.627 127 A CB -0.532 18.397 19.000 -0.120 0.000 0.818 127 A HN 0.406 nan 8.150 nan 0.000 0.445 128 A N -1.405 121.359 122.820 -0.093 0.000 2.206 128 A HA 0.112 4.432 4.320 -0.000 0.000 0.211 128 A C 1.015 178.604 177.584 0.008 0.000 1.158 128 A CA 0.730 52.778 52.037 0.018 0.000 0.761 128 A CB -0.564 18.550 19.000 0.190 0.000 0.801 128 A HN 0.634 nan 8.150 nan 0.000 0.473 129 N N -0.643 118.039 118.700 -0.031 0.000 2.738 129 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 129 N C -0.907 174.595 175.510 -0.014 0.000 1.047 129 N CA 1.268 54.308 53.050 -0.017 0.000 0.707 129 N CB -0.851 37.634 38.487 -0.003 0.000 0.937 129 N HN 0.708 nan 8.380 nan 0.000 0.545 130 K N 0.041 120.424 120.400 -0.029 0.000 2.508 130 K HA 0.506 4.826 4.320 -0.000 0.000 0.260 130 K C -2.649 173.913 176.600 -0.064 0.000 0.949 130 K CA -1.519 54.741 56.287 -0.045 0.000 0.834 130 K CB 2.462 34.955 32.500 -0.012 0.000 1.365 130 K HN -0.046 nan 8.250 nan 0.000 0.437 131 P HA -0.002 nan 4.420 nan 0.000 0.275 131 P C 0.573 177.828 177.300 -0.075 0.000 1.228 131 P CA -0.423 62.675 63.100 -0.004 0.000 0.786 131 P CB 0.839 32.581 31.700 0.070 0.000 0.927 132 L N 5.016 126.187 121.223 -0.087 0.000 2.021 132 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 132 L C 2.347 179.279 176.870 0.104 0.000 1.074 132 L CA 2.025 56.782 54.840 -0.138 0.000 0.760 132 L CB -1.657 39.990 42.059 -0.687 0.000 0.889 132 L HN 0.574 nan 8.230 nan 0.000 0.433 133 W N -0.332 121.139 121.300 0.285 0.000 2.325 133 W HA -0.233 4.427 4.660 0.000 0.000 0.299 133 W C 2.094 178.691 176.519 0.130 0.000 1.215 133 W CA 1.279 58.724 57.345 0.167 0.000 1.244 133 W CB -1.269 28.268 29.460 0.127 0.000 1.140 133 W HN 0.175 nan 8.180 nan 0.000 0.523 134 R N -0.201 119.886 120.500 -0.688 0.000 2.093 134 R HA -0.092 4.248 4.340 -0.000 0.000 0.224 134 R C 2.295 178.477 176.300 -0.197 0.000 1.101 134 R CA 1.514 57.226 56.100 -0.646 0.000 0.979 134 R CB -0.995 28.725 30.300 -0.966 0.000 0.877 134 R HN 0.164 nan 8.270 nan 0.000 0.441 135 F N 1.752 121.572 119.950 -0.217 0.000 2.126 135 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 135 F C 1.955 177.752 175.800 -0.006 0.000 1.096 135 F CA 1.410 59.353 58.000 -0.095 0.000 1.255 135 F CB -0.194 38.767 39.000 -0.064 0.000 0.997 135 F HN -0.120 nan 8.300 nan 0.000 0.479 136 I N 0.101 120.702 120.570 0.052 0.000 2.163 136 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 136 I C 2.652 178.747 176.117 -0.037 0.000 1.081 136 I CA 1.250 62.566 61.300 0.025 0.000 1.353 136 I CB -1.027 37.020 38.000 0.080 0.000 1.054 136 I HN 0.189 nan 8.210 nan 0.000 0.407 137 A N 0.188 123.016 122.820 0.012 0.000 2.070 137 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 137 A C 1.952 179.512 177.584 -0.039 0.000 1.159 137 A CA 1.390 53.441 52.037 0.024 0.000 0.656 137 A CB -0.504 18.570 19.000 0.124 0.000 0.800 137 A HN 0.495 nan 8.150 nan 0.000 0.453 138 E N -0.596 119.541 120.200 -0.105 0.000 2.474 138 E HA 0.232 4.582 4.350 -0.000 0.000 0.195 138 E C -0.376 176.126 176.600 -0.163 0.000 1.039 138 E CA -0.408 55.920 56.400 -0.121 0.000 0.881 138 E CB 0.114 29.738 29.700 -0.127 0.000 0.970 138 E HN 0.548 nan 8.360 nan 0.000 0.486 139 L N 1.719 122.820 121.223 -0.203 0.000 2.436 139 L HA 0.141 4.481 4.340 -0.000 0.000 0.265 139 L C 1.016 177.823 176.870 -0.105 0.000 1.168 139 L CA -0.534 54.182 54.840 -0.206 0.000 0.815 139 L CB 0.579 42.501 42.059 -0.229 0.000 1.109 139 L HN 0.058 nan 8.230 nan 0.000 0.462 140 T N -1.332 113.172 114.554 -0.082 0.000 2.898 140 T HA 0.132 4.482 4.350 -0.000 0.000 0.301 140 T C -1.873 172.813 174.700 -0.024 0.000 1.049 140 T CA -1.458 60.614 62.100 -0.046 0.000 1.095 140 T CB 1.023 69.868 68.868 -0.038 0.000 0.976 140 T HN 0.368 nan 8.240 nan 0.000 0.539 141 P HA -0.114 nan 4.420 nan 0.000 0.217 141 P C 1.169 178.484 177.300 0.024 0.000 1.148 141 P CA 1.111 64.216 63.100 0.008 0.000 0.834 141 P CB 0.074 31.776 31.700 0.004 0.000 0.783 142 E N -0.736 119.472 120.200 0.013 0.000 2.072 142 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 142 E C 2.137 178.756 176.600 0.032 0.000 0.982 142 E CA 1.084 57.498 56.400 0.022 0.000 0.803 142 E CB -0.790 28.915 29.700 0.007 0.000 0.755 142 E HN 0.375 nan 8.360 nan 0.000 0.453 143 Q N -0.170 119.636 119.800 0.009 0.000 2.124 143 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 143 Q C 1.852 177.876 176.000 0.041 0.000 0.977 143 Q CA 0.686 56.491 55.803 0.003 0.000 0.850 143 Q CB -0.025 28.684 28.738 -0.049 0.000 0.901 143 Q HN 0.192 nan 8.270 nan 0.000 0.429 144 L N -0.020 121.233 121.223 0.050 0.000 1.976 144 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 144 L C 2.359 179.307 176.870 0.131 0.000 1.071 144 L CA 1.431 56.328 54.840 0.095 0.000 0.746 144 L CB -1.256 40.843 42.059 0.067 0.000 0.890 144 L HN 0.123 nan 8.230 nan 0.000 0.432 145 V N 0.173 120.174 119.914 0.145 0.000 2.469 145 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 145 V C 2.127 178.384 176.094 0.271 0.000 1.064 145 V CA 1.616 64.066 62.300 0.251 0.000 1.066 145 V CB -0.570 31.402 31.823 0.247 0.000 0.667 145 V HN 0.415 nan 8.190 nan 0.000 0.461 146 D N 0.096 120.600 120.400 0.174 0.000 2.264 146 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 146 D C 2.307 178.694 176.300 0.146 0.000 0.966 146 D CA 1.749 55.840 54.000 0.153 0.000 0.864 146 D CB -0.116 40.739 40.800 0.091 0.000 0.933 146 D HN 0.665 nan 8.370 nan 0.000 0.499 147 T N -1.227 113.420 114.554 0.155 0.000 3.067 147 T HA -0.002 4.348 4.350 -0.000 0.000 0.261 147 T C 1.029 175.809 174.700 0.133 0.000 1.110 147 T CA -0.319 61.896 62.100 0.192 0.000 1.113 147 T CB -0.168 68.916 68.868 0.360 0.000 0.917 147 T HN 0.107 nan 8.240 nan 0.000 0.499 148 I N 0.829 121.412 120.570 0.021 0.000 2.499 148 I HA 0.545 4.715 4.170 -0.000 0.000 0.296 148 I C -0.736 175.218 176.117 -0.273 0.000 0.992 148 I CA -0.847 60.334 61.300 -0.198 0.000 1.297 148 I CB 1.172 38.895 38.000 -0.462 0.000 1.410 148 I HN -0.163 nan 8.210 nan 0.000 0.507 149 D N 5.427 125.690 120.400 -0.229 0.000 2.411 149 D HA 0.188 4.828 4.640 -0.000 0.000 0.225 149 D C 0.129 176.308 176.300 -0.202 0.000 1.156 149 D CA -0.049 53.881 54.000 -0.117 0.000 0.874 149 D CB 0.086 40.874 40.800 -0.019 0.000 1.034 149 D HN 0.525 nan 8.370 nan 0.000 0.502 150 F N 1.735 121.699 119.950 0.022 0.000 2.811 150 F HA 0.109 4.636 4.527 -0.000 0.000 0.301 150 F C 1.740 177.531 175.800 -0.016 0.000 1.151 150 F CA -0.178 57.834 58.000 0.019 0.000 1.412 150 F CB -0.052 38.958 39.000 0.017 0.000 1.113 150 F HN 0.162 nan 8.300 nan 0.000 0.579 151 R N 0.436 120.958 120.500 0.037 0.000 2.585 151 R HA -0.118 4.222 4.340 -0.000 0.000 0.275 151 R C -0.217 175.997 176.300 -0.144 0.000 1.018 151 R CA 0.386 56.370 56.100 -0.193 0.000 1.072 151 R CB -0.058 29.985 30.300 -0.429 0.000 0.953 151 R HN 0.333 nan 8.270 nan 0.000 0.419 152 Y N 1.215 121.562 120.300 0.080 0.000 4.907 152 Y HA -0.268 4.282 4.550 0.000 0.000 0.246 152 Y C 0.599 176.548 175.900 0.082 0.000 0.968 152 Y CA 0.746 58.884 58.100 0.063 0.000 1.961 152 Y CB -1.809 36.674 38.460 0.038 0.000 1.487 152 Y HN 0.643 nan 8.280 nan 0.000 0.575 153 L N -0.899 120.458 121.223 0.224 0.000 2.817 153 L HA 0.115 4.455 4.340 -0.000 0.000 0.248 153 L C 2.017 179.010 176.870 0.205 0.000 1.133 153 L CA 0.796 55.765 54.840 0.214 0.000 0.935 153 L CB 0.054 42.244 42.059 0.218 0.000 1.266 153 L HN 0.269 nan 8.230 nan 0.000 0.535 154 S N -0.058 115.744 115.700 0.170 0.000 2.440 154 S HA -0.199 4.271 4.470 -0.000 0.000 0.238 154 S C 1.389 176.051 174.600 0.105 0.000 1.010 154 S CA 1.432 59.705 58.200 0.120 0.000 0.972 154 S CB -0.430 62.816 63.200 0.076 0.000 0.774 154 S HN 0.596 nan 8.310 nan 0.000 0.501 155 D N 0.929 121.402 120.400 0.122 0.000 2.349 155 D HA 0.290 4.930 4.640 -0.000 0.000 0.224 155 D C 1.290 177.672 176.300 0.137 0.000 1.029 155 D CA 0.766 54.832 54.000 0.110 0.000 0.879 155 D CB 0.035 40.899 40.800 0.106 0.000 0.906 155 D HN 0.611 nan 8.370 nan 0.000 0.528 156 A N -0.400 122.525 122.820 0.174 0.000 2.150 156 A HA 0.387 4.707 4.320 -0.000 0.000 0.191 156 A C 0.212 177.920 177.584 0.206 0.000 1.591 156 A CA -0.150 52.031 52.037 0.240 0.000 1.142 156 A CB 0.677 19.901 19.000 0.374 0.000 1.326 156 A HN 0.142 nan 8.150 nan 0.000 0.470 157 L N 1.573 122.918 121.223 0.202 0.000 2.620 157 L HA 0.460 4.800 4.340 -0.000 0.000 0.261 157 L C -0.168 176.840 176.870 0.229 0.000 0.978 157 L CA 0.177 55.140 54.840 0.206 0.000 0.897 157 L CB 1.289 43.503 42.059 0.258 0.000 1.207 157 L HN 0.294 nan 8.230 nan 0.000 0.425 158 T N 0.253 114.857 114.554 0.085 0.000 2.849 158 T HA 0.363 4.713 4.350 -0.000 0.000 0.284 158 T C 1.254 175.795 174.700 -0.265 0.000 1.004 158 T CA 0.068 62.121 62.100 -0.078 0.000 1.021 158 T CB 1.112 69.925 68.868 -0.092 0.000 1.013 158 T HN 0.750 nan 8.240 nan 0.000 0.527 159 R N 0.480 120.507 120.500 -0.789 0.000 2.189 159 R HA -0.044 4.296 4.340 -0.000 0.000 0.223 159 R C 1.246 177.374 176.300 -0.287 0.000 1.092 159 R CA 1.437 56.985 56.100 -0.920 0.000 0.989 159 R CB -0.604 28.974 30.300 -1.203 0.000 0.876 159 R HN 0.597 nan 8.270 nan 0.000 0.457 160 D N 1.146 121.421 120.400 -0.208 0.000 2.123 160 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 160 D C 1.570 177.838 176.300 -0.053 0.000 0.976 160 D CA 1.331 55.268 54.000 -0.104 0.000 0.831 160 D CB -0.078 40.670 40.800 -0.087 0.000 0.974 160 D HN 0.493 nan 8.370 nan 0.000 0.469 161 E N 0.664 120.840 120.200 -0.041 0.000 2.106 161 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 161 E C 2.071 178.689 176.600 0.031 0.000 0.984 161 E CA 0.839 57.237 56.400 -0.005 0.000 0.806 161 E CB 0.033 29.736 29.700 0.005 0.000 0.750 161 E HN 0.156 nan 8.360 nan 0.000 0.458 162 A N 1.069 123.933 122.820 0.074 0.000 1.898 162 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 162 A C 2.165 179.799 177.584 0.082 0.000 1.181 162 A CA 0.941 53.059 52.037 0.135 0.000 0.620 162 A CB -0.580 18.608 19.000 0.314 0.000 0.819 162 A HN 0.134 nan 8.150 nan 0.000 0.442 163 L N -0.747 120.505 121.223 0.048 0.000 2.046 163 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 163 L C 3.137 180.014 176.870 0.011 0.000 1.077 163 L CA 1.033 55.889 54.840 0.026 0.000 0.747 163 L CB -0.568 41.491 42.059 0.000 0.000 0.896 163 L HN 0.461 nan 8.230 nan 0.000 0.432 164 A N 0.526 123.348 122.820 0.002 0.000 1.873 164 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 164 A C 2.186 179.769 177.584 -0.002 0.000 1.193 164 A CA 1.888 53.922 52.037 -0.005 0.000 0.629 164 A CB -0.783 18.210 19.000 -0.011 0.000 0.826 164 A HN 0.361 nan 8.150 nan 0.000 0.447 165 I N -0.410 120.164 120.570 0.007 0.000 2.163 165 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 165 I C 2.409 178.527 176.117 0.002 0.000 1.085 165 I CA 1.369 62.672 61.300 0.005 0.000 1.347 165 I CB -0.387 37.623 38.000 0.018 0.000 1.044 165 I HN 0.300 nan 8.210 nan 0.000 0.408 166 L N -0.044 121.187 121.223 0.012 0.000 2.093 166 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 166 L C 2.731 179.598 176.870 -0.005 0.000 1.085 166 L CA 1.290 56.134 54.840 0.006 0.000 0.755 166 L CB -0.512 41.560 42.059 0.021 0.000 0.904 166 L HN 0.159 nan 8.230 nan 0.000 0.435 167 R N -0.147 120.350 120.500 -0.005 0.000 2.073 167 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 167 R C 1.702 177.993 176.300 -0.016 0.000 1.120 167 R CA 1.250 57.343 56.100 -0.011 0.000 0.967 167 R CB -0.198 30.096 30.300 -0.010 0.000 0.862 167 R HN 0.268 nan 8.270 nan 0.000 0.436 168 D N 0.008 120.398 120.400 -0.016 0.000 2.350 168 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 168 D C 1.149 177.431 176.300 -0.029 0.000 0.968 168 D CA 0.937 54.925 54.000 -0.021 0.000 0.894 168 D CB 0.193 40.982 40.800 -0.019 0.000 0.909 168 D HN 0.285 nan 8.370 nan 0.000 0.520 169 A N -0.158 122.644 122.820 -0.031 0.000 2.197 169 A HA 0.023 4.343 4.320 -0.000 0.000 0.210 169 A C 1.938 179.494 177.584 -0.047 0.000 1.180 169 A CA 0.063 52.072 52.037 -0.047 0.000 0.846 169 A CB -0.103 18.865 19.000 -0.052 0.000 0.884 169 A HN 0.083 nan 8.150 nan 0.000 0.487 170 Q N 0.476 120.256 119.800 -0.033 0.000 2.152 170 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 170 Q C -0.834 175.148 176.000 -0.030 0.000 0.985 170 Q CA 2.243 58.028 55.803 -0.029 0.000 0.863 170 Q CB -0.748 27.977 28.738 -0.023 0.000 0.904 170 Q HN 0.469 nan 8.270 nan 0.000 0.422 171 P HA -0.146 nan 4.420 nan 0.000 0.215 171 P C 0.461 177.744 177.300 -0.029 0.000 1.153 171 P CA 1.329 64.414 63.100 -0.025 0.000 0.853 171 P CB 0.048 31.734 31.700 -0.024 0.000 0.788 172 Q N -1.530 118.244 119.800 -0.044 0.000 2.403 172 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 172 Q C 1.848 177.812 176.000 -0.060 0.000 0.932 172 Q CA 0.350 56.121 55.803 -0.054 0.000 0.945 172 Q CB -0.434 28.256 28.738 -0.079 0.000 1.045 172 Q HN 0.148 nan 8.270 nan 0.000 0.511 173 R N 0.227 120.699 120.500 -0.046 0.000 2.091 173 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 173 R C 2.026 178.332 176.300 0.010 0.000 1.136 173 R CA 1.504 57.588 56.100 -0.027 0.000 0.959 173 R CB -0.379 29.911 30.300 -0.016 0.000 0.856 173 R HN 0.332 nan 8.270 nan 0.000 0.437 174 A N 0.695 123.521 122.820 0.010 0.000 1.877 174 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 174 A C 2.314 179.924 177.584 0.043 0.000 1.186 174 A CA 1.696 53.750 52.037 0.029 0.000 0.620 174 A CB -0.789 18.221 19.000 0.016 0.000 0.822 174 A HN 0.415 nan 8.150 nan 0.000 0.443 175 A N 0.017 122.851 122.820 0.023 0.000 1.858 175 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 175 A C 2.222 179.842 177.584 0.059 0.000 1.190 175 A CA 1.517 53.573 52.037 0.032 0.000 0.617 175 A CB -0.555 18.451 19.000 0.009 0.000 0.827 175 A HN 0.543 nan 8.150 nan 0.000 0.443 176 R N -0.803 119.708 120.500 0.018 0.000 2.117 176 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 176 R C 2.229 178.669 176.300 0.234 0.000 1.143 176 R CA 1.800 57.927 56.100 0.045 0.000 0.968 176 R CB -0.973 29.129 30.300 -0.330 0.000 0.863 176 R HN 0.536 nan 8.270 nan 0.000 0.444 177 T N 0.996 115.669 114.554 0.198 0.000 2.684 177 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 177 T C 1.989 176.843 174.700 0.256 0.000 1.036 177 T CA 1.571 63.855 62.100 0.307 0.000 1.148 177 T CB -0.247 68.778 68.868 0.262 0.000 0.863 177 T HN 0.430 nan 8.240 nan 0.000 0.436 178 A N 1.292 124.214 122.820 0.169 0.000 1.873 178 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 178 A C 2.574 180.223 177.584 0.108 0.000 1.186 178 A CA 2.089 54.202 52.037 0.126 0.000 0.616 178 A CB -1.303 17.748 19.000 0.086 0.000 0.823 178 A HN 0.479 nan 8.150 nan 0.000 0.442 179 T N 0.454 115.081 114.554 0.122 0.000 2.665 179 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 179 T C 1.849 176.572 174.700 0.039 0.000 1.035 179 T CA 1.425 63.582 62.100 0.095 0.000 1.151 179 T CB -0.441 68.528 68.868 0.168 0.000 0.862 179 T HN 0.353 nan 8.240 nan 0.000 0.438 180 L N 0.525 121.793 121.223 0.075 0.000 2.017 180 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 180 L C 2.395 179.211 176.870 -0.090 0.000 1.073 180 L CA 1.719 56.505 54.840 -0.089 0.000 0.745 180 L CB -0.410 41.586 42.059 -0.105 0.000 0.894 180 L HN 0.316 nan 8.230 nan 0.000 0.432 181 I N -0.380 120.200 120.570 0.017 0.000 2.454 181 I HA -0.300 3.870 4.170 -0.000 0.000 0.254 181 I C 2.461 178.590 176.117 0.020 0.000 1.156 181 I CA 1.262 62.595 61.300 0.055 0.000 1.433 181 I CB -0.215 37.881 38.000 0.159 0.000 1.082 181 I HN 0.450 nan 8.210 nan 0.000 0.432 182 E N 0.660 120.864 120.200 0.007 0.000 2.127 182 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 182 E C 1.932 178.508 176.600 -0.040 0.000 0.964 182 E CA 0.600 56.995 56.400 -0.008 0.000 0.832 182 E CB 0.235 29.936 29.700 0.002 0.000 0.790 182 E HN 0.538 nan 8.360 nan 0.000 0.465 183 Q N -0.295 119.465 119.800 -0.066 0.000 2.378 183 Q HA 0.226 4.566 4.340 -0.000 0.000 0.216 183 Q C 0.622 176.549 176.000 -0.123 0.000 0.892 183 Q CA 0.278 56.023 55.803 -0.096 0.000 0.931 183 Q CB 1.444 30.114 28.738 -0.113 0.000 1.086 183 Q HN 0.301 nan 8.270 nan 0.000 0.528 184 G N 1.017 109.736 108.800 -0.136 0.000 2.828 184 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.463 184 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.463 184 G C -1.412 173.394 174.900 -0.158 0.000 1.394 184 G CA -0.586 44.438 45.100 -0.126 0.000 0.862 184 G HN 0.208 nan 8.290 nan 0.000 0.540 185 Y N 1.147 121.322 120.300 -0.209 0.000 2.377 185 Y HA 0.610 5.160 4.550 -0.000 0.000 0.339 185 Y C -1.955 173.892 175.900 -0.087 0.000 1.011 185 Y CA -2.183 55.782 58.100 -0.225 0.000 1.093 185 Y CB 2.031 40.335 38.460 -0.261 0.000 1.201 185 Y HN 0.477 nan 8.280 nan 0.000 0.455 186 P HA 0.182 nan 4.420 nan 0.000 0.264 186 P C -1.331 176.175 177.300 0.344 0.000 1.183 186 P CA 0.463 63.629 63.100 0.110 0.000 0.763 186 P CB 0.627 32.316 31.700 -0.018 0.000 0.807 187 A N 3.368 126.368 122.820 0.300 0.000 2.430 187 A HA 0.837 5.157 4.320 -0.000 0.000 0.300 187 A C -1.503 176.444 177.584 0.605 0.000 1.124 187 A CA -0.523 51.779 52.037 0.441 0.000 0.766 187 A CB 1.169 20.319 19.000 0.249 0.000 1.328 187 A HN 0.608 nan 8.150 nan 0.000 0.424 188 Y N -1.051 119.538 120.300 0.481 0.000 2.562 188 Y HA 0.755 5.305 4.550 -0.000 0.000 0.345 188 Y C -0.301 175.645 175.900 0.076 0.000 1.045 188 Y CA -0.568 57.738 58.100 0.344 0.000 1.028 188 Y CB 1.344 40.009 38.460 0.342 0.000 1.297 188 Y HN 0.713 nan 8.280 nan 0.000 0.463 189 T N -0.447 114.023 114.554 -0.140 0.000 2.895 189 T HA 0.483 4.833 4.350 -0.000 0.000 0.283 189 T C 0.009 174.632 174.700 -0.128 0.000 1.014 189 T CA -0.623 61.283 62.100 -0.324 0.000 1.037 189 T CB 1.745 70.225 68.868 -0.645 0.000 1.006 189 T HN 0.783 nan 8.240 nan 0.000 0.468 190 T N 0.510 114.922 114.554 -0.236 0.000 3.004 190 T HA 0.145 4.495 4.350 -0.000 0.000 0.266 190 T C 2.069 176.433 174.700 -0.560 0.000 0.986 190 T CA -0.183 61.684 62.100 -0.389 0.000 0.902 190 T CB 0.068 68.633 68.868 -0.505 0.000 1.118 190 T HN 0.559 nan 8.240 nan 0.000 0.522 191 S N 2.768 118.348 115.700 -0.201 0.000 2.387 191 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 191 S C -0.387 174.335 174.600 0.204 0.000 1.035 191 S CA 1.208 59.496 58.200 0.147 0.000 1.014 191 S CB -0.721 62.601 63.200 0.204 0.000 0.836 191 S HN 0.541 nan 8.310 nan 0.000 0.466 192 P HA 0.145 nan 4.420 nan 0.000 0.240 192 P C 1.023 178.362 177.300 0.065 0.000 1.190 192 P CA 0.772 63.968 63.100 0.160 0.000 0.781 192 P CB -0.162 31.571 31.700 0.055 0.000 0.931 193 G N -1.087 107.585 108.800 -0.214 0.000 3.088 193 G HA2 0.036 3.996 3.960 -0.000 0.000 0.217 193 G HA3 0.036 3.996 3.960 -0.000 0.000 0.217 193 G C 0.010 174.682 174.900 -0.379 0.000 1.159 193 G CA -0.401 44.530 45.100 -0.282 0.000 0.760 193 G HN 0.125 nan 8.290 nan 0.000 0.550 194 W N 0.391 121.417 121.300 -0.456 0.000 2.187 194 W HA 0.374 5.034 4.660 -0.000 0.000 0.348 194 W C 0.795 176.956 176.519 -0.597 0.000 1.282 194 W CA -0.782 56.227 57.345 -0.559 0.000 1.271 194 W CB 0.581 29.627 29.460 -0.691 0.000 1.170 194 W HN -0.170 nan 8.180 nan 0.000 0.583 195 L N 2.263 123.463 121.223 -0.039 0.000 2.395 195 L HA 0.412 4.752 4.340 -0.000 0.000 0.269 195 L C 1.278 178.135 176.870 -0.021 0.000 1.133 195 L CA 0.640 55.462 54.840 -0.031 0.000 0.812 195 L CB 0.546 42.621 42.059 0.026 0.000 1.125 195 L HN 0.931 nan 8.230 nan 0.000 0.452 196 G N 1.177 110.022 108.800 0.074 0.000 2.201 196 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.212 196 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.212 196 G C -0.310 174.807 174.900 0.362 0.000 0.994 196 G CA -0.672 44.531 45.100 0.171 0.000 0.644 196 G HN 0.370 nan 8.290 nan 0.000 0.508 197 Y N 2.636 122.979 120.300 0.072 0.000 2.316 197 Y HA 0.597 5.147 4.550 -0.000 0.000 0.331 197 Y C 1.258 177.181 175.900 0.038 0.000 1.083 197 Y CA -1.247 56.889 58.100 0.059 0.000 1.206 197 Y CB 1.210 39.715 38.460 0.076 0.000 1.195 197 Y HN 0.384 nan 8.280 nan 0.000 0.497 198 S N 0.550 116.337 115.700 0.145 0.000 2.572 198 S HA -0.004 4.466 4.470 -0.000 0.000 0.279 198 S C 0.552 175.194 174.600 0.070 0.000 1.341 198 S CA -0.651 57.596 58.200 0.078 0.000 1.043 198 S CB 0.616 63.834 63.200 0.031 0.000 0.887 198 S HN 0.599 nan 8.310 nan 0.000 0.516 199 D N 1.160 121.589 120.400 0.048 0.000 2.417 199 D HA -0.002 4.638 4.640 -0.000 0.000 0.240 199 D C 1.327 177.637 176.300 0.017 0.000 1.062 199 D CA 1.243 55.261 54.000 0.030 0.000 0.959 199 D CB -0.009 40.799 40.800 0.014 0.000 0.877 199 D HN 0.873 nan 8.370 nan 0.000 0.528 200 E N -1.393 118.817 120.200 0.017 0.000 2.444 200 E HA 0.077 4.427 4.350 -0.000 0.000 0.209 200 E C 1.626 178.224 176.600 -0.004 0.000 0.806 200 E CA -0.118 56.284 56.400 0.003 0.000 1.240 200 E CB -0.345 29.353 29.700 -0.003 0.000 1.238 200 E HN -0.020 nan 8.360 nan 0.000 0.591 201 K N 0.974 121.366 120.400 -0.013 0.000 2.148 201 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 201 K C 1.907 178.504 176.600 -0.004 0.000 1.050 201 K CA 1.123 57.373 56.287 -0.063 0.000 0.942 201 K CB -0.028 32.367 32.500 -0.176 0.000 0.724 201 K HN 0.261 nan 8.250 nan 0.000 0.446 202 L N 1.497 122.763 121.223 0.072 0.000 2.044 202 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 202 L C 2.160 179.060 176.870 0.050 0.000 1.075 202 L CA 1.778 56.686 54.840 0.113 0.000 0.747 202 L CB -0.826 41.301 42.059 0.113 0.000 0.903 202 L HN 0.179 nan 8.230 nan 0.000 0.435 203 V N -1.645 118.283 119.914 0.023 0.000 2.515 203 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 203 V C 2.748 178.848 176.094 0.010 0.000 1.058 203 V CA 1.707 64.012 62.300 0.008 0.000 1.064 203 V CB -1.100 30.722 31.823 -0.001 0.000 0.675 203 V HN 0.484 nan 8.190 nan 0.000 0.461 204 R N -0.406 120.099 120.500 0.008 0.000 2.062 204 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 204 R C 2.242 178.551 176.300 0.015 0.000 1.125 204 R CA 1.321 57.424 56.100 0.005 0.000 0.966 204 R CB -0.293 30.002 30.300 -0.008 0.000 0.861 204 R HN 0.429 nan 8.270 nan 0.000 0.433 205 L N 1.087 122.323 121.223 0.021 0.000 2.083 205 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 205 L C 2.478 179.372 176.870 0.039 0.000 1.083 205 L CA 2.007 56.871 54.840 0.040 0.000 0.752 205 L CB -1.013 41.093 42.059 0.079 0.000 0.899 205 L HN 0.322 nan 8.230 nan 0.000 0.433 206 A N -0.884 121.955 122.820 0.031 0.000 1.877 206 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 206 A C 2.371 179.972 177.584 0.028 0.000 1.186 206 A CA 1.731 53.780 52.037 0.020 0.000 0.620 206 A CB -0.381 18.623 19.000 0.007 0.000 0.822 206 A HN 0.376 nan 8.150 nan 0.000 0.443 207 K N -0.276 120.140 120.400 0.026 0.000 2.057 207 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 207 K C 1.982 178.606 176.600 0.039 0.000 1.049 207 K CA 1.569 57.873 56.287 0.029 0.000 0.931 207 K CB -0.174 32.338 32.500 0.020 0.000 0.714 207 K HN 0.622 nan 8.250 nan 0.000 0.440 208 E N 0.581 120.806 120.200 0.042 0.000 2.077 208 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 208 E C 2.109 178.761 176.600 0.087 0.000 0.989 208 E CA 0.986 57.418 56.400 0.053 0.000 0.800 208 E CB -0.140 29.590 29.700 0.050 0.000 0.746 208 E HN 0.324 nan 8.360 nan 0.000 0.452 209 A N 1.186 124.064 122.820 0.097 0.000 1.865 209 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 209 A C 2.559 180.276 177.584 0.221 0.000 1.191 209 A CA 1.558 53.700 52.037 0.175 0.000 0.623 209 A CB -0.891 18.136 19.000 0.045 0.000 0.826 209 A HN 0.128 nan 8.150 nan 0.000 0.444 210 V N -0.187 119.797 119.914 0.117 0.000 2.332 210 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 210 V C 3.048 179.159 176.094 0.028 0.000 1.055 210 V CA 2.031 64.379 62.300 0.080 0.000 1.038 210 V CB -1.261 30.595 31.823 0.056 0.000 0.651 210 V HN 0.639 nan 8.190 nan 0.000 0.450 211 A N -0.390 122.449 122.820 0.030 0.000 1.972 211 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 211 A C 1.848 179.395 177.584 -0.061 0.000 1.169 211 A CA 1.858 53.903 52.037 0.013 0.000 0.635 211 A CB -0.503 18.516 19.000 0.031 0.000 0.810 211 A HN 0.547 nan 8.150 nan 0.000 0.446 212 D N -1.425 118.924 120.400 -0.085 0.000 2.363 212 D HA 0.224 4.864 4.640 -0.000 0.000 0.226 212 D C 1.427 177.241 176.300 -0.810 0.000 1.020 212 D CA 1.192 55.037 54.000 -0.258 0.000 0.892 212 D CB 0.145 40.938 40.800 -0.012 0.000 0.900 212 D HN 0.618 nan 8.370 nan 0.000 0.531 213 G N 0.186 108.564 108.800 -0.705 0.000 2.195 213 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.224 213 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.224 213 G C 0.191 174.847 174.900 -0.405 0.000 0.990 213 G CA -0.564 44.048 45.100 -0.814 0.000 0.639 213 G HN 0.253 nan 8.290 nan 0.000 0.514 214 F N 1.596 121.450 119.950 -0.159 0.000 2.543 214 F HA 0.432 4.959 4.527 -0.000 0.000 0.375 214 F C 1.803 177.608 175.800 0.010 0.000 1.075 214 F CA -0.275 57.702 58.000 -0.038 0.000 1.225 214 F CB 0.746 39.750 39.000 0.006 0.000 1.099 214 F HN -0.129 nan 8.300 nan 0.000 0.561 215 R N 1.212 121.839 120.500 0.212 0.000 2.317 215 R HA 0.177 4.517 4.340 -0.000 0.000 0.208 215 R C -0.234 176.174 176.300 0.181 0.000 0.914 215 R CA 0.242 56.435 56.100 0.156 0.000 1.060 215 R CB -0.047 30.324 30.300 0.117 0.000 1.015 215 R HN 0.527 nan 8.270 nan 0.000 0.498 216 T N 0.496 115.201 114.554 0.250 0.000 2.956 216 T HA 0.520 4.870 4.350 -0.000 0.000 0.312 216 T C -0.771 174.032 174.700 0.172 0.000 1.151 216 T CA -0.471 61.741 62.100 0.187 0.000 1.024 216 T CB 2.435 71.448 68.868 0.241 0.000 1.140 216 T HN 0.014 nan 8.240 nan 0.000 0.473 217 I N 1.374 121.953 120.570 0.015 0.000 2.969 217 I HA 0.754 4.924 4.170 -0.000 0.000 0.307 217 I C -1.721 174.298 176.117 -0.165 0.000 1.149 217 I CA -1.006 60.283 61.300 -0.019 0.000 1.008 217 I CB 2.269 40.244 38.000 -0.042 0.000 1.232 217 I HN 0.530 nan 8.210 nan 0.000 0.435 218 K N 6.596 126.912 120.400 -0.141 0.000 2.482 218 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 218 K C -2.024 174.425 176.600 -0.251 0.000 0.936 218 K CA -0.647 55.480 56.287 -0.267 0.000 0.791 218 K CB 1.887 34.262 32.500 -0.209 0.000 1.213 218 K HN 0.591 nan 8.250 nan 0.000 0.428 219 L N 3.086 124.159 121.223 -0.250 0.000 2.330 219 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 219 L C -0.118 176.629 176.870 -0.205 0.000 1.013 219 L CA -1.359 53.353 54.840 -0.212 0.000 0.816 219 L CB 1.529 43.503 42.059 -0.141 0.000 1.287 219 L HN 0.428 nan 8.230 nan 0.000 0.435 220 K N 2.044 122.329 120.400 -0.193 0.000 2.174 220 K HA 0.625 4.945 4.320 -0.000 0.000 0.275 220 K C -0.277 176.277 176.600 -0.077 0.000 1.015 220 K CA -0.267 55.930 56.287 -0.150 0.000 0.933 220 K CB 2.192 34.619 32.500 -0.122 0.000 1.025 220 K HN 0.530 nan 8.250 nan 0.000 0.463 221 V N -3.011 116.857 119.914 -0.076 0.000 3.080 221 V HA 0.849 4.969 4.120 -0.000 0.000 0.311 221 V C 0.598 176.639 176.094 -0.089 0.000 1.389 221 V CA -0.039 62.278 62.300 0.027 0.000 1.049 221 V CB 1.293 33.203 31.823 0.145 0.000 1.078 221 V HN 0.810 nan 8.190 nan 0.000 0.468 222 G N -1.113 107.706 108.800 0.031 0.000 2.201 222 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.212 222 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.212 222 G C 0.784 175.681 174.900 -0.004 0.000 0.994 222 G CA 1.030 45.943 45.100 -0.312 0.000 0.644 222 G HN 1.966 nan 8.290 nan 0.000 0.508 223 A N -0.472 122.484 122.820 0.228 0.000 1.942 223 A HA 0.520 4.840 4.320 -0.000 0.000 0.209 223 A C 0.927 178.764 177.584 0.421 0.000 1.214 223 A CA 1.586 53.775 52.037 0.253 0.000 0.686 223 A CB 0.152 19.236 19.000 0.141 0.000 0.871 223 A HN 0.745 nan 8.150 nan 0.000 0.460 224 N N -0.213 118.765 118.700 0.464 0.000 2.425 224 N HA 0.260 5.000 4.740 -0.000 0.000 0.289 224 N C 0.671 176.286 175.510 0.175 0.000 1.074 224 N CA 0.135 53.356 53.050 0.285 0.000 0.905 224 N CB 2.175 40.746 38.487 0.141 0.000 1.586 224 N HN -0.079 nan 8.380 nan 0.000 0.490 225 V N 2.973 122.695 119.914 -0.319 0.000 2.255 225 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 225 V C 2.207 178.171 176.094 -0.216 0.000 1.051 225 V CA 1.536 63.454 62.300 -0.636 0.000 1.018 225 V CB -0.776 30.471 31.823 -0.960 0.000 0.641 225 V HN 0.599 nan 8.190 nan 0.000 0.445 226 Q N 0.658 120.368 119.800 -0.151 0.000 2.062 226 Q HA -0.229 4.111 4.340 -0.000 0.000 0.209 226 Q C 2.040 178.031 176.000 -0.015 0.000 0.996 226 Q CA 2.346 58.108 55.803 -0.069 0.000 0.859 226 Q CB -0.905 27.804 28.738 -0.048 0.000 0.920 226 Q HN 0.703 nan 8.270 nan 0.000 0.415 227 D N 0.138 120.549 120.400 0.019 0.000 2.104 227 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 227 D C 1.408 177.740 176.300 0.054 0.000 0.994 227 D CA 1.368 55.395 54.000 0.044 0.000 0.830 227 D CB -0.337 40.510 40.800 0.078 0.000 0.959 227 D HN 0.257 nan 8.370 nan 0.000 0.452 228 D N 0.197 120.668 120.400 0.118 0.000 2.123 228 D HA -0.104 4.536 4.640 -0.000 0.000 0.196 228 D C 2.323 178.671 176.300 0.081 0.000 0.992 228 D CA 0.427 54.523 54.000 0.161 0.000 0.833 228 D CB -0.331 40.699 40.800 0.384 0.000 0.954 228 D HN 0.282 nan 8.370 nan 0.000 0.455 229 I N 0.481 121.092 120.570 0.069 0.000 2.179 229 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 229 I C 2.642 178.692 176.117 -0.113 0.000 1.088 229 I CA 1.014 62.373 61.300 0.097 0.000 1.357 229 I CB -0.192 37.875 38.000 0.113 0.000 1.051 229 I HN -0.052 nan 8.210 nan 0.000 0.409 230 R N 1.223 121.678 120.500 -0.076 0.000 2.070 230 R HA -0.166 4.174 4.340 -0.000 0.000 0.233 230 R C 2.497 178.695 176.300 -0.171 0.000 1.137 230 R CA 1.552 57.584 56.100 -0.112 0.000 0.945 230 R CB -0.154 30.118 30.300 -0.047 0.000 0.845 230 R HN 0.194 nan 8.270 nan 0.000 0.430 231 R N -0.455 119.976 120.500 -0.114 0.000 2.096 231 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 231 R C 2.481 178.666 176.300 -0.192 0.000 1.127 231 R CA 1.725 57.762 56.100 -0.106 0.000 0.968 231 R CB -0.433 29.844 30.300 -0.038 0.000 0.861 231 R HN 0.335 nan 8.270 nan 0.000 0.440 232 C N -0.200 118.931 119.300 -0.281 0.000 2.440 232 C HA -0.028 4.432 4.460 -0.000 0.000 0.278 232 C C 2.664 177.218 174.990 -0.726 0.000 1.295 232 C CA 0.409 59.192 59.018 -0.392 0.000 1.738 232 C CB -0.782 26.799 27.740 -0.266 0.000 1.987 232 C HN 0.493 nan 8.230 nan 0.000 0.492 233 R N 0.920 120.753 120.500 -1.111 0.000 2.070 233 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 233 R C 2.112 178.198 176.300 -0.355 0.000 1.138 233 R CA 1.663 57.187 56.100 -0.960 0.000 0.936 233 R CB -0.469 29.443 30.300 -0.647 0.000 0.839 233 R HN 0.447 nan 8.270 nan 0.000 0.429 234 L N 0.559 121.632 121.223 -0.250 0.000 2.012 234 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 234 L C 2.843 179.651 176.870 -0.102 0.000 1.073 234 L CA 1.523 56.286 54.840 -0.128 0.000 0.748 234 L CB -0.802 41.202 42.059 -0.092 0.000 0.891 234 L HN 0.421 nan 8.230 nan 0.000 0.431 235 A N 0.284 123.030 122.820 -0.123 0.000 1.908 235 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 235 A C 2.342 179.891 177.584 -0.059 0.000 1.181 235 A CA 2.003 53.991 52.037 -0.082 0.000 0.627 235 A CB -0.536 18.408 19.000 -0.092 0.000 0.818 235 A HN 0.322 nan 8.150 nan 0.000 0.445 236 R N 0.290 120.748 120.500 -0.070 0.000 2.120 236 R HA -0.019 4.321 4.340 -0.000 0.000 0.234 236 R C 1.974 178.278 176.300 0.007 0.000 1.123 236 R CA 1.972 58.069 56.100 -0.006 0.000 0.975 236 R CB -0.870 29.464 30.300 0.056 0.000 0.866 236 R HN 0.406 nan 8.270 nan 0.000 0.446 237 A N 0.078 122.893 122.820 -0.009 0.000 1.855 237 A HA 0.176 4.496 4.320 -0.000 0.000 0.213 237 A C 2.351 179.936 177.584 0.001 0.000 1.195 237 A CA 1.224 53.263 52.037 0.003 0.000 0.610 237 A CB -1.058 17.940 19.000 -0.003 0.000 0.837 237 A HN 0.420 nan 8.150 nan 0.000 0.444 238 A N -0.797 122.018 122.820 -0.009 0.000 2.024 238 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 238 A C 1.944 179.532 177.584 0.006 0.000 1.164 238 A CA 1.861 53.897 52.037 -0.002 0.000 0.643 238 A CB -0.428 18.567 19.000 -0.008 0.000 0.806 238 A HN 0.416 nan 8.150 nan 0.000 0.451 239 I N -2.215 118.358 120.570 0.005 0.000 2.628 239 I HA 0.314 4.484 4.170 -0.000 0.000 0.255 239 I C 1.258 177.388 176.117 0.021 0.000 1.119 239 I CA 1.266 62.574 61.300 0.014 0.000 1.448 239 I CB -0.139 37.866 38.000 0.008 0.000 1.133 239 I HN 0.543 nan 8.210 nan 0.000 0.438 240 G N 0.638 109.451 108.800 0.021 0.000 2.619 240 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 240 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 240 G C -2.209 172.709 174.900 0.030 0.000 1.256 240 G CA -0.222 44.894 45.100 0.026 0.000 0.826 240 G HN 0.033 nan 8.290 nan 0.000 0.619 241 P HA 0.084 nan 4.420 nan 0.000 0.229 241 P C 0.551 177.872 177.300 0.035 0.000 1.160 241 P CA 1.288 64.409 63.100 0.035 0.000 0.777 241 P CB 0.228 31.947 31.700 0.032 0.000 0.814 242 D N -0.603 119.818 120.400 0.034 0.000 2.349 242 D HA 0.072 4.712 4.640 -0.000 0.000 0.215 242 D C 0.928 177.255 176.300 0.045 0.000 1.016 242 D CA 0.399 54.422 54.000 0.038 0.000 0.870 242 D CB 0.137 40.958 40.800 0.035 0.000 0.917 242 D HN 0.170 nan 8.370 nan 0.000 0.524 243 I N 0.990 121.585 120.570 0.043 0.000 2.577 243 I HA 0.396 4.566 4.170 -0.000 0.000 0.300 243 I C 0.913 177.054 176.117 0.040 0.000 0.990 243 I CA -1.123 60.206 61.300 0.049 0.000 1.283 243 I CB 1.073 39.100 38.000 0.045 0.000 1.411 243 I HN -0.192 nan 8.210 nan 0.000 0.515 247 V N 1.066 120.650 119.914 -0.550 0.000 2.864 247 V HA 0.777 4.897 4.120 -0.000 0.000 0.314 247 V C -1.251 174.698 176.094 -0.243 0.000 1.073 247 V CA -0.345 61.787 62.300 -0.281 0.000 0.956 247 V CB 2.116 33.881 31.823 -0.097 0.000 1.023 247 V HN 0.933 nan 8.190 nan 0.000 0.435 248 D N 1.949 122.242 120.400 -0.178 0.000 2.602 248 D HA 0.522 5.162 4.640 -0.000 0.000 0.245 248 D C 0.232 176.385 176.300 -0.246 0.000 1.325 248 D CA -0.119 53.786 54.000 -0.157 0.000 0.952 248 D CB 2.138 42.866 40.800 -0.121 0.000 1.317 248 D HN 0.561 nan 8.370 nan 0.000 0.577 249 A N 3.602 126.183 122.820 -0.398 0.000 2.218 249 A HA 0.093 4.413 4.320 -0.000 0.000 0.209 249 A C 0.887 178.125 177.584 -0.577 0.000 1.168 249 A CA -0.003 51.590 52.037 -0.740 0.000 0.804 249 A CB -0.292 17.726 19.000 -1.637 0.000 0.834 249 A HN 0.730 nan 8.150 nan 0.000 0.482 250 N N -0.044 118.443 118.700 -0.356 0.000 2.727 250 N HA -0.252 4.488 4.740 -0.000 0.000 0.249 250 N C -0.279 175.053 175.510 -0.296 0.000 1.048 250 N CA 1.236 54.120 53.050 -0.277 0.000 0.714 250 N CB -1.420 36.944 38.487 -0.205 0.000 0.959 250 N HN 0.787 nan 8.380 nan 0.000 0.544 251 Q N -3.250 116.363 119.800 -0.311 0.000 2.460 251 Q HA -0.270 4.070 4.340 -0.000 0.000 0.248 251 Q C 0.954 176.780 176.000 -0.289 0.000 0.847 251 Q CA 1.225 56.883 55.803 -0.241 0.000 1.214 251 Q CB -0.622 28.027 28.738 -0.148 0.000 1.523 251 Q HN 0.398 nan 8.270 nan 0.000 0.602 252 R N -0.237 119.965 120.500 -0.496 0.000 2.090 252 R HA -0.027 4.313 4.340 -0.000 0.000 0.228 252 R C 0.767 176.886 176.300 -0.302 0.000 1.110 252 R CA 1.031 56.851 56.100 -0.468 0.000 0.973 252 R CB -0.028 29.882 30.300 -0.650 0.000 0.869 252 R HN 0.299 nan 8.270 nan 0.000 0.440 253 W N 1.508 122.685 121.300 -0.205 0.000 2.253 253 W HA 0.246 4.906 4.660 -0.000 0.000 0.348 253 W C 0.238 176.686 176.519 -0.117 0.000 1.229 253 W CA -1.168 56.075 57.345 -0.170 0.000 1.335 253 W CB -0.063 29.263 29.460 -0.223 0.000 1.165 253 W HN -0.113 nan 8.180 nan 0.000 0.631 254 D N -0.760 119.748 120.400 0.180 0.000 2.432 254 D HA 0.208 4.848 4.640 -0.000 0.000 0.258 254 D C 1.287 177.622 176.300 0.058 0.000 1.146 254 D CA -0.527 53.519 54.000 0.076 0.000 1.015 254 D CB 1.551 42.386 40.800 0.058 0.000 1.107 254 D HN -0.092 nan 8.370 nan 0.000 0.529 255 V N 0.727 120.648 119.914 0.013 0.000 2.255 255 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 255 V C 2.209 178.297 176.094 -0.011 0.000 1.051 255 V CA 2.488 64.783 62.300 -0.008 0.000 1.018 255 V CB -0.880 30.933 31.823 -0.017 0.000 0.641 255 V HN 0.738 nan 8.190 nan 0.000 0.445 256 G N 0.297 109.093 108.800 -0.006 0.000 2.453 256 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 256 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 256 G C -0.185 174.695 174.900 -0.033 0.000 1.201 256 G CA 1.166 46.257 45.100 -0.016 0.000 0.784 256 G HN 0.505 nan 8.290 nan 0.000 0.545 257 P HA -0.056 nan 4.420 nan 0.000 0.216 257 P C 2.188 179.358 177.300 -0.217 0.000 1.150 257 P CA 1.943 65.015 63.100 -0.047 0.000 0.837 257 P CB -0.138 31.585 31.700 0.039 0.000 0.786 258 A N -0.837 121.858 122.820 -0.210 0.000 1.902 258 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 258 A C 2.183 179.593 177.584 -0.290 0.000 1.181 258 A CA 1.488 53.300 52.037 -0.375 0.000 0.623 258 A CB -1.574 17.460 19.000 0.057 0.000 0.818 258 A HN 0.123 nan 8.150 nan 0.000 0.443 259 I N -0.294 120.196 120.570 -0.135 0.000 2.202 259 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 259 I C 1.912 177.974 176.117 -0.091 0.000 1.091 259 I CA 1.453 62.702 61.300 -0.086 0.000 1.368 259 I CB -0.481 37.489 38.000 -0.049 0.000 1.058 259 I HN 0.228 nan 8.210 nan 0.000 0.410 260 D N 0.054 120.399 120.400 -0.092 0.000 2.123 260 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 260 D C 0.879 177.125 176.300 -0.089 0.000 0.992 260 D CA 0.716 54.666 54.000 -0.083 0.000 0.833 260 D CB -0.200 40.555 40.800 -0.076 0.000 0.954 260 D HN 0.251 nan 8.370 nan 0.000 0.455 264 Q N 0.667 120.430 119.800 -0.063 0.000 2.424 264 Q HA 0.218 4.558 4.340 -0.000 0.000 0.204 264 Q C 1.557 177.526 176.000 -0.052 0.000 0.933 264 Q CA 0.715 56.468 55.803 -0.085 0.000 0.929 264 Q CB 0.518 29.185 28.738 -0.118 0.000 1.037 264 Q HN 0.268 nan 8.270 nan 0.000 0.511 265 L N -0.811 120.426 121.223 0.024 0.000 2.590 265 L HA 0.243 4.583 4.340 -0.000 0.000 0.227 265 L C 2.166 179.030 176.870 -0.010 0.000 1.099 265 L CA 0.095 55.013 54.840 0.129 0.000 0.872 265 L CB -0.176 42.038 42.059 0.257 0.000 1.088 265 L HN 0.105 nan 8.230 nan 0.000 0.479 266 A N 1.724 124.499 122.820 -0.074 0.000 1.948 266 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 266 A C 2.178 179.665 177.584 -0.162 0.000 1.177 266 A CA 2.188 54.175 52.037 -0.083 0.000 0.636 266 A CB -0.495 18.462 19.000 -0.071 0.000 0.815 266 A HN 0.659 nan 8.150 nan 0.000 0.449 267 E N -0.981 119.006 120.200 -0.354 0.000 2.267 267 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 267 E C 1.116 177.500 176.600 -0.359 0.000 0.998 267 E CA 1.150 57.299 56.400 -0.419 0.000 0.830 267 E CB -0.548 28.795 29.700 -0.596 0.000 0.751 267 E HN 0.712 nan 8.360 nan 0.000 0.491 268 F N 1.512 121.458 119.950 -0.006 0.000 2.731 268 F HA 0.124 4.651 4.527 -0.000 0.000 0.304 268 F C -0.004 175.787 175.800 -0.015 0.000 1.133 268 F CA -0.085 57.910 58.000 -0.009 0.000 1.380 268 F CB -0.021 38.973 39.000 -0.009 0.000 1.079 268 F HN -0.124 nan 8.300 nan 0.000 0.550 269 D N 2.015 122.465 120.400 0.083 0.000 3.620 269 D HA -0.185 4.455 4.640 -0.000 0.000 0.237 269 D C -0.665 175.660 176.300 0.042 0.000 1.111 269 D CA 0.189 54.219 54.000 0.050 0.000 1.070 269 D CB -0.546 40.284 40.800 0.050 0.000 0.891 269 D HN -0.019 nan 8.370 nan 0.000 0.412 270 I N 2.257 122.844 120.570 0.028 0.000 2.352 270 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 270 I C 1.953 178.058 176.117 -0.021 0.000 1.036 270 I CA -0.071 61.222 61.300 -0.010 0.000 1.336 270 I CB 0.465 38.472 38.000 0.012 0.000 1.407 270 I HN 0.432 nan 8.210 nan 0.000 0.497 271 A N 7.242 130.003 122.820 -0.097 0.000 1.930 271 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 271 A C 0.372 178.050 177.584 0.158 0.000 1.175 271 A CA 1.074 53.103 52.037 -0.014 0.000 0.627 271 A CB -0.089 18.833 19.000 -0.130 0.000 0.815 271 A HN 0.865 nan 8.150 nan 0.000 0.443 272 W N -3.854 117.372 121.300 -0.124 0.000 3.370 272 W HA 0.488 5.148 4.660 0.000 0.000 0.304 272 W C -1.976 174.497 176.519 -0.076 0.000 1.161 272 W CA -1.615 55.661 57.345 -0.116 0.000 1.132 272 W CB -0.213 29.120 29.460 -0.211 0.000 1.377 272 W HN 0.157 nan 8.180 nan 0.000 0.568 273 I N 2.880 123.584 120.570 0.223 0.000 2.330 273 I HA 0.440 4.610 4.170 -0.000 0.000 0.289 273 I C -0.203 176.089 176.117 0.293 0.000 1.001 273 I CA -0.791 60.599 61.300 0.151 0.000 1.193 273 I CB 1.174 39.280 38.000 0.178 0.000 1.345 273 I HN 0.563 nan 8.210 nan 0.000 0.461 274 E N 6.402 126.744 120.200 0.237 0.000 2.283 274 E HA 0.187 4.537 4.350 -0.000 0.000 0.278 274 E C -0.473 176.170 176.600 0.072 0.000 1.027 274 E CA -0.242 56.303 56.400 0.242 0.000 0.843 274 E CB 0.529 30.398 29.700 0.281 0.000 1.062 274 E HN 0.642 nan 8.360 nan 0.000 0.401 275 E N 3.230 123.489 120.200 0.099 0.000 2.160 275 E HA -0.181 4.169 4.350 -0.000 0.000 0.180 275 E C -1.834 174.744 176.600 -0.038 0.000 1.452 275 E CA 0.091 56.544 56.400 0.087 0.000 0.683 275 E CB -0.476 29.191 29.700 -0.055 0.000 1.072 275 E HN 0.557 nan 8.360 nan 0.000 0.332 276 P HA -0.135 nan 4.420 nan 0.000 0.223 276 P C 0.744 177.973 177.300 -0.120 0.000 1.151 276 P CA 1.210 64.291 63.100 -0.032 0.000 0.787 276 P CB 0.501 32.308 31.700 0.177 0.000 0.788 277 T N -1.991 112.428 114.554 -0.225 0.000 2.618 277 T HA 0.328 4.678 4.350 -0.000 0.000 0.286 277 T C -0.845 173.821 174.700 -0.057 0.000 1.027 277 T CA -0.482 61.510 62.100 -0.179 0.000 1.063 277 T CB 0.997 69.725 68.868 -0.232 0.000 1.440 277 T HN -0.169 nan 8.240 nan 0.000 0.505 278 S N 1.886 117.571 115.700 -0.025 0.000 2.561 278 S HA 0.109 4.579 4.470 -0.000 0.000 0.294 278 S C -1.414 173.261 174.600 0.124 0.000 1.294 278 S CA -0.568 57.648 58.200 0.027 0.000 1.055 278 S CB 0.534 63.740 63.200 0.009 0.000 0.819 278 S HN 0.532 nan 8.310 nan 0.000 0.503 279 P HA 0.079 nan 4.420 nan 0.000 0.242 279 P C -0.046 177.227 177.300 -0.045 0.000 1.197 279 P CA 0.511 63.618 63.100 0.011 0.000 0.765 279 P CB 0.119 31.829 31.700 0.017 0.000 0.936 280 D N -0.926 119.466 120.400 -0.013 0.000 2.389 280 D HA 0.005 4.645 4.640 -0.000 0.000 0.206 280 D C 0.289 176.581 176.300 -0.014 0.000 1.055 280 D CA 0.447 54.422 54.000 -0.042 0.000 0.856 280 D CB -0.068 40.708 40.800 -0.041 0.000 0.957 280 D HN 0.073 nan 8.370 nan 0.000 0.509 281 D N 1.330 121.763 120.400 0.054 0.000 2.522 281 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 281 D C 1.438 177.824 176.300 0.142 0.000 1.149 281 D CA -0.179 53.867 54.000 0.077 0.000 0.981 281 D CB 0.885 41.719 40.800 0.056 0.000 1.041 281 D HN -0.213 nan 8.370 nan 0.000 0.518 282 V N 3.569 123.507 119.914 0.040 0.000 2.295 282 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 282 V C 2.536 178.660 176.094 0.050 0.000 1.049 282 V CA 1.281 63.591 62.300 0.018 0.000 1.024 282 V CB -0.362 31.438 31.823 -0.040 0.000 0.648 282 V HN 0.573 nan 8.190 nan 0.000 0.447 283 L N 0.365 121.605 121.223 0.029 0.000 2.083 283 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 283 L C 2.671 179.560 176.870 0.033 0.000 1.083 283 L CA 1.682 56.537 54.840 0.025 0.000 0.752 283 L CB -1.369 40.696 42.059 0.010 0.000 0.899 283 L HN 0.480 nan 8.230 nan 0.000 0.433 284 G N -0.958 107.861 108.800 0.033 0.000 2.421 284 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 284 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 284 G C 1.412 176.294 174.900 -0.029 0.000 1.171 284 G CA 0.496 45.591 45.100 -0.008 0.000 0.775 284 G HN 0.388 nan 8.290 nan 0.000 0.543 285 H N 0.631 119.699 119.070 -0.004 0.000 2.387 285 H HA -0.015 4.541 4.556 0.000 0.000 0.299 285 H C 2.938 178.271 175.328 0.008 0.000 1.090 285 H CA 1.169 57.220 56.048 0.004 0.000 1.332 285 H CB -0.057 29.697 29.762 -0.014 0.000 1.386 285 H HN 0.413 nan 8.280 nan 0.000 0.516 286 A N 1.083 123.971 122.820 0.113 0.000 1.898 286 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 286 A C 2.683 180.292 177.584 0.042 0.000 1.181 286 A CA 1.401 53.477 52.037 0.066 0.000 0.620 286 A CB -0.648 18.379 19.000 0.045 0.000 0.819 286 A HN 0.421 nan 8.150 nan 0.000 0.442 287 A N 0.004 122.840 122.820 0.027 0.000 1.898 287 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 287 A C 2.113 179.702 177.584 0.008 0.000 1.181 287 A CA 1.451 53.496 52.037 0.013 0.000 0.620 287 A CB -0.586 18.416 19.000 0.003 0.000 0.819 287 A HN 0.489 nan 8.150 nan 0.000 0.442 288 I N -1.014 119.556 120.570 0.001 0.000 2.179 288 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 288 I C 2.725 178.856 176.117 0.023 0.000 1.088 288 I CA 1.700 63.000 61.300 -0.000 0.000 1.357 288 I CB -0.369 37.618 38.000 -0.021 0.000 1.051 288 I HN 0.376 nan 8.210 nan 0.000 0.409 289 R N 0.966 121.492 120.500 0.044 0.000 2.091 289 R HA -0.251 4.089 4.340 -0.000 0.000 0.238 289 R C 2.288 178.610 176.300 0.037 0.000 1.136 289 R CA 1.908 58.040 56.100 0.053 0.000 0.959 289 R CB -0.169 30.170 30.300 0.065 0.000 0.856 289 R HN 0.428 nan 8.270 nan 0.000 0.437 290 Q N -1.211 118.607 119.800 0.029 0.000 2.119 290 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 290 Q C 1.995 178.003 176.000 0.013 0.000 0.972 290 Q CA 1.479 57.295 55.803 0.022 0.000 0.847 290 Q CB -0.073 28.677 28.738 0.019 0.000 0.903 290 Q HN 0.552 nan 8.270 nan 0.000 0.433 291 G N 1.029 109.834 108.800 0.008 0.000 2.464 291 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 291 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 291 G C 1.291 176.190 174.900 -0.003 0.000 1.138 291 G CA 0.515 45.615 45.100 -0.001 0.000 0.793 291 G HN 0.493 nan 8.290 nan 0.000 0.539 292 I N -1.370 119.204 120.570 0.006 0.000 3.927 292 I HA 0.330 4.500 4.170 -0.000 0.000 0.332 292 I C 0.637 176.762 176.117 0.015 0.000 1.485 292 I CA -0.464 60.839 61.300 0.006 0.000 1.131 292 I CB 0.154 38.162 38.000 0.013 0.000 1.092 292 I HN -0.131 nan 8.210 nan 0.000 0.410 293 T N 3.820 118.384 114.554 0.016 0.000 2.946 293 T HA 0.128 4.478 4.350 -0.000 0.000 0.312 293 T C -0.885 173.822 174.700 0.012 0.000 1.066 293 T CA -0.517 61.595 62.100 0.020 0.000 1.138 293 T CB 0.522 69.402 68.868 0.020 0.000 1.014 293 T HN 0.381 nan 8.240 nan 0.000 0.544 294 P HA 0.194 nan 4.420 nan 0.000 0.256 294 P C -0.295 177.027 177.300 0.037 0.000 1.384 294 P CA -0.231 62.885 63.100 0.026 0.000 0.879 294 P CB -0.053 31.661 31.700 0.023 0.000 1.403 295 V N 3.032 122.968 119.914 0.037 0.000 2.450 295 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 295 V C -1.974 174.166 176.094 0.076 0.000 1.019 295 V CA -1.133 61.199 62.300 0.053 0.000 1.062 295 V CB -0.055 31.798 31.823 0.050 0.000 0.979 295 V HN 0.113 nan 8.190 nan 0.000 0.477 296 P HA 0.181 nan 4.420 nan 0.000 0.268 296 P C -0.635 176.754 177.300 0.149 0.000 1.205 296 P CA 0.093 63.261 63.100 0.114 0.000 0.771 296 P CB 0.662 32.441 31.700 0.132 0.000 0.858 297 V N 2.327 122.312 119.914 0.118 0.000 2.680 297 V HA 0.672 4.792 4.120 -0.000 0.000 0.309 297 V C 0.143 176.286 176.094 0.081 0.000 1.052 297 V CA -0.226 62.160 62.300 0.142 0.000 0.908 297 V CB 1.859 33.768 31.823 0.145 0.000 1.001 297 V HN 0.755 nan 8.190 nan 0.000 0.431 298 S N 2.669 118.428 115.700 0.099 0.000 2.651 298 S HA 0.915 5.385 4.470 -0.000 0.000 0.279 298 S C -0.780 173.822 174.600 0.003 0.000 1.148 298 S CA -0.206 57.975 58.200 -0.031 0.000 0.837 298 S CB 2.492 65.529 63.200 -0.272 0.000 1.138 298 S HN 1.069 nan 8.310 nan 0.000 0.478 299 T N -1.326 113.181 114.554 -0.079 0.000 2.722 299 T HA 0.644 4.994 4.350 -0.000 0.000 0.314 299 T C 0.287 174.942 174.700 -0.076 0.000 1.675 299 T CA 0.484 62.507 62.100 -0.127 0.000 1.003 299 T CB 0.612 69.227 68.868 -0.421 0.000 1.602 299 T HN 2.212 nan 8.240 nan 0.000 0.496 300 G N 1.173 109.925 108.800 -0.081 0.000 3.382 300 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 300 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 300 G C 0.784 175.741 174.900 0.096 0.000 1.025 300 G CA 0.985 46.116 45.100 0.053 0.000 0.869 300 G HN 0.940 nan 8.290 nan 0.000 0.458 301 E N 0.070 120.268 120.200 -0.003 0.000 2.265 301 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 301 E C 1.538 178.205 176.600 0.113 0.000 0.996 301 E CA 1.368 57.718 56.400 -0.085 0.000 0.832 301 E CB -0.191 29.176 29.700 -0.556 0.000 0.756 301 E HN 0.487 nan 8.360 nan 0.000 0.491 302 H N 0.082 119.075 119.070 -0.129 0.000 2.755 302 H HA 0.232 4.788 4.556 -0.000 0.000 0.273 302 H C -0.313 174.937 175.328 -0.129 0.000 1.055 302 H CA -0.149 55.834 56.048 -0.108 0.000 1.191 302 H CB 0.670 30.368 29.762 -0.106 0.000 1.536 302 H HN -0.022 nan 8.280 nan 0.000 0.529 303 T N 1.927 116.420 114.554 -0.101 0.000 2.792 303 T HA -0.062 4.288 4.350 -0.000 0.000 0.286 303 T C 1.320 175.932 174.700 -0.146 0.000 0.970 303 T CA 0.175 62.083 62.100 -0.320 0.000 1.187 303 T CB 0.800 69.082 68.868 -0.977 0.000 0.915 303 T HN 0.427 nan 8.240 nan 0.000 0.529 304 Q N 2.767 122.496 119.800 -0.119 0.000 2.062 304 Q HA -0.178 4.162 4.340 -0.000 0.000 0.209 304 Q C 0.773 176.823 176.000 0.082 0.000 0.996 304 Q CA 1.791 57.579 55.803 -0.025 0.000 0.859 304 Q CB -0.067 28.631 28.738 -0.068 0.000 0.920 304 Q HN 0.902 nan 8.270 nan 0.000 0.415 305 N N -2.952 115.787 118.700 0.064 0.000 3.106 305 N HA 0.097 4.837 4.740 -0.000 0.000 0.253 305 N C -0.215 175.446 175.510 0.251 0.000 1.506 305 N CA -0.714 52.441 53.050 0.174 0.000 0.876 305 N CB 0.299 38.832 38.487 0.077 0.000 1.452 305 N HN -0.035 nan 8.380 nan 0.000 0.542 306 R N -0.566 120.084 120.500 0.251 0.000 2.200 306 R HA -0.022 4.318 4.340 -0.000 0.000 0.234 306 R C 0.310 176.720 176.300 0.185 0.000 1.127 306 R CA 1.517 57.764 56.100 0.245 0.000 0.989 306 R CB -0.847 29.525 30.300 0.120 0.000 0.869 306 R HN 0.335 nan 8.270 nan 0.000 0.459 307 V N 1.085 121.067 119.914 0.114 0.000 2.548 307 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 307 V C 2.424 178.518 176.094 -0.001 0.000 1.055 307 V CA 1.164 63.497 62.300 0.055 0.000 1.065 307 V CB 0.083 31.903 31.823 -0.006 0.000 0.681 307 V HN 0.156 nan 8.190 nan 0.000 0.462 308 V N -0.879 119.009 119.914 -0.044 0.000 2.453 308 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 308 V C 2.159 178.163 176.094 -0.150 0.000 1.048 308 V CA 1.770 63.987 62.300 -0.138 0.000 1.049 308 V CB -0.718 30.970 31.823 -0.225 0.000 0.672 308 V HN 0.418 nan 8.190 nan 0.000 0.457 309 F N 0.801 120.703 119.950 -0.079 0.000 2.095 309 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 309 F C 2.544 178.255 175.800 -0.148 0.000 1.104 309 F CA 2.246 60.184 58.000 -0.103 0.000 1.232 309 F CB -0.287 38.669 39.000 -0.073 0.000 0.987 309 F HN 0.023 nan 8.300 nan 0.000 0.475 310 K N 0.448 120.896 120.400 0.079 0.000 2.044 310 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 310 K C 1.985 178.507 176.600 -0.130 0.000 1.049 310 K CA 2.031 58.294 56.287 -0.040 0.000 0.927 310 K CB -0.285 32.241 32.500 0.042 0.000 0.713 310 K HN 0.359 nan 8.250 nan 0.000 0.443 311 Q N 0.002 119.755 119.800 -0.079 0.000 2.124 311 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 311 Q C 2.130 178.061 176.000 -0.115 0.000 0.977 311 Q CA 0.963 56.715 55.803 -0.086 0.000 0.850 311 Q CB -0.017 28.680 28.738 -0.069 0.000 0.901 311 Q HN 0.209 nan 8.270 nan 0.000 0.429 312 L N 0.179 121.324 121.223 -0.130 0.000 2.012 312 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 312 L C 2.087 178.867 176.870 -0.151 0.000 1.073 312 L CA 1.586 56.349 54.840 -0.129 0.000 0.748 312 L CB -1.014 40.963 42.059 -0.137 0.000 0.891 312 L HN 0.265 nan 8.230 nan 0.000 0.431 313 L N -0.962 120.099 121.223 -0.270 0.000 2.046 313 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 313 L C 2.615 179.211 176.870 -0.456 0.000 1.077 313 L CA 1.482 56.016 54.840 -0.510 0.000 0.747 313 L CB -1.176 40.217 42.059 -1.111 0.000 0.896 313 L HN 0.395 nan 8.230 nan 0.000 0.432 314 Q N -1.132 118.450 119.800 -0.363 0.000 2.084 314 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 314 Q C 2.004 178.010 176.000 0.009 0.000 0.978 314 Q CA 1.634 57.399 55.803 -0.063 0.000 0.844 314 Q CB -0.216 28.519 28.738 -0.004 0.000 0.898 314 Q HN 0.537 nan 8.270 nan 0.000 0.426 315 A N -0.027 122.777 122.820 -0.027 0.000 2.238 315 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 315 A C 1.298 178.892 177.584 0.016 0.000 1.177 315 A CA 0.622 52.661 52.037 0.004 0.000 0.804 315 A CB -0.319 18.678 19.000 -0.004 0.000 0.823 315 A HN 0.429 nan 8.150 nan 0.000 0.482 316 G N -1.317 107.488 108.800 0.009 0.000 2.295 316 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.287 316 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.287 316 G C 0.739 175.655 174.900 0.027 0.000 1.055 316 G CA 0.418 45.536 45.100 0.031 0.000 0.922 316 G HN 1.423 nan 8.290 nan 0.000 0.503 317 A N -1.371 121.455 122.820 0.010 0.000 2.275 317 A HA 0.625 4.945 4.320 -0.000 0.000 0.212 317 A C 1.164 178.772 177.584 0.040 0.000 1.201 317 A CA 1.427 53.486 52.037 0.036 0.000 0.843 317 A CB 0.210 19.230 19.000 0.032 0.000 0.873 317 A HN 1.990 nan 8.150 nan 0.000 0.492 318 V N -4.432 115.492 119.914 0.016 0.000 2.971 318 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 318 V C -0.518 175.588 176.094 0.020 0.000 1.130 318 V CA -0.583 61.725 62.300 0.012 0.000 0.964 318 V CB 1.714 33.524 31.823 -0.022 0.000 1.029 318 V HN 0.122 nan 8.190 nan 0.000 0.427 319 D N 1.953 122.360 120.400 0.013 0.000 2.338 319 D HA 0.402 5.042 4.640 -0.000 0.000 0.208 319 D C 0.177 176.474 176.300 -0.005 0.000 0.997 319 D CA 1.208 55.220 54.000 0.019 0.000 0.880 319 D CB 0.515 41.332 40.800 0.029 0.000 0.980 319 D HN 0.714 nan 8.370 nan 0.000 0.509 320 L N -2.624 118.559 121.223 -0.067 0.000 2.600 320 L HA 0.633 4.973 4.340 -0.000 0.000 0.257 320 L C -1.520 175.285 176.870 -0.108 0.000 1.048 320 L CA -1.131 53.656 54.840 -0.089 0.000 0.869 320 L CB 1.736 43.654 42.059 -0.236 0.000 1.482 320 L HN -0.285 nan 8.230 nan 0.000 0.408 321 I N 0.249 120.793 120.570 -0.044 0.000 2.769 321 I HA 0.503 4.673 4.170 -0.000 0.000 0.298 321 I C -0.771 175.372 176.117 0.044 0.000 1.128 321 I CA -0.403 60.904 61.300 0.012 0.000 1.031 321 I CB 2.458 40.515 38.000 0.096 0.000 1.235 321 I HN 0.736 nan 8.210 nan 0.000 0.423 322 Q N 3.809 123.665 119.800 0.093 0.000 2.212 322 Q HA 0.682 5.022 4.340 -0.000 0.000 0.238 322 Q C -1.194 174.910 176.000 0.175 0.000 0.955 322 Q CA -0.117 55.771 55.803 0.142 0.000 0.906 322 Q CB 1.908 30.742 28.738 0.159 0.000 1.215 322 Q HN 0.429 nan 8.270 nan 0.000 0.478 323 I N 0.174 120.829 120.570 0.142 0.000 2.802 323 I HA 0.328 4.498 4.170 -0.000 0.000 0.298 323 I C -1.557 174.641 176.117 0.136 0.000 1.176 323 I CA -0.559 60.789 61.300 0.081 0.000 1.025 323 I CB 2.234 40.202 38.000 -0.053 0.000 1.243 323 I HN 0.539 nan 8.210 nan 0.000 0.424 324 D N 4.018 124.500 120.400 0.137 0.000 2.780 324 D HA 0.425 5.065 4.640 -0.000 0.000 0.242 324 D C 0.264 176.621 176.300 0.095 0.000 1.135 324 D CA -0.288 53.804 54.000 0.154 0.000 0.859 324 D CB 2.585 43.492 40.800 0.179 0.000 1.530 324 D HN 0.630 nan 8.370 nan 0.000 0.493 325 A N 2.774 125.639 122.820 0.074 0.000 1.969 325 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 325 A C 1.581 179.175 177.584 0.018 0.000 1.169 325 A CA 1.803 53.864 52.037 0.041 0.000 0.635 325 A CB -0.036 18.966 19.000 0.003 0.000 0.810 325 A HN 0.548 nan 8.150 nan 0.000 0.445 326 A N -1.509 121.336 122.820 0.040 0.000 2.431 326 A HA 0.339 4.659 4.320 -0.000 0.000 0.239 326 A C 1.816 179.416 177.584 0.028 0.000 1.230 326 A CA 0.720 52.776 52.037 0.031 0.000 0.928 326 A CB -0.095 18.945 19.000 0.066 0.000 1.006 326 A HN 0.333 nan 8.150 nan 0.000 0.520 327 R N -0.513 120.017 120.500 0.050 0.000 2.153 327 R HA 0.152 4.492 4.340 -0.000 0.000 0.218 327 R C 0.791 177.104 176.300 0.021 0.000 1.072 327 R CA 1.582 57.700 56.100 0.031 0.000 0.990 327 R CB -0.560 29.778 30.300 0.063 0.000 0.889 327 R HN 0.257 nan 8.270 nan 0.000 0.452 328 V N -1.656 118.270 119.914 0.021 0.000 3.815 328 V HA 0.528 4.648 4.120 -0.000 0.000 0.284 328 V C 0.446 176.402 176.094 -0.230 0.000 1.266 328 V CA -0.398 61.909 62.300 0.011 0.000 0.923 328 V CB 1.293 33.191 31.823 0.125 0.000 1.267 328 V HN 0.248 nan 8.190 nan 0.000 0.461 329 G N 0.038 108.715 108.800 -0.206 0.000 3.574 329 G HA2 0.507 4.467 3.960 -0.000 0.000 0.262 329 G HA3 0.507 4.467 3.960 -0.000 0.000 0.262 329 G C 0.563 175.424 174.900 -0.065 0.000 1.231 329 G CA 0.716 45.634 45.100 -0.303 0.000 1.608 329 G HN 1.692 nan 8.290 nan 0.000 0.628 330 G N -0.742 108.025 108.800 -0.054 0.000 2.750 330 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.228 330 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.228 330 G C 1.026 175.881 174.900 -0.075 0.000 1.367 330 G CA -0.340 44.760 45.100 -0.001 0.000 0.871 330 G HN 0.664 nan 8.290 nan 0.000 0.560 331 V N 0.542 120.315 119.914 -0.236 0.000 2.282 331 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 331 V C 2.800 178.652 176.094 -0.403 0.000 1.057 331 V CA 3.198 65.165 62.300 -0.556 0.000 1.032 331 V CB -1.048 29.834 31.823 -1.568 0.000 0.645 331 V HN 0.734 nan 8.190 nan 0.000 0.447 332 N N 0.241 118.837 118.700 -0.173 0.000 2.037 332 N HA -0.254 4.486 4.740 -0.000 0.000 0.196 332 N C 1.888 177.377 175.510 -0.034 0.000 1.034 332 N CA 1.973 55.044 53.050 0.035 0.000 0.861 332 N CB -0.321 38.291 38.487 0.208 0.000 1.039 332 N HN 0.667 nan 8.380 nan 0.000 0.427 333 E N 0.047 120.237 120.200 -0.016 0.000 2.107 333 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 333 E C 1.265 177.827 176.600 -0.063 0.000 0.982 333 E CA 0.705 57.101 56.400 -0.007 0.000 0.809 333 E CB 0.085 29.826 29.700 0.067 0.000 0.756 333 E HN 0.307 nan 8.360 nan 0.000 0.459 334 N N 0.338 118.980 118.700 -0.097 0.000 2.244 334 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 334 N C 1.867 177.287 175.510 -0.151 0.000 1.016 334 N CA 0.713 53.683 53.050 -0.134 0.000 0.866 334 N CB -0.054 38.362 38.487 -0.118 0.000 0.980 334 N HN 0.248 nan 8.380 nan 0.000 0.430 335 L N 0.697 121.829 121.223 -0.152 0.000 2.046 335 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 335 L C 2.472 179.281 176.870 -0.103 0.000 1.077 335 L CA 1.078 55.843 54.840 -0.124 0.000 0.747 335 L CB -0.490 41.499 42.059 -0.116 0.000 0.896 335 L HN 0.095 nan 8.230 nan 0.000 0.432 336 A N 0.413 123.162 122.820 -0.117 0.000 1.877 336 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 336 A C 2.198 179.727 177.584 -0.092 0.000 1.186 336 A CA 1.631 53.597 52.037 -0.119 0.000 0.620 336 A CB -0.682 18.233 19.000 -0.141 0.000 0.822 336 A HN 0.351 nan 8.150 nan 0.000 0.443 337 I N -0.441 120.041 120.570 -0.146 0.000 2.179 337 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 337 I C 2.386 178.378 176.117 -0.207 0.000 1.088 337 I CA 1.127 62.273 61.300 -0.256 0.000 1.357 337 I CB -0.354 37.325 38.000 -0.535 0.000 1.051 337 I HN 0.281 nan 8.210 nan 0.000 0.409 338 L N 0.082 121.207 121.223 -0.163 0.000 2.079 338 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 338 L C 2.517 179.366 176.870 -0.036 0.000 1.081 338 L CA 1.352 56.132 54.840 -0.100 0.000 0.752 338 L CB -0.446 41.565 42.059 -0.079 0.000 0.896 338 L HN 0.275 nan 8.230 nan 0.000 0.433 339 L N -1.236 119.975 121.223 -0.019 0.000 2.056 339 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 339 L C 2.478 179.396 176.870 0.080 0.000 1.078 339 L CA 0.604 55.463 54.840 0.033 0.000 0.749 339 L CB -0.368 41.719 42.059 0.046 0.000 0.901 339 L HN 0.228 nan 8.230 nan 0.000 0.433 340 L N -0.087 121.185 121.223 0.081 0.000 1.989 340 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 340 L C 2.877 179.888 176.870 0.236 0.000 1.071 340 L CA 2.254 57.207 54.840 0.188 0.000 0.749 340 L CB -1.701 40.417 42.059 0.099 0.000 0.890 340 L HN 0.235 nan 8.230 nan 0.000 0.431 341 A N -0.488 122.384 122.820 0.085 0.000 1.883 341 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 341 A C 2.507 180.166 177.584 0.125 0.000 1.186 341 A CA 2.197 54.284 52.037 0.084 0.000 0.624 341 A CB -0.790 18.207 19.000 -0.006 0.000 0.822 341 A HN 0.441 nan 8.150 nan 0.000 0.444 342 A N -0.242 122.630 122.820 0.087 0.000 1.877 342 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 342 A C 2.148 179.778 177.584 0.077 0.000 1.186 342 A CA 2.165 54.243 52.037 0.069 0.000 0.620 342 A CB -0.524 18.501 19.000 0.042 0.000 0.822 342 A HN 0.583 nan 8.150 nan 0.000 0.443 343 K N -1.578 118.879 120.400 0.095 0.000 2.103 343 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 343 K C 1.239 177.800 176.600 -0.065 0.000 1.048 343 K CA 1.693 57.986 56.287 0.009 0.000 0.930 343 K CB -0.291 32.206 32.500 -0.004 0.000 0.716 343 K HN 0.395 nan 8.250 nan 0.000 0.444 344 F N 0.238 120.203 119.950 0.026 0.000 2.811 344 F HA 0.216 4.743 4.527 -0.000 0.000 0.301 344 F C 1.264 177.080 175.800 0.027 0.000 1.151 344 F CA 0.749 58.766 58.000 0.029 0.000 1.412 344 F CB 0.520 39.541 39.000 0.035 0.000 1.113 344 F HN 0.292 nan 8.300 nan 0.000 0.579 345 G N 1.404 110.297 108.800 0.156 0.000 2.246 345 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.273 345 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.273 345 G C -0.123 174.844 174.900 0.112 0.000 1.055 345 G CA 0.283 45.445 45.100 0.104 0.000 0.851 345 G HN 0.588 nan 8.290 nan 0.000 0.500 346 V N -2.305 117.682 119.914 0.122 0.000 2.495 346 V HA 0.849 4.969 4.120 -0.000 0.000 0.298 346 V C 0.589 176.730 176.094 0.079 0.000 1.031 346 V CA -1.583 60.775 62.300 0.095 0.000 0.871 346 V CB 1.287 33.161 31.823 0.085 0.000 0.988 346 V HN 0.432 nan 8.190 nan 0.000 0.432 347 R N 3.003 123.557 120.500 0.091 0.000 2.738 347 R HA 0.585 4.925 4.340 -0.000 0.000 0.268 347 R C -0.251 176.115 176.300 0.110 0.000 1.062 347 R CA 0.135 56.294 56.100 0.098 0.000 1.158 347 R CB 1.400 31.807 30.300 0.178 0.000 1.046 347 R HN 0.992 nan 8.270 nan 0.000 0.493 348 V N 1.341 121.290 119.914 0.057 0.000 2.531 348 V HA 0.508 4.628 4.120 -0.000 0.000 0.301 348 V C -1.421 174.699 176.094 0.045 0.000 1.034 348 V CA -0.743 61.600 62.300 0.072 0.000 0.865 348 V CB 1.311 33.130 31.823 -0.007 0.000 0.995 348 V HN 0.553 nan 8.190 nan 0.000 0.424 349 F N 6.501 126.391 119.950 -0.100 0.000 2.311 349 F HA 0.617 5.144 4.527 0.000 0.000 0.371 349 F C -2.223 173.614 175.800 0.061 0.000 1.083 349 F CA -2.557 55.430 58.000 -0.021 0.000 1.113 349 F CB 1.581 40.455 39.000 -0.211 0.000 1.349 349 F HN 0.381 nan 8.300 nan 0.000 0.470 350 P HA -0.069 nan 4.420 nan 0.000 0.264 350 P C -0.536 176.879 177.300 0.191 0.000 1.183 350 P CA 0.343 63.511 63.100 0.114 0.000 0.763 350 P CB 0.277 31.954 31.700 -0.038 0.000 0.807 351 H N 2.637 121.765 119.070 0.097 0.000 2.562 351 H HA 0.622 5.178 4.556 -0.000 0.000 0.352 351 H C -0.229 175.105 175.328 0.010 0.000 1.125 351 H CA -0.064 56.038 56.048 0.091 0.000 1.379 351 H CB 0.545 30.364 29.762 0.095 0.000 1.464 351 H HN 0.493 nan 8.280 nan 0.000 0.563 352 A N 2.514 124.919 122.820 -0.693 0.000 3.136 352 A HA 0.774 5.094 4.320 -0.000 0.000 0.299 352 A C 0.432 177.626 177.584 -0.651 0.000 1.197 352 A CA -0.222 51.501 52.037 -0.524 0.000 0.640 352 A CB 0.287 19.149 19.000 -0.231 0.000 1.440 352 A HN 1.624 nan 8.150 nan 0.000 0.614 353 G N -1.828 106.718 108.800 -0.423 0.000 2.484 353 G HA2 0.467 4.427 3.960 -0.000 0.000 0.225 353 G HA3 0.467 4.427 3.960 -0.000 0.000 0.225 353 G C 1.499 175.996 174.900 -0.672 0.000 1.250 353 G CA 0.998 45.848 45.100 -0.416 0.000 0.926 353 G HN 2.915 nan 8.290 nan 0.000 0.581 354 G N -1.697 106.531 108.800 -0.953 0.000 2.627 354 G HA2 0.057 4.017 3.960 -0.000 0.000 0.312 354 G HA3 0.057 4.017 3.960 -0.000 0.000 0.312 354 G C 0.470 174.826 174.900 -0.908 0.000 1.299 354 G CA 1.720 45.724 45.100 -1.827 0.000 0.989 354 G HN 2.085 nan 8.290 nan 0.000 0.547 355 V N 1.273 120.733 119.914 -0.756 0.000 2.311 355 V HA 0.576 4.696 4.120 -0.000 0.000 0.275 355 V C 1.450 177.546 176.094 0.003 0.000 1.022 355 V CA 0.932 63.204 62.300 -0.046 0.000 0.830 355 V CB 0.053 32.089 31.823 0.355 0.000 1.012 355 V HN 2.641 nan 8.190 nan 0.000 0.452 356 G N 4.258 113.000 108.800 -0.095 0.000 2.196 356 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.268 356 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.268 356 G C 0.701 175.387 174.900 -0.356 0.000 0.975 356 G CA 0.572 45.350 45.100 -0.537 0.000 0.648 356 G HN 0.566 nan 8.290 nan 0.000 0.538 357 L N 0.422 121.468 121.223 -0.294 0.000 2.079 357 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 357 L C 3.090 179.852 176.870 -0.180 0.000 1.081 357 L CA 2.254 56.950 54.840 -0.240 0.000 0.752 357 L CB -1.241 40.617 42.059 -0.335 0.000 0.896 357 L HN 0.546 nan 8.230 nan 0.000 0.433 358 C N -0.969 118.251 119.300 -0.134 0.000 2.432 358 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 358 C C 2.595 177.560 174.990 -0.041 0.000 1.249 358 C CA 0.360 59.376 59.018 -0.003 0.000 1.725 358 C CB -0.725 27.172 27.740 0.261 0.000 2.028 358 C HN 0.490 nan 8.230 nan 0.000 0.477 359 E N 0.965 121.107 120.200 -0.097 0.000 2.118 359 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 359 E C 2.011 178.641 176.600 0.050 0.000 0.992 359 E CA 1.118 57.463 56.400 -0.091 0.000 0.804 359 E CB -0.303 29.181 29.700 -0.359 0.000 0.741 359 E HN 0.602 nan 8.360 nan 0.000 0.458 360 L N -0.772 120.430 121.223 -0.035 0.000 2.022 360 L HA -0.059 4.281 4.340 -0.000 0.000 0.204 360 L C 2.340 179.367 176.870 0.262 0.000 1.076 360 L CA 0.578 55.454 54.840 0.061 0.000 0.749 360 L CB -0.700 41.205 42.059 -0.257 0.000 0.903 360 L HN 0.026 nan 8.230 nan 0.000 0.439 361 V N 0.940 120.879 119.914 0.041 0.000 2.688 361 V HA -0.299 3.821 4.120 -0.000 0.000 0.256 361 V C 2.651 178.661 176.094 -0.139 0.000 1.084 361 V CA 2.118 64.410 62.300 -0.014 0.000 1.103 361 V CB -0.533 31.245 31.823 -0.075 0.000 0.688 361 V HN 0.679 nan 8.190 nan 0.000 0.480 362 Q N -1.161 118.485 119.800 -0.257 0.000 2.135 362 Q HA -0.299 4.041 4.340 -0.000 0.000 0.204 362 Q C 1.893 177.662 176.000 -0.384 0.000 0.981 362 Q CA 2.478 57.964 55.803 -0.529 0.000 0.856 362 Q CB -0.661 27.685 28.738 -0.653 0.000 0.902 362 Q HN 0.748 nan 8.270 nan 0.000 0.425 363 H N 0.846 119.872 119.070 -0.073 0.000 2.353 363 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 363 H C 2.038 177.352 175.328 -0.024 0.000 1.090 363 H CA 1.761 57.828 56.048 0.032 0.000 1.327 363 H CB -0.009 29.789 29.762 0.059 0.000 1.383 363 H HN 0.138 nan 8.280 nan 0.000 0.508 364 L N 0.037 121.290 121.223 0.050 0.000 2.017 364 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 364 L C 1.749 178.573 176.870 -0.077 0.000 1.073 364 L CA 0.351 55.174 54.840 -0.028 0.000 0.745 364 L CB -0.543 41.496 42.059 -0.033 0.000 0.894 364 L HN 0.253 nan 8.230 nan 0.000 0.432 368 D N -0.373 120.097 120.400 0.117 0.000 2.117 368 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 368 D C 1.624 178.010 176.300 0.144 0.000 0.987 368 D CA 2.020 56.078 54.000 0.097 0.000 0.829 368 D CB -0.209 40.635 40.800 0.073 0.000 0.961 368 D HN 0.455 nan 8.370 nan 0.000 0.460 369 F N 0.245 120.251 119.950 0.093 0.000 2.102 369 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 369 F C 1.982 177.815 175.800 0.054 0.000 1.105 369 F CA 1.291 59.334 58.000 0.072 0.000 1.239 369 F CB -0.262 38.798 39.000 0.100 0.000 0.991 369 F HN -0.090 nan 8.300 nan 0.000 0.474 370 V N 0.361 120.276 119.914 0.003 0.000 2.270 370 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 370 V C 2.473 178.511 176.094 -0.092 0.000 1.043 370 V CA 1.994 64.243 62.300 -0.085 0.000 1.014 370 V CB -1.249 30.698 31.823 0.207 0.000 0.645 370 V HN 0.473 nan 8.190 nan 0.000 0.447 371 A N -1.768 121.048 122.820 -0.008 0.000 2.267 371 A HA 0.311 4.631 4.320 -0.000 0.000 0.213 371 A C 1.893 179.461 177.584 -0.026 0.000 1.192 371 A CA 0.878 52.905 52.037 -0.016 0.000 0.851 371 A CB 0.078 19.085 19.000 0.012 0.000 0.881 371 A HN 0.576 nan 8.150 nan 0.000 0.494 372 I N -2.599 117.954 120.570 -0.028 0.000 4.399 372 I HA 0.035 4.205 4.170 -0.000 0.000 0.301 372 I C 1.827 177.927 176.117 -0.028 0.000 1.198 372 I CA 1.431 62.720 61.300 -0.019 0.000 1.315 372 I CB 0.406 38.408 38.000 0.004 0.000 1.452 372 I HN 0.196 nan 8.210 nan 0.000 0.457 373 T N -2.607 111.929 114.554 -0.030 0.000 3.056 373 T HA 0.333 4.683 4.350 -0.000 0.000 0.241 373 T C 1.632 176.284 174.700 -0.079 0.000 1.006 373 T CA 0.772 62.858 62.100 -0.023 0.000 1.115 373 T CB 0.245 69.131 68.868 0.030 0.000 0.939 373 T HN 0.707 nan 8.240 nan 0.000 0.462 374 G N 1.951 110.632 108.800 -0.199 0.000 2.143 374 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.248 374 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.248 374 G C -0.067 174.801 174.900 -0.052 0.000 0.991 374 G CA 0.591 45.434 45.100 -0.427 0.000 0.689 374 G HN 0.747 nan 8.290 nan 0.000 0.522 378 D N 1.142 121.492 120.400 -0.084 0.000 2.349 378 D HA 0.031 4.671 4.640 -0.000 0.000 0.214 378 D C 0.976 177.237 176.300 -0.064 0.000 1.063 378 D CA 0.074 54.065 54.000 -0.014 0.000 0.847 378 D CB 0.627 41.437 40.800 0.016 0.000 0.933 378 D HN 0.142 nan 8.370 nan 0.000 0.513 379 R N -0.535 119.803 120.500 -0.269 0.000 3.041 379 R HA 0.846 5.186 4.340 -0.000 0.000 0.254 379 R C -1.407 174.590 176.300 -0.505 0.000 1.244 379 R CA -0.967 54.617 56.100 -0.859 0.000 1.023 379 R CB 0.726 30.456 30.300 -0.950 0.000 1.332 379 R HN -0.031 nan 8.270 nan 0.000 0.463 380 A N 0.161 122.629 122.820 -0.588 0.000 2.583 380 A HA 0.528 4.848 4.320 -0.000 0.000 0.292 380 A C -1.361 176.396 177.584 0.289 0.000 1.045 380 A CA -0.861 51.270 52.037 0.156 0.000 0.672 380 A CB 1.078 20.353 19.000 0.458 0.000 1.283 380 A HN 0.557 nan 8.150 nan 0.000 0.419 381 I N 1.338 122.085 120.570 0.295 0.000 2.353 381 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 381 I C 0.675 176.901 176.117 0.183 0.000 0.992 381 I CA -0.335 61.031 61.300 0.110 0.000 1.268 381 I CB 1.577 39.402 38.000 -0.293 0.000 1.387 381 I HN 0.860 nan 8.210 nan 0.000 0.478 382 E N 5.653 125.819 120.200 -0.056 0.000 2.392 382 E HA 0.179 4.529 4.350 -0.000 0.000 0.264 382 E C -1.567 174.976 176.600 -0.095 0.000 1.024 382 E CA -0.165 55.883 56.400 -0.587 0.000 0.903 382 E CB 0.882 30.322 29.700 -0.434 0.000 0.963 382 E HN 0.440 nan 8.360 nan 0.000 0.432 383 F N 4.246 124.008 119.950 -0.312 0.000 2.556 383 F HA 0.531 5.058 4.527 -0.000 0.000 0.314 383 F C -1.784 173.960 175.800 -0.093 0.000 1.106 383 F CA -0.644 57.307 58.000 -0.081 0.000 0.911 383 F CB 1.524 40.473 39.000 -0.085 0.000 1.190 383 F HN 0.210 nan 8.300 nan 0.000 0.448 384 V N 4.010 123.298 119.914 -1.044 0.000 2.808 384 V HA 0.250 4.370 4.120 -0.000 0.000 0.308 384 V C -1.289 174.336 176.094 -0.781 0.000 1.099 384 V CA -0.826 61.107 62.300 -0.611 0.000 0.920 384 V CB 1.858 33.615 31.823 -0.109 0.000 1.014 384 V HN 0.679 nan 8.190 nan 0.000 0.425 385 D N 2.801 123.002 120.400 -0.331 0.000 2.563 385 D HA 0.354 4.994 4.640 -0.000 0.000 0.222 385 D C -0.562 175.682 176.300 -0.093 0.000 1.145 385 D CA 0.191 54.166 54.000 -0.043 0.000 1.001 385 D CB -0.317 40.573 40.800 0.150 0.000 1.049 385 D HN 0.675 nan 8.370 nan 0.000 0.515 386 H N 1.645 120.549 119.070 -0.275 0.000 2.930 386 H HA 0.265 4.821 4.556 -0.000 0.000 0.371 386 H C 0.479 175.503 175.328 -0.507 0.000 1.169 386 H CA -0.880 54.986 56.048 -0.302 0.000 1.157 386 H CB 1.353 31.001 29.762 -0.189 0.000 1.789 386 H HN -0.120 nan 8.280 nan 0.000 0.547 387 L N 1.303 122.400 121.223 -0.211 0.000 4.245 387 L HA -0.315 4.025 4.340 -0.000 0.000 0.438 387 L C 1.149 178.051 176.870 0.054 0.000 1.121 387 L CA 1.056 55.801 54.840 -0.158 0.000 0.984 387 L CB -2.233 39.565 42.059 -0.435 0.000 1.873 387 L HN 0.873 nan 8.230 nan 0.000 1.054 388 H N 0.870 120.047 119.070 0.179 0.000 2.489 388 H HA -0.092 4.464 4.556 -0.000 0.000 0.293 388 H C 2.105 177.583 175.328 0.249 0.000 1.066 388 H CA 1.577 57.779 56.048 0.256 0.000 1.305 388 H CB 0.223 30.085 29.762 0.166 0.000 1.386 388 H HN 0.711 nan 8.280 nan 0.000 0.551 389 Q N 0.970 120.874 119.800 0.174 0.000 2.436 389 Q HA -0.125 4.215 4.340 -0.000 0.000 0.209 389 Q C 0.582 176.571 176.000 -0.018 0.000 0.965 389 Q CA 1.127 56.945 55.803 0.025 0.000 0.910 389 Q CB -0.560 28.085 28.738 -0.155 0.000 0.980 389 Q HN 0.562 nan 8.270 nan 0.000 0.491 390 H N -0.738 118.362 119.070 0.049 0.000 2.533 390 H HA 0.294 4.850 4.556 -0.000 0.000 0.271 390 H C -0.694 174.394 175.328 -0.400 0.000 1.000 390 H CA -0.057 55.932 56.048 -0.098 0.000 1.149 390 H CB -0.038 29.524 29.762 -0.334 0.000 1.375 390 H HN 0.079 nan 8.280 nan 0.000 0.582 391 F N -0.629 119.359 119.950 0.063 0.000 2.508 391 F HA 0.192 4.719 4.527 -0.000 0.000 0.325 391 F C 0.584 176.247 175.800 -0.228 0.000 1.090 391 F CA -0.994 56.946 58.000 -0.101 0.000 0.945 391 F CB 1.486 40.504 39.000 0.029 0.000 1.156 391 F HN -0.144 nan 8.300 nan 0.000 0.463 392 L N 0.899 121.995 121.223 -0.212 0.000 2.141 392 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 392 L C 0.751 177.655 176.870 0.058 0.000 1.094 392 L CA 1.602 56.342 54.840 -0.166 0.000 0.763 392 L CB -0.366 41.589 42.059 -0.173 0.000 0.908 392 L HN 0.534 nan 8.230 nan 0.000 0.437 393 D N 0.106 120.578 120.400 0.120 0.000 2.634 393 D HA 0.165 4.805 4.640 -0.000 0.000 0.318 393 D C -2.404 173.985 176.300 0.149 0.000 1.226 393 D CA -2.141 51.940 54.000 0.136 0.000 0.899 393 D CB 0.597 41.484 40.800 0.144 0.000 1.025 393 D HN -0.007 nan 8.370 nan 0.000 0.501 394 P HA 0.010 nan 4.420 nan 0.000 0.269 394 P C 0.422 177.760 177.300 0.064 0.000 1.209 394 P CA -0.451 62.741 63.100 0.153 0.000 0.776 394 P CB 1.046 32.865 31.700 0.199 0.000 0.876 395 V N 1.185 121.103 119.914 0.006 0.000 3.139 395 V HA 0.225 4.345 4.120 -0.000 0.000 0.307 395 V C 0.376 176.421 176.094 -0.082 0.000 1.095 395 V CA -0.181 62.124 62.300 0.008 0.000 1.160 395 V CB -0.403 31.492 31.823 0.120 0.000 1.003 395 V HN 0.449 nan 8.190 nan 0.000 0.489 396 R N 3.676 124.123 120.500 -0.089 0.000 2.435 396 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 396 R C -1.243 174.884 176.300 -0.289 0.000 0.975 396 R CA -0.691 55.316 56.100 -0.155 0.000 0.867 396 R CB 1.623 31.878 30.300 -0.075 0.000 1.171 396 R HN 0.631 nan 8.270 nan 0.000 0.470 397 I N 3.122 123.436 120.570 -0.425 0.000 2.321 397 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 397 I C -0.023 175.872 176.117 -0.370 0.000 0.998 397 I CA -0.206 60.757 61.300 -0.563 0.000 1.227 397 I CB 1.454 38.927 38.000 -0.878 0.000 1.368 397 I HN 0.612 nan 8.210 nan 0.000 0.466 398 Q N 6.661 126.277 119.800 -0.308 0.000 2.381 398 Q HA 0.187 4.527 4.340 -0.000 0.000 0.263 398 Q C -0.189 175.702 176.000 -0.181 0.000 1.030 398 Q CA -0.420 55.266 55.803 -0.195 0.000 0.772 398 Q CB 0.492 29.153 28.738 -0.129 0.000 1.232 398 Q HN 0.635 nan 8.270 nan 0.000 0.476 399 H N 2.992 121.867 119.070 -0.326 0.000 2.680 399 H HA -0.224 4.332 4.556 -0.000 0.000 0.328 399 H C 0.499 175.521 175.328 -0.511 0.000 1.139 399 H CA 1.357 57.195 56.048 -0.349 0.000 1.124 399 H CB -0.804 28.826 29.762 -0.220 0.000 1.584 399 H HN 1.174 nan 8.280 nan 0.000 0.410 400 G N 1.389 109.580 108.800 -1.015 0.000 2.179 400 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 400 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 400 G C 0.123 174.660 174.900 -0.605 0.000 1.010 400 G CA 0.729 45.019 45.100 -1.351 0.000 0.736 400 G HN 0.695 nan 8.290 nan 0.000 0.513 401 R N -1.654 118.574 120.500 -0.452 0.000 2.698 401 R HA 0.473 4.813 4.340 -0.000 0.000 0.275 401 R C -1.072 175.085 176.300 -0.238 0.000 1.001 401 R CA -0.955 55.014 56.100 -0.220 0.000 0.896 401 R CB 1.277 31.494 30.300 -0.139 0.000 1.218 401 R HN 0.113 nan 8.270 nan 0.000 0.462 402 Y N 2.060 122.281 120.300 -0.132 0.000 2.335 402 Y HA 0.192 4.742 4.550 -0.000 0.000 0.331 402 Y C 0.448 176.254 175.900 -0.157 0.000 1.094 402 Y CA 0.016 58.024 58.100 -0.154 0.000 1.253 402 Y CB 0.725 39.097 38.460 -0.146 0.000 1.203 402 Y HN 0.226 nan 8.280 nan 0.000 0.508 403 L N 3.997 125.210 121.223 -0.016 0.000 2.326 403 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 403 L C 0.392 177.228 176.870 -0.057 0.000 1.092 403 L CA -0.951 53.861 54.840 -0.047 0.000 0.810 403 L CB 0.852 42.881 42.059 -0.049 0.000 1.153 403 L HN 0.700 nan 8.230 nan 0.000 0.439 404 A N 6.243 128.992 122.820 -0.119 0.000 2.522 404 A HA 0.317 4.637 4.320 -0.000 0.000 0.256 404 A C -2.018 175.590 177.584 0.039 0.000 1.086 404 A CA -0.962 50.947 52.037 -0.214 0.000 0.763 404 A CB -0.708 18.082 19.000 -0.349 0.000 1.024 404 A HN 0.448 nan 8.150 nan 0.000 0.502 405 P HA 0.107 nan 4.420 nan 0.000 0.269 405 P C -0.146 177.383 177.300 0.382 0.000 1.215 405 P CA 0.236 63.469 63.100 0.222 0.000 0.780 405 P CB 0.896 32.715 31.700 0.199 0.000 0.898 406 E N -0.170 120.182 120.200 0.254 0.000 2.391 406 E HA 0.090 4.440 4.350 -0.000 0.000 0.206 406 E C 0.191 176.881 176.600 0.150 0.000 0.851 406 E CA -0.105 56.420 56.400 0.208 0.000 1.059 406 E CB 0.286 30.077 29.700 0.152 0.000 1.065 406 E HN 0.146 nan 8.360 nan 0.000 0.512 407 V N 3.665 123.668 119.914 0.149 0.000 2.999 407 V HA 0.041 4.161 4.120 -0.000 0.000 0.307 407 V C -2.197 173.966 176.094 0.114 0.000 1.084 407 V CA -1.121 61.248 62.300 0.116 0.000 1.155 407 V CB 0.264 32.156 31.823 0.115 0.000 0.975 407 V HN 0.016 nan 8.190 nan 0.000 0.490 408 P HA 0.478 nan 4.420 nan 0.000 0.271 408 P C 0.246 177.577 177.300 0.051 0.000 1.216 408 P CA 1.069 64.192 63.100 0.038 0.000 0.776 408 P CB 0.660 32.369 31.700 0.015 0.000 0.881 409 G N 1.447 110.250 108.800 0.005 0.000 2.373 409 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.634 409 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.634 409 G C -0.472 174.391 174.900 -0.062 0.000 1.267 409 G CA -0.722 44.386 45.100 0.014 0.000 1.008 409 G HN 0.442 nan 8.290 nan 0.000 0.497 410 F N 0.947 120.802 119.950 -0.158 0.000 2.727 410 F HA 0.322 4.849 4.527 -0.000 0.000 0.302 410 F C 1.736 177.493 175.800 -0.070 0.000 1.097 410 F CA 0.542 58.360 58.000 -0.303 0.000 1.330 410 F CB 0.179 39.118 39.000 -0.102 0.000 1.084 410 F HN 0.737 nan 8.300 nan 0.000 0.578 411 S N -0.102 115.763 115.700 0.275 0.000 3.476 411 S HA -0.298 4.172 4.470 -0.000 0.000 0.309 411 S C 1.027 175.730 174.600 0.171 0.000 1.222 411 S CA 0.469 58.822 58.200 0.254 0.000 0.922 411 S CB -1.801 61.610 63.200 0.352 0.000 1.023 411 S HN 0.598 nan 8.310 nan 0.000 0.591 412 A N 0.170 123.107 122.820 0.195 0.000 2.081 412 A HA 0.242 4.562 4.320 -0.000 0.000 0.214 412 A C 0.912 178.741 177.584 0.407 0.000 1.158 412 A CA 0.630 52.823 52.037 0.260 0.000 0.724 412 A CB -0.030 19.077 19.000 0.179 0.000 0.826 412 A HN 0.678 nan 8.150 nan 0.000 0.463 416 P HA -0.143 nan 4.420 nan 0.000 0.216 416 P C 1.356 178.704 177.300 0.080 0.000 1.150 416 P CA 2.179 65.326 63.100 0.079 0.000 0.843 416 P CB 0.253 32.009 31.700 0.093 0.000 0.787 417 A N -0.884 121.995 122.820 0.099 0.000 1.972 417 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 417 A C 2.314 179.980 177.584 0.137 0.000 1.169 417 A CA 2.059 54.145 52.037 0.081 0.000 0.635 417 A CB -1.398 17.625 19.000 0.038 0.000 0.810 417 A HN 0.135 nan 8.150 nan 0.000 0.446 418 S N -0.263 115.567 115.700 0.216 0.000 2.355 418 S HA -0.105 4.365 4.470 -0.000 0.000 0.222 418 S C 1.742 176.519 174.600 0.295 0.000 1.031 418 S CA 1.464 59.907 58.200 0.405 0.000 0.993 418 S CB -0.398 63.087 63.200 0.475 0.000 0.859 418 S HN 0.445 nan 8.310 nan 0.000 0.453 419 I N 2.206 122.831 120.570 0.091 0.000 2.226 419 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 419 I C 2.510 178.670 176.117 0.071 0.000 1.100 419 I CA 1.028 62.331 61.300 0.006 0.000 1.374 419 I CB -0.795 37.114 38.000 -0.152 0.000 1.057 419 I HN 0.236 nan 8.210 nan 0.000 0.413 420 A N -0.401 122.459 122.820 0.067 0.000 1.972 420 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 420 A C 2.297 179.901 177.584 0.033 0.000 1.169 420 A CA 1.997 54.069 52.037 0.059 0.000 0.635 420 A CB -0.499 18.530 19.000 0.048 0.000 0.810 420 A HN 0.414 nan 8.150 nan 0.000 0.446 421 E N -1.173 119.030 120.200 0.005 0.000 2.122 421 E HA 0.047 4.397 4.350 -0.000 0.000 0.190 421 E C 0.770 177.145 176.600 -0.375 0.000 0.977 421 E CA 0.907 57.177 56.400 -0.216 0.000 0.820 421 E CB -0.201 29.306 29.700 -0.322 0.000 0.770 421 E HN 0.567 nan 8.360 nan 0.000 0.462 422 F N 0.215 120.232 119.950 0.111 0.000 2.654 422 F HA 0.384 4.911 4.527 -0.000 0.000 0.303 422 F C 0.596 176.555 175.800 0.266 0.000 1.099 422 F CA -0.386 57.699 58.000 0.140 0.000 1.270 422 F CB 0.479 39.355 39.000 -0.205 0.000 1.024 422 F HN -0.247 nan 8.300 nan 0.000 0.548 423 S N 0.388 116.279 115.700 0.319 0.000 2.568 423 S HA 0.015 4.485 4.470 -0.000 0.000 0.282 423 S C -0.833 173.962 174.600 0.324 0.000 1.338 423 S CA 0.068 58.424 58.200 0.260 0.000 1.045 423 S CB 0.312 63.638 63.200 0.209 0.000 0.873 423 S HN 0.292 nan 8.310 nan 0.000 0.516 424 Y N 4.733 125.032 120.300 -0.002 0.000 2.364 424 Y HA 0.472 5.022 4.550 -0.000 0.000 0.340 424 Y C -1.990 173.853 175.900 -0.095 0.000 0.975 424 Y CA -2.021 55.959 58.100 -0.199 0.000 1.089 424 Y CB 1.883 40.023 38.460 -0.533 0.000 1.192 424 Y HN 0.427 nan 8.280 nan 0.000 0.454 425 P HA 0.130 nan 4.420 nan 0.000 0.278 425 P C -0.465 176.719 177.300 -0.193 0.000 1.502 425 P CA 0.143 62.775 63.100 -0.780 0.000 1.114 425 P CB 0.434 31.447 31.700 -1.146 0.000 1.541 426 D N -0.864 119.500 120.400 -0.060 0.000 2.339 426 D HA 0.070 4.710 4.640 -0.000 0.000 0.217 426 D C 1.075 177.421 176.300 0.076 0.000 1.050 426 D CA -0.118 53.888 54.000 0.009 0.000 0.856 426 D CB -0.580 40.226 40.800 0.010 0.000 0.922 426 D HN -0.005 nan 8.370 nan 0.000 0.518 427 G N 0.405 109.303 108.800 0.163 0.000 2.667 427 G HA2 0.055 4.015 3.960 -0.000 0.000 0.250 427 G HA3 0.055 4.015 3.960 -0.000 0.000 0.250 427 G C 0.831 175.789 174.900 0.096 0.000 1.212 427 G CA -0.614 44.587 45.100 0.169 0.000 0.874 427 G HN 0.013 nan 8.290 nan 0.000 0.561 428 R N -0.356 120.149 120.500 0.008 0.000 2.073 428 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 428 R C 2.247 178.490 176.300 -0.094 0.000 1.134 428 R CA 1.713 57.784 56.100 -0.049 0.000 0.952 428 R CB -0.394 29.858 30.300 -0.080 0.000 0.850 428 R HN 0.576 nan 8.270 nan 0.000 0.433 429 F N -0.303 119.444 119.950 -0.339 0.000 2.171 429 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 429 F C 1.398 176.954 175.800 -0.407 0.000 1.090 429 F CA 1.402 59.120 58.000 -0.471 0.000 1.293 429 F CB -0.175 38.349 39.000 -0.794 0.000 1.013 429 F HN 0.037 nan 8.300 nan 0.000 0.486 430 W N -0.549 120.797 121.300 0.077 0.000 2.476 430 W HA -0.005 4.655 4.660 -0.000 0.000 0.281 430 W C 2.267 178.712 176.519 -0.123 0.000 1.230 430 W CA 0.962 58.319 57.345 0.020 0.000 1.287 430 W CB -0.615 28.947 29.460 0.170 0.000 1.108 430 W HN -0.245 nan 8.180 nan 0.000 0.567 431 V N 0.386 120.340 119.914 0.067 0.000 2.379 431 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 431 V C 2.123 178.175 176.094 -0.070 0.000 1.044 431 V CA 2.240 64.536 62.300 -0.007 0.000 1.036 431 V CB -0.848 30.966 31.823 -0.014 0.000 0.664 431 V HN 0.233 nan 8.190 nan 0.000 0.453 432 E N 0.296 120.413 120.200 -0.139 0.000 2.058 432 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 432 E C 2.076 178.545 176.600 -0.219 0.000 0.997 432 E CA 1.781 58.072 56.400 -0.182 0.000 0.801 432 E CB -0.264 29.293 29.700 -0.238 0.000 0.746 432 E HN 0.686 nan 8.360 nan 0.000 0.450 433 D N 0.485 120.680 120.400 -0.342 0.000 2.084 433 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 433 D C 2.005 178.253 176.300 -0.085 0.000 0.985 433 D CA 0.987 54.802 54.000 -0.308 0.000 0.826 433 D CB -0.087 40.394 40.800 -0.532 0.000 0.978 433 D HN 0.282 nan 8.370 nan 0.000 0.456 434 L N 0.638 121.864 121.223 0.004 0.000 2.700 434 L HA -0.004 4.336 4.340 -0.000 0.000 0.240 434 L C 2.123 178.991 176.870 -0.005 0.000 1.162 434 L CA 0.224 55.087 54.840 0.038 0.000 0.874 434 L CB -0.195 41.899 42.059 0.057 0.000 1.001 434 L HN 0.047 nan 8.230 nan 0.000 0.447 435 A N -0.520 122.279 122.820 -0.035 0.000 2.238 435 A HA 0.570 4.890 4.320 -0.000 0.000 0.210 435 A C 1.002 178.567 177.584 -0.033 0.000 1.179 435 A CA 0.692 52.707 52.037 -0.036 0.000 0.827 435 A CB 0.065 19.035 19.000 -0.050 0.000 0.856 435 A HN 0.329 nan 8.150 nan 0.000 0.488 436 A N 0.000 122.800 122.820 -0.034 0.000 2.254 436 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 436 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 436 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 436 A HN 0.000 nan 8.150 nan 0.000 0.486