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 3lv2_1_A DATA FIRST_RESID 7 DATA SEQUENCE GLTPEQIIAV DGAHLWHPYX XXXXXXXSPV VAVAAHGAWL TLIRDGQPIE DATA SEQUENCE VLDAMSSWWT AIHGHGHPAL DQALTTQLRV MNHVMFGGLT HEPAARLAKL DATA SEQUENCE LVDITPAGLD TVFFSDSGSV SVEVAAKMAL QYWRGRGLPG KRRLMTWRGG DATA SEQUENCE YHGDTFLAMS ICDPHGGMHS LWTDVLAAQV FAPQVPRDYD PAYSAAFEAQ DATA SEQUENCE LAQHAGELAA VVVEPVVQGA GGMRFHDPRY LHDLRDICRR YEVLLIFDEI DATA SEQUENCE ATGFGRTGAL FAADHAGVSP DIMCVGKALT GGYLSLAATL CTADVAHTIS DATA SEQUENCE AGAAXXLMRG PTFMANPLAC AVSVASVELL LGQDWRTRIT ELAAGLTAGL DATA SEQUENCE DTARALPAVT DVRVCGAIGV IECDRPVDLA VATPAALDRG VWLRPFRNLV DATA SEQUENCE YAMPPYICTP AEITQITSAM VEVARLVGSL P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 G HA2 0.000 nan 3.960 nan 0.000 0.244 7 G HA3 0.000 3.930 3.960 -0.050 0.000 0.244 7 G C 0.000 174.898 174.900 -0.003 0.000 0.946 7 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 8 L N 1.733 122.955 121.223 -0.002 0.000 2.499 8 L HA 0.292 4.602 4.340 -0.050 0.000 0.281 8 L C 1.588 178.455 176.870 -0.005 0.000 1.234 8 L CA 0.298 55.138 54.840 -0.001 0.000 0.839 8 L CB 0.369 42.429 42.059 0.002 0.000 1.104 8 L HN 0.437 nan 8.230 nan 0.000 0.500 9 T N -1.231 113.321 114.554 -0.004 0.000 2.882 9 T HA 0.230 4.550 4.350 -0.050 0.000 0.287 9 T C -1.843 172.851 174.700 -0.009 0.000 1.014 9 T CA -1.788 60.308 62.100 -0.007 0.000 1.049 9 T CB 1.340 70.204 68.868 -0.006 0.000 1.001 9 T HN 0.352 nan 8.240 nan 0.000 0.525 10 P HA -0.120 nan 4.420 nan 0.000 0.217 10 P C 1.398 178.690 177.300 -0.013 0.000 1.151 10 P CA 1.232 64.321 63.100 -0.017 0.000 0.849 10 P CB 0.081 31.769 31.700 -0.020 0.000 0.787 11 E N -0.732 119.462 120.200 -0.010 0.000 2.106 11 E HA -0.184 4.135 4.350 -0.050 0.000 0.192 11 E C 2.155 178.752 176.600 -0.005 0.000 0.984 11 E CA 0.876 57.271 56.400 -0.008 0.000 0.806 11 E CB -0.242 29.453 29.700 -0.007 0.000 0.750 11 E HN 0.433 nan 8.360 nan 0.000 0.458 12 Q N 0.354 120.153 119.800 -0.002 0.000 2.083 12 Q HA -0.111 4.199 4.340 -0.050 0.000 0.198 12 Q C 2.310 178.315 176.000 0.008 0.000 0.969 12 Q CA 0.891 56.696 55.803 0.004 0.000 0.838 12 Q CB -0.046 28.696 28.738 0.007 0.000 0.900 12 Q HN 0.310 nan 8.270 nan 0.000 0.436 13 I N 0.631 121.204 120.570 0.005 0.000 2.151 13 I HA -0.336 3.804 4.170 -0.050 0.000 0.243 13 I C 2.174 178.299 176.117 0.013 0.000 1.080 13 I CA 1.359 62.665 61.300 0.010 0.000 1.339 13 I CB -0.304 37.695 38.000 -0.001 0.000 1.039 13 I HN 0.199 nan 8.210 nan 0.000 0.409 14 I N 0.577 121.148 120.570 0.001 0.000 2.226 14 I HA -0.288 3.852 4.170 -0.050 0.000 0.245 14 I C 2.750 178.862 176.117 -0.008 0.000 1.100 14 I CA 1.388 62.686 61.300 -0.003 0.000 1.374 14 I CB -0.449 37.543 38.000 -0.013 0.000 1.057 14 I HN 0.196 nan 8.210 nan 0.000 0.413 15 A N 0.245 123.058 122.820 -0.011 0.000 1.877 15 A HA -0.156 4.134 4.320 -0.050 0.000 0.216 15 A C 2.441 180.002 177.584 -0.039 0.000 1.186 15 A CA 1.840 53.862 52.037 -0.025 0.000 0.620 15 A CB -1.033 17.958 19.000 -0.016 0.000 0.822 15 A HN 0.217 nan 8.150 nan 0.000 0.443 16 V N 0.941 120.855 119.914 0.001 0.000 2.343 16 V HA -0.257 3.833 4.120 -0.050 0.000 0.247 16 V C 2.466 178.575 176.094 0.025 0.000 1.051 16 V CA 2.376 64.700 62.300 0.040 0.000 1.036 16 V CB -0.691 31.189 31.823 0.096 0.000 0.654 16 V HN 0.743 nan 8.190 nan 0.000 0.451 17 D N 0.372 120.796 120.400 0.040 0.000 2.117 17 D HA -0.119 4.491 4.640 -0.050 0.000 0.198 17 D C 2.166 178.493 176.300 0.046 0.000 0.982 17 D CA 1.595 55.645 54.000 0.084 0.000 0.828 17 D CB -0.114 40.761 40.800 0.124 0.000 0.967 17 D HN 0.417 nan 8.370 nan 0.000 0.464 18 G N 0.610 109.402 108.800 -0.013 0.000 2.422 18 G HA2 -0.177 3.752 3.960 -0.050 0.000 0.218 18 G HA3 -0.177 3.752 3.960 -0.050 0.000 0.218 18 G C 1.711 176.543 174.900 -0.114 0.000 1.146 18 G CA 1.273 46.343 45.100 -0.050 0.000 0.769 18 G HN 0.443 nan 8.290 nan 0.000 0.547 19 A N -0.573 122.115 122.820 -0.220 0.000 1.975 19 A HA 0.214 4.504 4.320 -0.050 0.000 0.215 19 A C 1.872 179.192 177.584 -0.441 0.000 1.170 19 A CA 1.569 53.342 52.037 -0.440 0.000 0.656 19 A CB -0.165 18.387 19.000 -0.747 0.000 0.821 19 A HN 0.547 nan 8.150 nan 0.000 0.449 20 H N -2.740 116.345 119.070 0.025 0.000 3.643 20 H HA 0.429 4.955 4.556 -0.050 0.000 0.256 20 H C -0.480 174.887 175.328 0.066 0.000 1.107 20 H CA -0.518 55.554 56.048 0.040 0.000 1.175 20 H CB 0.687 30.471 29.762 0.037 0.000 1.519 20 H HN 0.212 nan 8.280 nan 0.000 0.565 21 L N 1.514 122.834 121.223 0.161 0.000 2.295 21 L HA 0.193 4.503 4.340 -0.050 0.000 0.285 21 L C -0.913 176.070 176.870 0.188 0.000 1.035 21 L CA -0.672 54.253 54.840 0.141 0.000 0.806 21 L CB 1.548 43.650 42.059 0.072 0.000 1.214 21 L HN 0.261 nan 8.230 nan 0.000 0.426 22 W N 4.459 125.770 121.300 0.018 0.000 2.390 22 W HA 0.334 4.963 4.660 -0.052 0.000 0.312 22 W C -0.256 176.248 176.519 -0.023 0.000 1.123 22 W CA -0.486 56.897 57.345 0.062 0.000 1.202 22 W CB 0.854 30.350 29.460 0.061 0.000 1.251 22 W HN 0.495 nan 8.180 nan 0.000 0.511 23 H N 4.421 123.788 119.070 0.494 0.000 2.595 23 H HA 0.356 4.881 4.556 -0.051 0.000 0.346 23 H C -1.800 173.797 175.328 0.448 0.000 1.181 23 H CA -1.576 54.696 56.048 0.373 0.000 1.242 23 H CB 1.265 31.182 29.762 0.259 0.000 1.652 23 H HN 0.021 nan 8.280 nan 0.000 0.548 24 P HA 0.130 nan 4.420 nan 0.000 0.275 24 P C -0.747 176.861 177.300 0.512 0.000 1.228 24 P CA 0.152 63.496 63.100 0.406 0.000 0.786 24 P CB 0.668 32.581 31.700 0.355 0.000 0.927 35 P HA 0.450 nan 4.420 nan 0.000 0.274 35 P C -0.717 176.530 177.300 -0.087 0.000 1.237 35 P CA -0.501 62.510 63.100 -0.149 0.000 0.793 35 P CB 0.527 32.030 31.700 -0.328 0.000 0.977 36 V N 1.654 121.512 119.914 -0.092 0.000 2.509 36 V HA 0.080 4.170 4.120 -0.050 0.000 0.284 36 V C 0.611 176.611 176.094 -0.156 0.000 1.047 36 V CA -0.793 61.441 62.300 -0.110 0.000 0.952 36 V CB 1.508 33.258 31.823 -0.121 0.000 0.988 36 V HN 0.319 nan 8.190 nan 0.000 0.469 37 V N 4.563 124.410 119.914 -0.111 0.000 2.479 37 V HA 0.391 4.481 4.120 -0.050 0.000 0.281 37 V C 0.736 176.740 176.094 -0.151 0.000 1.031 37 V CA -0.012 62.224 62.300 -0.108 0.000 1.038 37 V CB 0.908 32.691 31.823 -0.067 0.000 0.981 37 V HN 1.009 nan 8.190 nan 0.000 0.478 38 A N 4.756 127.467 122.820 -0.181 0.000 2.274 38 A HA 0.626 4.915 4.320 -0.050 0.000 0.309 38 A C 0.551 178.046 177.584 -0.148 0.000 1.226 38 A CA -0.104 51.808 52.037 -0.207 0.000 0.853 38 A CB 1.381 20.209 19.000 -0.288 0.000 1.146 38 A HN 1.319 nan 8.150 nan 0.000 0.518 39 V N -0.856 118.984 119.914 -0.124 0.000 3.605 39 V HA 0.687 4.777 4.120 -0.050 0.000 0.284 39 V C 0.414 176.453 176.094 -0.092 0.000 1.386 39 V CA 0.707 62.954 62.300 -0.089 0.000 1.053 39 V CB -0.784 31.007 31.823 -0.055 0.000 0.857 39 V HN 1.789 nan 8.190 nan 0.000 0.436 40 A N -0.285 122.456 122.820 -0.132 0.000 2.597 40 A HA 0.947 5.236 4.320 -0.050 0.000 0.292 40 A C -0.936 176.476 177.584 -0.287 0.000 1.057 40 A CA -0.076 51.861 52.037 -0.168 0.000 0.674 40 A CB 1.137 20.138 19.000 0.002 0.000 1.278 40 A HN 1.762 nan 8.150 nan 0.000 0.416 41 A N 0.993 123.500 122.820 -0.523 0.000 2.456 41 A HA 0.772 5.061 4.320 -0.050 0.000 0.288 41 A C -1.367 175.832 177.584 -0.641 0.000 1.042 41 A CA -0.267 51.445 52.037 -0.542 0.000 0.738 41 A CB 0.794 19.326 19.000 -0.780 0.000 1.266 41 A HN 1.193 nan 8.150 nan 0.000 0.407 42 H N 0.826 119.934 119.070 0.063 0.000 3.017 42 H HA 0.574 5.099 4.556 -0.050 0.000 0.340 42 H C 0.835 176.301 175.328 0.231 0.000 1.014 42 H CA 0.485 56.611 56.048 0.131 0.000 1.341 42 H CB 1.785 31.591 29.762 0.073 0.000 1.739 42 H HN 1.787 nan 8.280 nan 0.000 0.506 43 G N 1.822 110.819 108.800 0.329 0.000 2.622 43 G HA2 -0.374 3.556 3.960 -0.050 0.000 0.307 43 G HA3 -0.374 3.556 3.960 -0.050 0.000 0.307 43 G C 1.141 176.234 174.900 0.322 0.000 1.226 43 G CA 0.625 45.908 45.100 0.305 0.000 0.997 43 G HN 0.956 nan 8.290 nan 0.000 0.551 44 A N -0.886 122.124 122.820 0.316 0.000 2.251 44 A HA 0.493 4.783 4.320 -0.050 0.000 0.209 44 A C 0.342 177.900 177.584 -0.044 0.000 1.187 44 A CA 0.863 52.961 52.037 0.103 0.000 0.823 44 A CB -0.173 18.803 19.000 -0.039 0.000 0.846 44 A HN 0.582 nan 8.150 nan 0.000 0.486 45 W N -0.601 120.779 121.300 0.132 0.000 2.632 45 W HA 0.646 5.278 4.660 -0.047 0.000 0.328 45 W C -0.506 176.001 176.519 -0.020 0.000 1.044 45 W CA -0.615 56.771 57.345 0.067 0.000 1.225 45 W CB 1.028 30.528 29.460 0.067 0.000 1.396 45 W HN -0.091 nan 8.180 nan 0.000 0.499 46 L N 2.244 123.550 121.223 0.139 0.000 2.331 46 L HA 0.637 4.947 4.340 -0.050 0.000 0.275 46 L C 0.145 177.040 176.870 0.042 0.000 1.022 46 L CA -0.857 53.956 54.840 -0.046 0.000 0.812 46 L CB 1.527 43.472 42.059 -0.189 0.000 1.257 46 L HN 0.250 nan 8.230 nan 0.000 0.435 47 T N 3.928 118.466 114.554 -0.027 0.000 2.770 47 T HA 0.585 4.905 4.350 -0.050 0.000 0.297 47 T C -0.156 174.503 174.700 -0.069 0.000 0.997 47 T CA -0.343 61.754 62.100 -0.006 0.000 0.949 47 T CB 0.431 69.306 68.868 0.013 0.000 0.941 47 T HN 0.256 nan 8.240 nan 0.000 0.457 48 L N 3.231 124.420 121.223 -0.058 0.000 2.319 48 L HA 0.631 4.941 4.340 -0.050 0.000 0.267 48 L C -0.408 176.431 176.870 -0.051 0.000 1.011 48 L CA -1.482 53.301 54.840 -0.096 0.000 0.818 48 L CB 1.546 43.529 42.059 -0.127 0.000 1.316 48 L HN 0.348 nan 8.230 nan 0.000 0.432 49 I N 2.430 122.965 120.570 -0.059 0.000 2.304 49 I HA 0.353 4.493 4.170 -0.050 0.000 0.291 49 I C -0.014 176.090 176.117 -0.021 0.000 1.018 49 I CA -0.030 61.250 61.300 -0.034 0.000 1.260 49 I CB 0.864 38.842 38.000 -0.036 0.000 1.390 49 I HN 0.599 nan 8.210 nan 0.000 0.475 50 R N 5.039 125.536 120.500 -0.005 0.000 2.476 50 R HA 0.293 4.602 4.340 -0.050 0.000 0.305 50 R C -0.662 175.641 176.300 0.005 0.000 0.965 50 R CA -0.326 55.778 56.100 0.006 0.000 0.867 50 R CB 0.697 31.009 30.300 0.021 0.000 1.176 50 R HN 0.536 nan 8.270 nan 0.000 0.447 51 D N 3.396 123.798 120.400 0.004 0.000 2.751 51 D HA -0.178 4.432 4.640 -0.050 0.000 0.233 51 D C 0.743 177.042 176.300 -0.001 0.000 1.149 51 D CA 2.177 56.179 54.000 0.002 0.000 0.682 51 D CB -0.863 39.941 40.800 0.005 0.000 1.068 51 D HN 1.043 nan 8.370 nan 0.000 0.429 52 G N -1.440 107.357 108.800 -0.004 0.000 2.162 52 G HA2 -0.327 3.602 3.960 -0.050 0.000 0.260 52 G HA3 -0.327 3.602 3.960 -0.050 0.000 0.260 52 G C 0.079 174.975 174.900 -0.007 0.000 0.976 52 G CA 0.508 45.604 45.100 -0.007 0.000 0.655 52 G HN 0.419 nan 8.290 nan 0.000 0.533 53 Q N -0.037 119.761 119.800 -0.005 0.000 2.365 53 Q HA 0.516 4.826 4.340 -0.050 0.000 0.269 53 Q C -2.702 173.296 176.000 -0.004 0.000 1.061 53 Q CA -1.980 53.821 55.803 -0.004 0.000 0.816 53 Q CB 2.650 31.388 28.738 -0.001 0.000 1.325 53 Q HN 0.215 nan 8.270 nan 0.000 0.446 54 P HA 0.322 nan 4.420 nan 0.000 0.275 54 P C -0.479 176.824 177.300 0.006 0.000 1.227 54 P CA -0.158 62.938 63.100 -0.005 0.000 0.781 54 P CB 0.478 32.173 31.700 -0.008 0.000 0.906 55 I N -1.624 118.956 120.570 0.017 0.000 2.730 55 I HA 0.557 4.696 4.170 -0.050 0.000 0.298 55 I C -0.558 175.605 176.117 0.078 0.000 1.089 55 I CA -1.234 60.092 61.300 0.044 0.000 1.041 55 I CB 2.713 40.747 38.000 0.055 0.000 1.235 55 I HN -0.011 nan 8.210 nan 0.000 0.423 56 E N 4.853 125.125 120.200 0.119 0.000 2.174 56 E HA 0.493 4.813 4.350 -0.050 0.000 0.282 56 E C -0.633 176.238 176.600 0.452 0.000 0.992 56 E CA -0.409 56.136 56.400 0.242 0.000 0.803 56 E CB 2.412 32.162 29.700 0.084 0.000 1.090 56 E HN 0.621 nan 8.360 nan 0.000 0.396 57 V N 0.357 120.534 119.914 0.438 0.000 2.876 57 V HA 0.509 4.599 4.120 -0.050 0.000 0.312 57 V C -0.177 175.894 176.094 -0.038 0.000 1.085 57 V CA -1.201 61.251 62.300 0.252 0.000 0.945 57 V CB 1.540 33.461 31.823 0.163 0.000 1.017 57 V HN 0.514 nan 8.190 nan 0.000 0.428 58 L N 2.376 123.311 121.223 -0.480 0.000 2.410 58 L HA 0.317 4.627 4.340 -0.050 0.000 0.273 58 L C 0.493 177.245 176.870 -0.196 0.000 1.152 58 L CA 0.058 54.497 54.840 -0.669 0.000 0.855 58 L CB 0.353 41.967 42.059 -0.742 0.000 1.129 58 L HN 0.776 nan 8.230 nan 0.000 0.463 59 D N 2.870 123.197 120.400 -0.121 0.000 2.545 59 D HA 0.133 4.742 4.640 -0.050 0.000 0.227 59 D C 0.927 177.244 176.300 0.028 0.000 1.150 59 D CA 0.066 54.104 54.000 0.065 0.000 1.046 59 D CB 0.983 41.873 40.800 0.150 0.000 1.098 59 D HN 0.586 nan 8.370 nan 0.000 0.502 60 A N 3.479 126.297 122.820 -0.004 0.000 2.121 60 A HA -0.112 4.178 4.320 -0.050 0.000 0.218 60 A C 1.780 179.343 177.584 -0.035 0.000 1.154 60 A CA 0.712 52.713 52.037 -0.059 0.000 0.679 60 A CB -0.145 18.785 19.000 -0.117 0.000 0.795 60 A HN 0.459 nan 8.150 nan 0.000 0.458 61 M N -1.210 118.408 119.600 0.031 0.000 2.556 61 M HA 0.163 4.613 4.480 -0.050 0.000 0.245 61 M C 0.894 177.342 176.300 0.247 0.000 1.128 61 M CA 0.337 55.703 55.300 0.111 0.000 1.069 61 M CB -1.003 31.655 32.600 0.098 0.000 1.469 61 M HN 0.309 nan 8.290 nan 0.000 0.494 62 S N 0.983 116.777 115.700 0.156 0.000 3.521 62 S HA -0.150 4.289 4.470 -0.050 0.000 0.328 62 S C 0.336 175.023 174.600 0.145 0.000 1.165 62 S CA 0.683 58.953 58.200 0.118 0.000 0.941 62 S CB -1.617 61.647 63.200 0.107 0.000 0.951 62 S HN 0.618 nan 8.310 nan 0.000 0.539 63 S N -0.848 114.952 115.700 0.167 0.000 3.667 63 S HA -0.200 4.240 4.470 -0.050 0.000 0.405 63 S C 0.064 174.765 174.600 0.169 0.000 0.913 63 S CA 0.853 59.117 58.200 0.107 0.000 1.288 63 S CB -1.542 61.739 63.200 0.135 0.000 0.905 63 S HN 0.917 nan 8.310 nan 0.000 0.550 64 W N 0.379 121.692 121.300 0.022 0.000 4.949 64 W HA -0.211 4.416 4.660 -0.054 0.000 0.380 64 W C 0.075 176.393 176.519 -0.335 0.000 1.446 64 W CA 1.380 58.498 57.345 -0.379 0.000 0.869 64 W CB -2.709 26.492 29.460 -0.432 0.000 2.591 64 W HN 1.147 nan 8.180 nan 0.000 1.398 65 W N -1.920 119.517 121.300 0.229 0.000 2.780 65 W HA -0.312 4.322 4.660 -0.043 0.000 0.302 65 W C 1.523 178.077 176.519 0.059 0.000 1.172 65 W CA 1.328 58.756 57.345 0.138 0.000 0.574 65 W CB -2.639 26.924 29.460 0.171 0.000 2.226 65 W HN 0.201 nan 8.180 nan 0.000 1.255 66 T N -3.650 111.014 114.554 0.183 0.000 3.038 66 T HA 0.516 4.836 4.350 -0.050 0.000 0.244 66 T C 1.343 175.997 174.700 -0.078 0.000 1.016 66 T CA 0.811 62.943 62.100 0.053 0.000 1.098 66 T CB -0.100 68.800 68.868 0.054 0.000 0.954 66 T HN 0.479 nan 8.240 nan 0.000 0.469 67 A N 2.614 125.359 122.820 -0.125 0.000 3.077 67 A HA 0.527 4.816 4.320 -0.050 0.000 0.255 67 A C 1.623 179.013 177.584 -0.322 0.000 1.728 67 A CA -0.435 51.437 52.037 -0.275 0.000 1.383 67 A CB -1.468 17.225 19.000 -0.512 0.000 1.097 67 A HN 0.776 nan 8.150 nan 0.000 0.634 68 I N -2.822 117.472 120.570 -0.460 0.000 2.361 68 I HA -0.159 3.981 4.170 -0.050 0.000 0.251 68 I C 1.172 176.875 176.117 -0.691 0.000 1.133 68 I CA 1.294 62.063 61.300 -0.884 0.000 1.413 68 I CB -0.401 36.793 38.000 -1.344 0.000 1.073 68 I HN 0.456 nan 8.210 nan 0.000 0.424 69 H N 1.760 120.714 119.070 -0.194 0.000 2.520 69 H HA 0.447 4.973 4.556 -0.049 0.000 0.284 69 H C 1.186 176.557 175.328 0.072 0.000 1.037 69 H CA 0.370 56.398 56.048 -0.035 0.000 1.168 69 H CB -0.083 29.615 29.762 -0.108 0.000 1.497 69 H HN 0.540 nan 8.280 nan 0.000 0.547 70 G N 0.952 109.766 108.800 0.023 0.000 2.829 70 G HA2 -0.213 3.717 3.960 -0.050 0.000 0.628 70 G HA3 -0.213 3.717 3.960 -0.050 0.000 0.628 70 G C -0.664 174.186 174.900 -0.083 0.000 1.412 70 G CA -0.784 44.313 45.100 -0.005 0.000 0.864 70 G HN 0.504 nan 8.290 nan 0.000 0.544 71 H N 0.111 119.218 119.070 0.062 0.000 2.511 71 H HA 0.453 4.978 4.556 -0.051 0.000 0.346 71 H C 1.423 176.782 175.328 0.052 0.000 1.128 71 H CA 0.663 56.687 56.048 -0.042 0.000 1.342 71 H CB 1.123 30.803 29.762 -0.136 0.000 1.470 71 H HN 2.129 nan 8.280 nan 0.000 0.546 72 G N 1.789 110.670 108.800 0.134 0.000 2.323 72 G HA2 -0.299 3.631 3.960 -0.050 0.000 0.292 72 G HA3 -0.299 3.631 3.960 -0.050 0.000 0.292 72 G C 0.032 175.103 174.900 0.285 0.000 1.040 72 G CA 0.692 45.927 45.100 0.224 0.000 0.942 72 G HN 0.936 nan 8.290 nan 0.000 0.506 73 H N 0.678 119.916 119.070 0.279 0.000 2.929 73 H HA 0.320 4.846 4.556 -0.051 0.000 0.317 73 H C -0.183 175.228 175.328 0.140 0.000 1.031 73 H CA -0.590 55.572 56.048 0.190 0.000 1.466 73 H CB 1.123 30.985 29.762 0.166 0.000 1.482 73 H HN 0.096 nan 8.280 nan 0.000 0.561 74 P HA -0.256 nan 4.420 nan 0.000 0.216 74 P C 0.951 178.343 177.300 0.153 0.000 1.150 74 P CA 1.933 65.072 63.100 0.066 0.000 0.843 74 P CB 0.054 31.732 31.700 -0.038 0.000 0.787 75 A N -0.279 122.738 122.820 0.329 0.000 1.930 75 A HA -0.083 4.207 4.320 -0.050 0.000 0.217 75 A C 2.389 179.983 177.584 0.017 0.000 1.175 75 A CA 1.193 53.322 52.037 0.154 0.000 0.627 75 A CB -1.309 17.758 19.000 0.112 0.000 0.815 75 A HN 0.125 nan 8.150 nan 0.000 0.443 76 L N -0.979 120.242 121.223 -0.003 0.000 2.162 76 L HA -0.072 4.238 4.340 -0.050 0.000 0.205 76 L C 1.922 178.636 176.870 -0.260 0.000 1.086 76 L CA 1.028 55.698 54.840 -0.284 0.000 0.778 76 L CB -0.907 40.809 42.059 -0.572 0.000 0.928 76 L HN 0.214 nan 8.230 nan 0.000 0.446 77 D N 0.383 120.790 120.400 0.011 0.000 2.116 77 D HA -0.259 4.350 4.640 -0.050 0.000 0.193 77 D C 2.172 178.490 176.300 0.030 0.000 0.998 77 D CA 1.390 55.454 54.000 0.108 0.000 0.836 77 D CB -0.041 40.861 40.800 0.171 0.000 0.951 77 D HN 0.293 nan 8.370 nan 0.000 0.449 78 Q N -0.087 119.725 119.800 0.019 0.000 2.079 78 Q HA -0.070 4.240 4.340 -0.050 0.000 0.200 78 Q C 2.038 178.025 176.000 -0.020 0.000 0.974 78 Q CA 1.474 57.281 55.803 0.007 0.000 0.840 78 Q CB -0.089 28.658 28.738 0.015 0.000 0.898 78 Q HN 0.220 nan 8.270 nan 0.000 0.430 79 A N 0.772 123.561 122.820 -0.053 0.000 1.908 79 A HA -0.204 4.085 4.320 -0.050 0.000 0.218 79 A C 2.026 179.567 177.584 -0.071 0.000 1.181 79 A CA 1.339 53.333 52.037 -0.071 0.000 0.627 79 A CB -0.814 18.118 19.000 -0.112 0.000 0.818 79 A HN 0.532 nan 8.150 nan 0.000 0.445 80 L N -0.123 121.049 121.223 -0.085 0.000 2.056 80 L HA -0.157 4.153 4.340 -0.050 0.000 0.207 80 L C 2.996 179.854 176.870 -0.020 0.000 1.078 80 L CA 2.128 56.935 54.840 -0.056 0.000 0.749 80 L CB -0.427 41.608 42.059 -0.040 0.000 0.901 80 L HN 0.659 nan 8.230 nan 0.000 0.433 81 T N -4.933 109.618 114.554 -0.005 0.000 2.821 81 T HA -0.163 4.157 4.350 -0.050 0.000 0.267 81 T C 1.728 176.427 174.700 -0.002 0.000 1.046 81 T CA 1.581 63.684 62.100 0.005 0.000 1.139 81 T CB -0.807 68.071 68.868 0.017 0.000 0.871 81 T HN 0.257 nan 8.240 nan 0.000 0.454 82 T N 1.678 116.227 114.554 -0.008 0.000 2.708 82 T HA -0.129 4.191 4.350 -0.050 0.000 0.266 82 T C 2.069 176.761 174.700 -0.014 0.000 1.037 82 T CA 1.669 63.764 62.100 -0.009 0.000 1.146 82 T CB -0.463 68.398 68.868 -0.011 0.000 0.865 82 T HN 0.383 nan 8.240 nan 0.000 0.435 83 Q N 0.646 120.432 119.800 -0.024 0.000 2.124 83 Q HA -0.005 4.305 4.340 -0.050 0.000 0.202 83 Q C 2.081 178.067 176.000 -0.024 0.000 0.977 83 Q CA 1.094 56.878 55.803 -0.030 0.000 0.850 83 Q CB -0.741 27.969 28.738 -0.046 0.000 0.901 83 Q HN 0.414 nan 8.270 nan 0.000 0.429 84 L N 0.275 121.489 121.223 -0.016 0.000 2.127 84 L HA -0.133 4.177 4.340 -0.050 0.000 0.211 84 L C 2.299 179.167 176.870 -0.003 0.000 1.089 84 L CA 1.841 56.677 54.840 -0.007 0.000 0.757 84 L CB -0.389 41.671 42.059 0.001 0.000 0.899 84 L HN 0.184 nan 8.230 nan 0.000 0.434 85 R N -1.094 119.403 120.500 -0.004 0.000 2.075 85 R HA -0.130 4.180 4.340 -0.050 0.000 0.232 85 R C 2.177 178.475 176.300 -0.003 0.000 1.126 85 R CA 1.908 58.007 56.100 -0.001 0.000 0.963 85 R CB -0.174 30.126 30.300 -0.000 0.000 0.858 85 R HN 0.494 nan 8.270 nan 0.000 0.435 86 V N -1.692 118.217 119.914 -0.008 0.000 2.575 86 V HA 0.234 4.324 4.120 -0.050 0.000 0.242 86 V C 0.821 176.907 176.094 -0.014 0.000 1.045 86 V CA 0.947 63.242 62.300 -0.009 0.000 1.065 86 V CB -0.126 31.692 31.823 -0.009 0.000 0.717 86 V HN 0.334 nan 8.190 nan 0.000 0.467 87 M N 1.171 120.756 119.600 -0.025 0.000 2.319 87 M HA 0.431 4.881 4.480 -0.050 0.000 0.265 87 M C -0.251 176.029 176.300 -0.033 0.000 1.038 87 M CA -0.374 54.908 55.300 -0.030 0.000 0.946 87 M CB 1.508 34.080 32.600 -0.048 0.000 1.984 87 M HN 0.181 nan 8.290 nan 0.000 0.482 88 N N 1.828 120.531 118.700 0.006 0.000 2.142 88 N HA -0.039 4.671 4.740 -0.050 0.000 0.186 88 N C -0.040 175.528 175.510 0.096 0.000 1.023 88 N CA 1.714 54.787 53.050 0.039 0.000 0.852 88 N CB -0.159 38.365 38.487 0.062 0.000 0.998 88 N HN 0.963 nan 8.380 nan 0.000 0.424 89 H N -1.556 117.495 119.070 -0.031 0.000 3.114 89 H HA 0.469 4.995 4.556 -0.050 0.000 0.325 89 H C -1.714 173.608 175.328 -0.010 0.000 1.206 89 H CA -0.652 55.386 56.048 -0.015 0.000 1.316 89 H CB 1.047 30.872 29.762 0.107 0.000 1.981 89 H HN 0.101 nan 8.280 nan 0.000 0.527 90 V N 2.311 121.830 119.914 -0.659 0.000 3.078 90 V HA 0.566 4.655 4.120 -0.050 0.000 0.311 90 V C 0.235 175.969 176.094 -0.599 0.000 1.138 90 V CA -1.114 60.917 62.300 -0.448 0.000 1.007 90 V CB 1.874 33.610 31.823 -0.145 0.000 1.045 90 V HN 0.972 nan 8.190 nan 0.000 0.432 91 M N 1.051 120.506 119.600 -0.243 0.000 2.239 91 M HA 0.415 4.864 4.480 -0.050 0.000 0.348 91 M C 0.066 176.412 176.300 0.077 0.000 1.239 91 M CA 0.152 55.413 55.300 -0.065 0.000 1.114 91 M CB 0.101 32.689 32.600 -0.020 0.000 1.641 91 M HN 0.641 nan 8.290 nan 0.000 0.453 92 F N 1.959 121.875 119.950 -0.057 0.000 2.811 92 F HA 0.314 4.811 4.527 -0.050 0.000 0.301 92 F C 1.337 177.108 175.800 -0.049 0.000 1.151 92 F CA -0.371 57.602 58.000 -0.044 0.000 1.412 92 F CB -0.090 38.888 39.000 -0.035 0.000 1.113 92 F HN 0.806 nan 8.300 nan 0.000 0.579 93 G N -0.314 108.499 108.800 0.021 0.000 2.508 93 G HA2 0.406 4.336 3.960 -0.050 0.000 0.301 93 G HA3 0.406 4.336 3.960 -0.050 0.000 0.301 93 G C 1.069 175.918 174.900 -0.085 0.000 0.965 93 G CA 0.195 45.269 45.100 -0.043 0.000 1.339 93 G HN 0.673 nan 8.290 nan 0.000 0.455 94 G N 1.331 110.043 108.800 -0.146 0.000 2.195 94 G HA2 -0.235 3.695 3.960 -0.050 0.000 0.246 94 G HA3 -0.235 3.695 3.960 -0.050 0.000 0.246 94 G C 0.245 175.055 174.900 -0.150 0.000 0.984 94 G CA 0.340 45.363 45.100 -0.129 0.000 0.633 94 G HN 0.756 nan 8.290 nan 0.000 0.525 95 L N 0.060 121.167 121.223 -0.194 0.000 2.370 95 L HA 0.838 5.147 4.340 -0.050 0.000 0.266 95 L C 0.198 176.896 176.870 -0.287 0.000 1.002 95 L CA -0.651 54.098 54.840 -0.151 0.000 0.818 95 L CB 2.401 44.435 42.059 -0.041 0.000 1.325 95 L HN 0.182 nan 8.230 nan 0.000 0.418 96 T N 0.116 114.565 114.554 -0.175 0.000 2.864 96 T HA 0.673 4.992 4.350 -0.050 0.000 0.289 96 T C -1.474 173.249 174.700 0.039 0.000 1.082 96 T CA -0.387 61.607 62.100 -0.177 0.000 1.009 96 T CB 1.364 70.087 68.868 -0.242 0.000 1.234 96 T HN 0.850 nan 8.240 nan 0.000 0.526 97 H N -0.446 118.716 119.070 0.154 0.000 2.981 97 H HA 0.416 4.942 4.556 -0.051 0.000 0.327 97 H C 0.566 175.944 175.328 0.082 0.000 1.342 97 H CA -0.569 55.533 56.048 0.090 0.000 1.123 97 H CB 1.090 30.892 29.762 0.068 0.000 1.851 97 H HN 0.671 nan 8.280 nan 0.000 0.531 98 E N 0.467 120.807 120.200 0.233 0.000 2.031 98 E HA -0.051 4.269 4.350 -0.050 0.000 0.193 98 E C -0.949 175.745 176.600 0.155 0.000 0.994 98 E CA 1.245 57.730 56.400 0.141 0.000 0.800 98 E CB -0.874 28.883 29.700 0.094 0.000 0.752 98 E HN 0.423 nan 8.360 nan 0.000 0.447 99 P HA -0.181 nan 4.420 nan 0.000 0.215 99 P C 0.997 178.361 177.300 0.107 0.000 1.157 99 P CA 2.173 65.358 63.100 0.141 0.000 0.874 99 P CB -0.110 31.644 31.700 0.091 0.000 0.790 100 A N -0.078 122.818 122.820 0.126 0.000 1.877 100 A HA -0.145 4.145 4.320 -0.050 0.000 0.216 100 A C 2.347 180.016 177.584 0.141 0.000 1.186 100 A CA 2.307 54.320 52.037 -0.040 0.000 0.620 100 A CB -1.661 17.149 19.000 -0.317 0.000 0.822 100 A HN 0.195 nan 8.150 nan 0.000 0.443 101 A N -0.245 122.635 122.820 0.101 0.000 1.877 101 A HA -0.188 4.102 4.320 -0.050 0.000 0.216 101 A C 2.258 179.908 177.584 0.109 0.000 1.186 101 A CA 1.643 53.744 52.037 0.107 0.000 0.620 101 A CB -0.525 18.518 19.000 0.071 0.000 0.822 101 A HN 0.551 nan 8.150 nan 0.000 0.443 102 R N -0.868 119.690 120.500 0.097 0.000 2.091 102 R HA -0.057 4.253 4.340 -0.050 0.000 0.238 102 R C 2.205 178.573 176.300 0.113 0.000 1.136 102 R CA 1.441 57.594 56.100 0.088 0.000 0.959 102 R CB -0.510 29.831 30.300 0.068 0.000 0.856 102 R HN 0.530 nan 8.270 nan 0.000 0.437 103 L N 0.194 121.502 121.223 0.143 0.000 2.056 103 L HA -0.118 4.192 4.340 -0.050 0.000 0.207 103 L C 2.428 179.463 176.870 0.274 0.000 1.078 103 L CA 1.301 56.265 54.840 0.207 0.000 0.749 103 L CB -0.492 41.692 42.059 0.209 0.000 0.901 103 L HN 0.243 nan 8.230 nan 0.000 0.433 104 A N 0.295 123.294 122.820 0.299 0.000 1.908 104 A HA -0.299 3.991 4.320 -0.050 0.000 0.218 104 A C 2.219 179.863 177.584 0.100 0.000 1.181 104 A CA 2.185 54.327 52.037 0.173 0.000 0.627 104 A CB -0.471 18.620 19.000 0.151 0.000 0.818 104 A HN 0.364 nan 8.150 nan 0.000 0.445 105 K N 0.100 120.560 120.400 0.101 0.000 2.026 105 K HA -0.011 4.279 4.320 -0.050 0.000 0.208 105 K C 1.768 178.416 176.600 0.079 0.000 1.048 105 K CA 1.537 57.868 56.287 0.073 0.000 0.929 105 K CB -0.693 31.847 32.500 0.067 0.000 0.713 105 K HN 0.428 nan 8.250 nan 0.000 0.439 106 L N 0.363 121.648 121.223 0.104 0.000 1.990 106 L HA -0.220 4.089 4.340 -0.050 0.000 0.213 106 L C 2.430 179.377 176.870 0.129 0.000 1.072 106 L CA 1.530 56.441 54.840 0.118 0.000 0.755 106 L CB -0.465 41.676 42.059 0.137 0.000 0.889 106 L HN 0.220 nan 8.230 nan 0.000 0.432 107 L N -0.666 120.640 121.223 0.139 0.000 2.046 107 L HA -0.194 4.116 4.340 -0.050 0.000 0.208 107 L C 2.626 179.505 176.870 0.015 0.000 1.077 107 L CA 1.362 56.267 54.840 0.109 0.000 0.747 107 L CB -0.737 41.386 42.059 0.107 0.000 0.896 107 L HN 0.283 nan 8.230 nan 0.000 0.432 108 V N -3.300 116.619 119.914 0.007 0.000 2.427 108 V HA -0.217 3.873 4.120 -0.050 0.000 0.248 108 V C 1.917 178.006 176.094 -0.009 0.000 1.051 108 V CA 1.889 64.174 62.300 -0.024 0.000 1.048 108 V CB -0.657 31.155 31.823 -0.018 0.000 0.666 108 V HN 0.305 nan 8.190 nan 0.000 0.456 109 D N 1.308 121.724 120.400 0.027 0.000 2.144 109 D HA -0.055 4.555 4.640 -0.050 0.000 0.200 109 D C 1.988 178.322 176.300 0.056 0.000 0.978 109 D CA 2.195 56.220 54.000 0.041 0.000 0.833 109 D CB -0.167 40.668 40.800 0.059 0.000 0.961 109 D HN 0.782 nan 8.370 nan 0.000 0.470 110 I N -1.545 119.073 120.570 0.079 0.000 3.783 110 I HA 0.112 4.251 4.170 -0.050 0.000 0.310 110 I C 0.672 176.861 176.117 0.121 0.000 1.274 110 I CA -0.019 61.365 61.300 0.140 0.000 1.294 110 I CB -0.174 37.958 38.000 0.219 0.000 1.051 110 I HN -0.218 nan 8.210 nan 0.000 0.435 111 T N -0.263 114.238 114.554 -0.089 0.000 2.816 111 T HA 0.457 4.777 4.350 -0.050 0.000 0.282 111 T C -2.360 172.247 174.700 -0.156 0.000 0.993 111 T CA -1.543 60.346 62.100 -0.352 0.000 0.994 111 T CB 0.303 68.878 68.868 -0.487 0.000 1.025 111 T HN -0.074 nan 8.240 nan 0.000 0.529 112 P HA 0.261 nan 4.420 nan 0.000 0.266 112 P C -0.368 176.895 177.300 -0.062 0.000 1.193 112 P CA -0.125 62.940 63.100 -0.059 0.000 0.770 112 P CB -0.005 31.675 31.700 -0.033 0.000 0.836 113 A N 2.544 125.345 122.820 -0.030 0.000 2.540 113 A HA 0.409 4.699 4.320 -0.050 0.000 0.239 113 A C 1.540 179.094 177.584 -0.051 0.000 1.061 113 A CA 0.934 52.952 52.037 -0.031 0.000 0.758 113 A CB -1.210 17.782 19.000 -0.014 0.000 0.991 113 A HN 0.869 nan 8.150 nan 0.000 0.502 114 G N 0.970 109.738 108.800 -0.053 0.000 2.259 114 G HA2 -0.180 3.750 3.960 -0.050 0.000 0.217 114 G HA3 -0.180 3.750 3.960 -0.050 0.000 0.217 114 G C 0.128 174.982 174.900 -0.076 0.000 1.001 114 G CA 0.005 45.067 45.100 -0.064 0.000 0.627 114 G HN 0.892 nan 8.290 nan 0.000 0.501 115 L N 2.744 123.914 121.223 -0.088 0.000 2.363 115 L HA 0.436 4.746 4.340 -0.050 0.000 0.286 115 L C 0.573 177.397 176.870 -0.078 0.000 1.106 115 L CA 0.256 55.036 54.840 -0.099 0.000 0.859 115 L CB 0.733 42.712 42.059 -0.132 0.000 1.223 115 L HN 0.394 nan 8.230 nan 0.000 0.446 116 D N -0.121 120.240 120.400 -0.064 0.000 2.540 116 D HA 0.075 4.685 4.640 -0.050 0.000 0.229 116 D C -0.006 176.270 176.300 -0.039 0.000 1.250 116 D CA -0.157 53.816 54.000 -0.045 0.000 0.817 116 D CB 0.718 41.498 40.800 -0.034 0.000 1.060 116 D HN 0.225 nan 8.370 nan 0.000 0.508 117 T N 0.136 114.660 114.554 -0.050 0.000 2.921 117 T HA 0.514 4.834 4.350 -0.050 0.000 0.297 117 T C -0.891 173.771 174.700 -0.063 0.000 1.013 117 T CA -0.531 61.547 62.100 -0.037 0.000 0.990 117 T CB 2.489 71.347 68.868 -0.016 0.000 1.023 117 T HN -0.122 nan 8.240 nan 0.000 0.447 118 V N 3.811 123.673 119.914 -0.087 0.000 2.531 118 V HA 0.586 4.676 4.120 -0.050 0.000 0.301 118 V C -1.163 174.820 176.094 -0.185 0.000 1.034 118 V CA -0.913 61.262 62.300 -0.208 0.000 0.865 118 V CB 1.597 33.188 31.823 -0.387 0.000 0.995 118 V HN 0.856 nan 8.190 nan 0.000 0.424 119 F N 5.580 125.359 119.950 -0.285 0.000 2.403 119 F HA 0.677 5.174 4.527 -0.051 0.000 0.355 119 F C -0.548 175.132 175.800 -0.199 0.000 1.119 119 F CA -1.235 56.669 58.000 -0.161 0.000 1.007 119 F CB 0.868 39.834 39.000 -0.056 0.000 1.194 119 F HN 0.369 nan 8.300 nan 0.000 0.443 120 F N 4.023 123.911 119.950 -0.103 0.000 2.399 120 F HA 0.490 4.986 4.527 -0.051 0.000 0.342 120 F C 0.736 176.574 175.800 0.064 0.000 1.106 120 F CA 0.143 58.122 58.000 -0.034 0.000 1.196 120 F CB 1.298 40.184 39.000 -0.189 0.000 1.163 120 F HN 0.568 nan 8.300 nan 0.000 0.547 121 S N 0.123 116.040 115.700 0.363 0.000 2.840 121 S HA 0.388 4.828 4.470 -0.050 0.000 0.307 121 S C -0.352 174.365 174.600 0.195 0.000 1.180 121 S CA -0.891 57.478 58.200 0.281 0.000 0.846 121 S CB 1.788 65.170 63.200 0.303 0.000 1.233 121 S HN 0.527 nan 8.310 nan 0.000 0.548 122 D N 0.892 121.383 120.400 0.151 0.000 2.360 122 D HA 0.238 4.848 4.640 -0.050 0.000 0.210 122 D C 0.447 176.791 176.300 0.073 0.000 1.047 122 D CA 0.748 54.806 54.000 0.096 0.000 0.854 122 D CB 0.580 41.430 40.800 0.083 0.000 0.936 122 D HN 0.641 nan 8.370 nan 0.000 0.514 123 S N -1.932 113.819 115.700 0.085 0.000 2.570 123 S HA 0.489 4.929 4.470 -0.050 0.000 0.270 123 S C 1.102 175.743 174.600 0.069 0.000 1.149 123 S CA -0.382 57.854 58.200 0.060 0.000 0.837 123 S CB 1.570 64.789 63.200 0.030 0.000 1.124 123 S HN -0.057 nan 8.310 nan 0.000 0.465 124 G N 1.576 110.411 108.800 0.058 0.000 2.476 124 G HA2 -0.160 3.770 3.960 -0.050 0.000 0.218 124 G HA3 -0.160 3.770 3.960 -0.050 0.000 0.218 124 G C 1.298 176.217 174.900 0.031 0.000 1.164 124 G CA 1.283 46.421 45.100 0.063 0.000 0.768 124 G HN 0.878 nan 8.290 nan 0.000 0.560 125 S N 0.127 115.824 115.700 -0.005 0.000 2.382 125 S HA -0.108 4.332 4.470 -0.050 0.000 0.228 125 S C 2.415 177.008 174.600 -0.012 0.000 1.027 125 S CA 1.208 59.386 58.200 -0.037 0.000 0.991 125 S CB -0.240 62.921 63.200 -0.065 0.000 0.823 125 S HN 0.196 nan 8.310 nan 0.000 0.469 126 V N 2.498 122.422 119.914 0.017 0.000 2.453 126 V HA -0.134 3.956 4.120 -0.050 0.000 0.247 126 V C 2.754 178.867 176.094 0.031 0.000 1.048 126 V CA 1.727 64.046 62.300 0.032 0.000 1.049 126 V CB -1.077 30.787 31.823 0.068 0.000 0.672 126 V HN 0.710 nan 8.190 nan 0.000 0.457 127 S N 0.110 115.844 115.700 0.056 0.000 2.400 127 S HA -0.176 4.264 4.470 -0.050 0.000 0.232 127 S C 1.928 176.527 174.600 -0.002 0.000 1.025 127 S CA 1.765 59.996 58.200 0.051 0.000 0.993 127 S CB -0.586 62.669 63.200 0.091 0.000 0.808 127 S HN 0.325 nan 8.310 nan 0.000 0.478 128 V N 2.373 122.284 119.914 -0.004 0.000 2.358 128 V HA -0.101 3.988 4.120 -0.050 0.000 0.246 128 V C 2.911 178.966 176.094 -0.064 0.000 1.047 128 V CA 1.917 64.198 62.300 -0.031 0.000 1.035 128 V CB -0.726 31.084 31.823 -0.022 0.000 0.658 128 V HN 0.527 nan 8.190 nan 0.000 0.452 129 E N 0.076 120.242 120.200 -0.056 0.000 2.085 129 E HA -0.181 4.139 4.350 -0.050 0.000 0.194 129 E C 2.314 178.851 176.600 -0.104 0.000 0.994 129 E CA 1.484 57.844 56.400 -0.066 0.000 0.801 129 E CB -0.301 29.373 29.700 -0.042 0.000 0.743 129 E HN 0.486 nan 8.360 nan 0.000 0.453 130 V N 1.551 121.383 119.914 -0.136 0.000 2.358 130 V HA -0.236 3.854 4.120 -0.050 0.000 0.246 130 V C 2.443 178.406 176.094 -0.220 0.000 1.047 130 V CA 1.723 63.868 62.300 -0.259 0.000 1.035 130 V CB -0.730 30.867 31.823 -0.378 0.000 0.658 130 V HN 0.259 nan 8.190 nan 0.000 0.452 131 A N -0.022 122.709 122.820 -0.149 0.000 1.933 131 A HA -0.107 4.183 4.320 -0.050 0.000 0.218 131 A C 2.412 179.925 177.584 -0.118 0.000 1.175 131 A CA 2.046 54.006 52.037 -0.128 0.000 0.628 131 A CB -0.704 18.239 19.000 -0.096 0.000 0.814 131 A HN 0.560 nan 8.150 nan 0.000 0.444 132 A N -0.088 122.669 122.820 -0.106 0.000 1.898 132 A HA -0.134 4.156 4.320 -0.050 0.000 0.216 132 A C 2.098 179.642 177.584 -0.067 0.000 1.181 132 A CA 1.725 53.712 52.037 -0.083 0.000 0.620 132 A CB -0.405 18.547 19.000 -0.080 0.000 0.819 132 A HN 0.548 nan 8.150 nan 0.000 0.442 133 K N -0.782 119.564 120.400 -0.090 0.000 2.057 133 K HA -0.082 4.208 4.320 -0.050 0.000 0.207 133 K C 2.091 178.644 176.600 -0.078 0.000 1.049 133 K CA 1.640 57.877 56.287 -0.083 0.000 0.931 133 K CB -0.323 32.107 32.500 -0.117 0.000 0.714 133 K HN 0.478 nan 8.250 nan 0.000 0.440 134 M N 0.513 120.044 119.600 -0.115 0.000 2.082 134 M HA -0.223 4.227 4.480 -0.050 0.000 0.258 134 M C 2.466 178.735 176.300 -0.053 0.000 1.069 134 M CA 1.848 57.090 55.300 -0.098 0.000 1.102 134 M CB -0.419 32.100 32.600 -0.135 0.000 1.336 134 M HN 0.265 nan 8.290 nan 0.000 0.404 135 A N -0.007 122.782 122.820 -0.051 0.000 1.873 135 A HA -0.119 4.171 4.320 -0.050 0.000 0.215 135 A C 1.955 179.626 177.584 0.145 0.000 1.186 135 A CA 1.377 53.413 52.037 -0.001 0.000 0.616 135 A CB -0.680 18.327 19.000 0.012 0.000 0.823 135 A HN 0.346 nan 8.150 nan 0.000 0.442 136 L N -0.368 120.921 121.223 0.110 0.000 2.056 136 L HA -0.161 4.149 4.340 -0.050 0.000 0.207 136 L C 2.670 179.610 176.870 0.117 0.000 1.078 136 L CA 1.619 56.543 54.840 0.140 0.000 0.749 136 L CB -0.632 41.463 42.059 0.060 0.000 0.901 136 L HN 0.343 nan 8.230 nan 0.000 0.433 137 Q N -1.824 118.006 119.800 0.049 0.000 2.172 137 Q HA -0.206 4.104 4.340 -0.050 0.000 0.200 137 Q C 2.172 178.168 176.000 -0.007 0.000 0.964 137 Q CA 1.218 57.029 55.803 0.013 0.000 0.855 137 Q CB -0.517 28.210 28.738 -0.017 0.000 0.918 137 Q HN 0.546 nan 8.270 nan 0.000 0.444 138 Y N -0.243 119.966 120.300 -0.151 0.000 2.081 138 Y HA -0.291 4.229 4.550 -0.050 0.000 0.280 138 Y C 1.787 177.512 175.900 -0.291 0.000 1.163 138 Y CA 1.953 59.875 58.100 -0.297 0.000 1.135 138 Y CB -0.522 37.644 38.460 -0.489 0.000 0.970 138 Y HN 0.077 nan 8.280 nan 0.000 0.498 139 W N 0.261 121.583 121.300 0.036 0.000 2.436 139 W HA -0.039 4.590 4.660 -0.051 0.000 0.284 139 W C 2.775 179.233 176.519 -0.101 0.000 1.225 139 W CA 1.094 58.409 57.345 -0.049 0.000 1.271 139 W CB -0.302 29.198 29.460 0.066 0.000 1.114 139 W HN -0.061 nan 8.180 nan 0.000 0.559 140 R N 0.761 121.341 120.500 0.133 0.000 2.091 140 R HA -0.120 4.190 4.340 -0.050 0.000 0.238 140 R C 2.226 178.508 176.300 -0.030 0.000 1.136 140 R CA 1.925 58.053 56.100 0.047 0.000 0.959 140 R CB -0.990 29.327 30.300 0.028 0.000 0.856 140 R HN 0.180 nan 8.270 nan 0.000 0.437 141 G N -0.148 108.587 108.800 -0.110 0.000 2.708 141 G HA2 -0.141 3.789 3.960 -0.050 0.000 0.210 141 G HA3 -0.141 3.789 3.960 -0.050 0.000 0.210 141 G C 1.130 175.910 174.900 -0.201 0.000 1.141 141 G CA -0.045 44.953 45.100 -0.170 0.000 0.788 141 G HN 0.220 nan 8.290 nan 0.000 0.531 142 R N -0.453 119.944 120.500 -0.172 0.000 2.397 142 R HA 0.186 4.496 4.340 -0.050 0.000 0.241 142 R C 1.481 177.782 176.300 0.000 0.000 0.914 142 R CA 0.519 56.555 56.100 -0.106 0.000 1.071 142 R CB 0.537 30.789 30.300 -0.079 0.000 1.116 142 R HN 0.330 nan 8.270 nan 0.000 0.524 143 G N 1.530 110.332 108.800 0.003 0.000 2.137 143 G HA2 -0.235 3.694 3.960 -0.050 0.000 0.237 143 G HA3 -0.235 3.694 3.960 -0.050 0.000 0.237 143 G C 0.102 175.025 174.900 0.037 0.000 1.002 143 G CA -0.133 44.974 45.100 0.013 0.000 0.702 143 G HN 0.270 nan 8.290 nan 0.000 0.515 144 L N 0.572 121.844 121.223 0.081 0.000 2.839 144 L HA 0.303 4.612 4.340 -0.050 0.000 0.259 144 L C -1.068 175.848 176.870 0.077 0.000 1.369 144 L CA -1.524 53.359 54.840 0.073 0.000 0.845 144 L CB 1.389 43.511 42.059 0.104 0.000 1.181 144 L HN -0.027 nan 8.230 nan 0.000 0.529 145 P HA -0.048 nan 4.420 nan 0.000 0.233 145 P C 1.510 178.820 177.300 0.016 0.000 1.167 145 P CA 0.651 63.779 63.100 0.047 0.000 0.770 145 P CB 0.351 32.067 31.700 0.026 0.000 0.837 146 G N 0.767 109.560 108.800 -0.012 0.000 2.470 146 G HA2 -0.189 3.740 3.960 -0.050 0.000 0.220 146 G HA3 -0.189 3.740 3.960 -0.050 0.000 0.220 146 G C 0.857 175.718 174.900 -0.064 0.000 1.121 146 G CA 0.121 45.200 45.100 -0.035 0.000 0.766 146 G HN 0.298 nan 8.290 nan 0.000 0.553 147 K N 0.809 121.151 120.400 -0.096 0.000 2.110 147 K HA 0.223 4.513 4.320 -0.050 0.000 0.260 147 K C 1.005 177.569 176.600 -0.059 0.000 1.126 147 K CA -0.082 56.093 56.287 -0.185 0.000 1.005 147 K CB 0.207 32.406 32.500 -0.501 0.000 1.336 147 K HN 0.473 nan 8.250 nan 0.000 0.369 148 R N 0.332 120.804 120.500 -0.046 0.000 2.555 148 R HA 0.169 4.479 4.340 -0.050 0.000 0.312 148 R C 0.185 176.465 176.300 -0.034 0.000 0.938 148 R CA -0.593 55.502 56.100 -0.009 0.000 1.112 148 R CB 0.432 30.729 30.300 -0.006 0.000 1.535 148 R HN 0.077 nan 8.270 nan 0.000 0.525 149 R N 1.166 121.627 120.500 -0.065 0.000 2.549 149 R HA 0.482 4.792 4.340 -0.050 0.000 0.267 149 R C -0.459 175.772 176.300 -0.116 0.000 1.045 149 R CA -0.627 55.417 56.100 -0.093 0.000 1.115 149 R CB 1.201 31.432 30.300 -0.114 0.000 1.121 149 R HN -0.013 nan 8.270 nan 0.000 0.543 150 L N 1.542 122.670 121.223 -0.157 0.000 2.334 150 L HA 0.574 4.884 4.340 -0.050 0.000 0.273 150 L C -0.177 176.525 176.870 -0.279 0.000 1.013 150 L CA -0.684 54.043 54.840 -0.189 0.000 0.816 150 L CB 1.871 43.816 42.059 -0.191 0.000 1.278 150 L HN 0.416 nan 8.230 nan 0.000 0.431 151 M N 1.720 121.158 119.600 -0.270 0.000 2.465 151 M HA 0.578 5.027 4.480 -0.050 0.000 0.316 151 M C -0.870 175.258 176.300 -0.286 0.000 1.121 151 M CA 0.030 55.130 55.300 -0.334 0.000 0.934 151 M CB 2.269 34.691 32.600 -0.296 0.000 1.692 151 M HN 0.673 nan 8.290 nan 0.000 0.444 152 T N 2.468 116.825 114.554 -0.328 0.000 2.754 152 T HA 0.732 5.051 4.350 -0.050 0.000 0.296 152 T C -2.078 172.669 174.700 0.078 0.000 1.205 152 T CA -0.502 61.492 62.100 -0.176 0.000 1.009 152 T CB 0.826 69.605 68.868 -0.149 0.000 1.368 152 T HN 0.721 nan 8.240 nan 0.000 0.509 153 W N 1.383 122.853 121.300 0.284 0.000 2.436 153 W HA 0.816 5.454 4.660 -0.038 0.000 0.347 153 W C 0.088 176.792 176.519 0.308 0.000 1.136 153 W CA -1.575 55.963 57.345 0.321 0.000 1.286 153 W CB -0.388 29.274 29.460 0.336 0.000 1.253 153 W HN 0.671 nan 8.180 nan 0.000 0.617 154 R N 0.468 121.295 120.500 0.546 0.000 2.827 154 R HA 0.383 4.693 4.340 -0.050 0.000 0.269 154 R C 1.224 177.662 176.300 0.230 0.000 1.048 154 R CA 1.157 57.448 56.100 0.319 0.000 1.173 154 R CB -0.108 30.265 30.300 0.121 0.000 1.070 154 R HN 1.095 nan 8.270 nan 0.000 0.498 155 G N -0.157 108.731 108.800 0.147 0.000 2.157 155 G HA2 -0.214 3.716 3.960 -0.050 0.000 0.248 155 G HA3 -0.214 3.716 3.960 -0.050 0.000 0.248 155 G C 0.334 175.342 174.900 0.180 0.000 0.979 155 G CA -0.155 45.010 45.100 0.108 0.000 0.650 155 G HN 0.886 nan 8.290 nan 0.000 0.529 156 G N -1.062 107.905 108.800 0.278 0.000 2.502 156 G HA2 0.664 4.594 3.960 -0.050 0.000 0.305 156 G HA3 0.664 4.594 3.960 -0.050 0.000 0.305 156 G C -1.019 173.996 174.900 0.192 0.000 1.190 156 G CA -0.551 44.706 45.100 0.262 0.000 0.933 156 G HN 1.071 nan 8.290 nan 0.000 0.503 157 Y N -0.367 119.814 120.300 -0.199 0.000 2.441 157 Y HA 0.476 4.996 4.550 -0.050 0.000 0.334 157 Y C -0.106 175.520 175.900 -0.457 0.000 1.061 157 Y CA -0.946 57.048 58.100 -0.175 0.000 1.032 157 Y CB 1.655 40.075 38.460 -0.068 0.000 1.266 157 Y HN 0.606 nan 8.280 nan 0.000 0.441 158 H N 3.851 122.522 119.070 -0.665 0.000 3.182 158 H HA 0.474 5.001 4.556 -0.049 0.000 0.254 158 H C 0.483 175.443 175.328 -0.612 0.000 1.197 158 H CA 0.305 56.083 56.048 -0.451 0.000 1.061 158 H CB 1.148 30.808 29.762 -0.171 0.000 1.722 158 H HN 0.914 nan 8.280 nan 0.000 0.662 159 G N 0.648 108.752 108.800 -1.160 0.000 2.343 159 G HA2 -0.161 3.769 3.960 -0.050 0.000 0.465 159 G HA3 -0.161 3.769 3.960 -0.050 0.000 0.465 159 G C -0.789 173.895 174.900 -0.359 0.000 1.282 159 G CA -0.336 44.401 45.100 -0.607 0.000 0.996 159 G HN 0.077 nan 8.290 nan 0.000 0.521 160 D N 0.011 120.307 120.400 -0.173 0.000 2.441 160 D HA 0.195 4.805 4.640 -0.050 0.000 0.210 160 D C 1.776 177.924 176.300 -0.253 0.000 1.102 160 D CA 1.199 55.101 54.000 -0.164 0.000 0.840 160 D CB 0.511 41.250 40.800 -0.102 0.000 0.990 160 D HN 0.782 nan 8.370 nan 0.000 0.505 161 T N -2.278 112.166 114.554 -0.184 0.000 2.813 161 T HA 0.126 4.446 4.350 -0.050 0.000 0.297 161 T C 1.422 176.007 174.700 -0.192 0.000 1.036 161 T CA -0.488 61.530 62.100 -0.137 0.000 1.044 161 T CB 0.563 69.410 68.868 -0.035 0.000 0.993 161 T HN -0.179 nan 8.240 nan 0.000 0.535 162 F N 0.063 119.906 119.950 -0.178 0.000 2.126 162 F HA -0.042 4.456 4.527 -0.049 0.000 0.299 162 F C 2.357 178.068 175.800 -0.148 0.000 1.096 162 F CA 1.036 58.919 58.000 -0.196 0.000 1.255 162 F CB -0.258 38.648 39.000 -0.158 0.000 0.997 162 F HN 0.371 nan 8.300 nan 0.000 0.479 163 L N 0.023 121.280 121.223 0.056 0.000 2.056 163 L HA -0.085 4.224 4.340 -0.050 0.000 0.207 163 L C 2.388 179.232 176.870 -0.043 0.000 1.078 163 L CA 1.974 56.813 54.840 -0.002 0.000 0.749 163 L CB -1.361 40.691 42.059 -0.012 0.000 0.901 163 L HN 0.157 nan 8.230 nan 0.000 0.433 164 A N -0.157 122.622 122.820 -0.067 0.000 1.933 164 A HA -0.230 4.060 4.320 -0.050 0.000 0.218 164 A C 2.219 179.764 177.584 -0.065 0.000 1.175 164 A CA 1.734 53.723 52.037 -0.080 0.000 0.628 164 A CB -0.434 18.494 19.000 -0.120 0.000 0.814 164 A HN 0.506 nan 8.150 nan 0.000 0.444 165 M N 0.555 120.082 119.600 -0.122 0.000 2.202 165 M HA -0.159 4.291 4.480 -0.050 0.000 0.262 165 M C 2.347 178.678 176.300 0.052 0.000 1.063 165 M CA 1.723 56.969 55.300 -0.091 0.000 1.097 165 M CB -0.472 31.924 32.600 -0.341 0.000 1.382 165 M HN 0.661 nan 8.290 nan 0.000 0.413 166 S N 0.906 116.602 115.700 -0.007 0.000 2.474 166 S HA -0.074 4.366 4.470 -0.050 0.000 0.235 166 S C 1.434 176.211 174.600 0.296 0.000 0.997 166 S CA 0.807 59.033 58.200 0.043 0.000 0.949 166 S CB -0.781 62.417 63.200 -0.004 0.000 0.766 166 S HN 0.720 nan 8.310 nan 0.000 0.517 167 I N -1.646 119.061 120.570 0.228 0.000 4.082 167 I HA 0.453 4.593 4.170 -0.050 0.000 0.337 167 I C 0.222 176.626 176.117 0.479 0.000 1.352 167 I CA -0.927 60.506 61.300 0.222 0.000 1.097 167 I CB -0.439 37.510 38.000 -0.085 0.000 1.048 167 I HN 0.104 nan 8.210 nan 0.000 0.393 168 C N 1.871 121.444 119.300 0.454 0.000 2.656 168 C HA 0.123 4.553 4.460 -0.050 0.000 0.391 168 C C 0.869 176.021 174.990 0.270 0.000 1.300 168 C CA -0.051 59.188 59.018 0.368 0.000 2.302 168 C CB 0.163 28.066 27.740 0.272 0.000 2.655 168 C HN 0.494 nan 8.230 nan 0.000 0.656 169 D N 1.783 122.271 120.400 0.146 0.000 2.531 169 D HA 0.031 4.641 4.640 -0.050 0.000 0.239 169 D C -1.544 174.477 176.300 -0.464 0.000 1.144 169 D CA -0.502 53.442 54.000 -0.094 0.000 0.869 169 D CB 0.702 41.499 40.800 -0.006 0.000 1.160 169 D HN 0.281 nan 8.370 nan 0.000 0.484 170 P HA -0.112 nan 4.420 nan 0.000 0.220 170 P C 0.236 177.241 177.300 -0.493 0.000 1.148 170 P CA 1.367 63.746 63.100 -1.202 0.000 0.803 170 P CB 0.139 31.155 31.700 -1.140 0.000 0.782 171 H N -1.983 116.940 119.070 -0.245 0.000 2.418 171 H HA 0.145 4.670 4.556 -0.052 0.000 0.300 171 H C 2.249 177.560 175.328 -0.029 0.000 1.041 171 H CA 0.685 56.675 56.048 -0.098 0.000 1.364 171 H CB -0.629 29.088 29.762 -0.075 0.000 1.439 171 H HN 0.083 nan 8.280 nan 0.000 0.540 172 G N 0.098 108.950 108.800 0.087 0.000 2.448 172 G HA2 -0.200 3.730 3.960 -0.050 0.000 0.219 172 G HA3 -0.200 3.730 3.960 -0.050 0.000 0.219 172 G C 1.692 176.670 174.900 0.129 0.000 1.127 172 G CA 0.808 45.971 45.100 0.105 0.000 0.766 172 G HN 0.474 nan 8.290 nan 0.000 0.552 173 G N -0.490 108.368 108.800 0.097 0.000 3.042 173 G HA2 0.244 4.174 3.960 -0.050 0.000 0.212 173 G HA3 0.244 4.174 3.960 -0.050 0.000 0.212 173 G C 0.912 176.010 174.900 0.331 0.000 1.166 173 G CA 0.091 45.314 45.100 0.204 0.000 0.767 173 G HN 0.231 nan 8.290 nan 0.000 0.546 174 M N 0.540 120.288 119.600 0.247 0.000 2.249 174 M HA -0.215 4.235 4.480 -0.050 0.000 0.198 174 M C 0.688 177.224 176.300 0.394 0.000 0.394 174 M CA 0.638 56.096 55.300 0.265 0.000 0.427 174 M CB -2.895 29.838 32.600 0.221 0.000 1.307 174 M HN 0.558 nan 8.290 nan 0.000 0.924 175 H N -0.125 119.061 119.070 0.194 0.000 2.422 175 H HA -0.129 4.398 4.556 -0.048 0.000 0.298 175 H C 2.026 177.456 175.328 0.170 0.000 1.098 175 H CA 1.650 57.817 56.048 0.198 0.000 1.315 175 H CB 0.293 30.110 29.762 0.090 0.000 1.382 175 H HN 0.819 nan 8.280 nan 0.000 0.523 176 S N 1.464 117.306 115.700 0.238 0.000 2.383 176 S HA -0.163 4.277 4.470 -0.050 0.000 0.229 176 S C 1.815 176.455 174.600 0.067 0.000 1.030 176 S CA 1.293 59.572 58.200 0.132 0.000 1.002 176 S CB -0.611 62.644 63.200 0.091 0.000 0.829 176 S HN 0.485 nan 8.310 nan 0.000 0.467 177 L N -4.284 116.946 121.223 0.012 0.000 2.848 177 L HA 0.614 4.924 4.340 -0.050 0.000 0.240 177 L C 0.691 177.364 176.870 -0.328 0.000 1.232 177 L CA -0.435 54.306 54.840 -0.164 0.000 1.031 177 L CB -0.712 41.192 42.059 -0.259 0.000 1.338 177 L HN 0.203 nan 8.230 nan 0.000 0.509 178 W N -1.446 119.893 121.300 0.064 0.000 1.807 178 W HA 0.259 4.888 4.660 -0.052 0.000 0.251 178 W C 1.004 177.550 176.519 0.044 0.000 0.848 178 W CA -0.421 56.954 57.345 0.050 0.000 1.157 178 W CB 0.980 30.438 29.460 -0.003 0.000 0.992 178 W HN -0.061 nan 8.180 nan 0.000 0.506 179 T N 0.001 114.699 114.554 0.241 0.000 2.881 179 T HA 0.174 4.494 4.350 -0.050 0.000 0.278 179 T C 0.569 175.347 174.700 0.129 0.000 0.982 179 T CA 0.350 62.544 62.100 0.158 0.000 0.989 179 T CB 0.581 69.526 68.868 0.129 0.000 1.058 179 T HN 0.128 nan 8.240 nan 0.000 0.529 180 D N 0.011 120.472 120.400 0.101 0.000 2.792 180 D HA -0.137 4.473 4.640 -0.050 0.000 0.192 180 D C 0.815 177.171 176.300 0.094 0.000 1.007 180 D CA 1.030 55.079 54.000 0.081 0.000 1.020 180 D CB -1.020 39.820 40.800 0.067 0.000 1.089 180 D HN 0.339 nan 8.370 nan 0.000 0.438 181 V N 0.096 120.098 119.914 0.148 0.000 3.562 181 V HA 0.209 4.299 4.120 -0.050 0.000 0.270 181 V C 0.885 177.099 176.094 0.199 0.000 1.418 181 V CA 0.165 62.575 62.300 0.184 0.000 1.033 181 V CB 0.814 32.835 31.823 0.331 0.000 0.820 181 V HN 0.055 nan 8.190 nan 0.000 0.441 182 L N 1.059 122.374 121.223 0.155 0.000 2.322 182 L HA 0.716 5.026 4.340 -0.050 0.000 0.279 182 L C 0.621 177.516 176.870 0.043 0.000 1.036 182 L CA -0.556 54.332 54.840 0.081 0.000 0.807 182 L CB 1.444 43.465 42.059 -0.063 0.000 1.226 182 L HN 0.177 nan 8.230 nan 0.000 0.433 183 A N 2.470 125.307 122.820 0.029 0.000 2.565 183 A HA 0.403 4.693 4.320 -0.050 0.000 0.237 183 A C 0.408 178.007 177.584 0.025 0.000 1.053 183 A CA 0.001 52.047 52.037 0.015 0.000 0.755 183 A CB 0.122 19.120 19.000 -0.002 0.000 0.980 183 A HN 0.794 nan 8.150 nan 0.000 0.506 184 A N 3.632 126.469 122.820 0.029 0.000 2.310 184 A HA 0.532 4.822 4.320 -0.050 0.000 0.300 184 A C 0.343 177.934 177.584 0.013 0.000 1.269 184 A CA -0.456 51.614 52.037 0.056 0.000 0.909 184 A CB 0.058 19.088 19.000 0.051 0.000 1.144 184 A HN 0.832 nan 8.150 nan 0.000 0.540 185 Q N 1.034 120.853 119.800 0.031 0.000 2.333 185 Q HA 0.557 4.867 4.340 -0.050 0.000 0.266 185 Q C -0.738 175.110 176.000 -0.252 0.000 1.053 185 Q CA -0.834 54.870 55.803 -0.166 0.000 0.890 185 Q CB 1.675 30.234 28.738 -0.300 0.000 1.337 185 Q HN 0.411 nan 8.270 nan 0.000 0.474 186 V N 1.557 121.196 119.914 -0.458 0.000 2.370 186 V HA 0.376 4.466 4.120 -0.050 0.000 0.279 186 V C -0.825 174.948 176.094 -0.535 0.000 1.029 186 V CA -0.360 61.670 62.300 -0.450 0.000 0.870 186 V CB 0.215 31.688 31.823 -0.583 0.000 0.984 186 V HN 0.474 nan 8.190 nan 0.000 0.451 187 F N 3.199 123.063 119.950 -0.145 0.000 2.449 187 F HA 0.734 5.230 4.527 -0.051 0.000 0.342 187 F C 0.653 176.403 175.800 -0.084 0.000 1.127 187 F CA -0.442 57.516 58.000 -0.070 0.000 0.975 187 F CB 1.570 40.553 39.000 -0.028 0.000 1.146 187 F HN 0.572 nan 8.300 nan 0.000 0.444 188 A N 4.819 127.687 122.820 0.080 0.000 2.287 188 A HA 0.717 5.007 4.320 -0.050 0.000 0.273 188 A C -2.455 175.293 177.584 0.273 0.000 1.091 188 A CA -1.606 50.477 52.037 0.077 0.000 0.817 188 A CB -0.001 19.011 19.000 0.019 0.000 1.069 188 A HN 0.444 nan 8.150 nan 0.000 0.492 189 P HA 0.161 nan 4.420 nan 0.000 0.271 189 P C -0.528 176.977 177.300 0.341 0.000 1.233 189 P CA -0.291 62.968 63.100 0.265 0.000 0.789 189 P CB 0.254 32.096 31.700 0.238 0.000 0.951 190 Q N 1.070 120.959 119.800 0.148 0.000 2.308 190 Q HA 0.017 4.327 4.340 -0.050 0.000 0.313 190 Q C -0.692 175.158 176.000 -0.250 0.000 1.075 190 Q CA 0.505 56.291 55.803 -0.029 0.000 0.995 190 Q CB -0.372 28.326 28.738 -0.066 0.000 1.107 190 Q HN 0.209 nan 8.270 nan 0.000 0.380 191 V N 7.918 127.427 119.914 -0.674 0.000 2.521 191 V HA 0.336 4.426 4.120 -0.050 0.000 0.286 191 V C -2.128 173.434 176.094 -0.887 0.000 1.034 191 V CA -1.733 59.749 62.300 -1.364 0.000 1.045 191 V CB 0.713 31.291 31.823 -2.075 0.000 0.974 191 V HN 0.914 nan 8.190 nan 0.000 0.480 192 P HA 0.242 nan 4.420 nan 0.000 0.274 192 P C 0.390 177.616 177.300 -0.123 0.000 1.246 192 P CA -0.299 62.614 63.100 -0.312 0.000 0.795 192 P CB 0.543 32.139 31.700 -0.173 0.000 1.006 193 R N 0.684 121.162 120.500 -0.037 0.000 2.061 193 R HA -0.061 4.248 4.340 -0.050 0.000 0.230 193 R C 0.006 176.385 176.300 0.131 0.000 1.140 193 R CA 1.396 57.523 56.100 0.045 0.000 0.940 193 R CB -0.337 29.963 30.300 -0.000 0.000 0.839 193 R HN 0.495 nan 8.270 nan 0.000 0.429 194 D N -0.158 120.302 120.400 0.099 0.000 2.304 194 D HA -0.028 4.582 4.640 -0.050 0.000 0.247 194 D C -0.892 175.505 176.300 0.161 0.000 1.089 194 D CA -0.138 53.927 54.000 0.108 0.000 0.910 194 D CB 0.579 41.415 40.800 0.061 0.000 1.199 194 D HN 0.119 nan 8.370 nan 0.000 0.426 195 Y N 1.549 121.805 120.300 -0.072 0.000 2.569 195 Y HA 0.125 4.643 4.550 -0.054 0.000 0.332 195 Y C -0.244 175.622 175.900 -0.057 0.000 1.120 195 Y CA 0.162 58.099 58.100 -0.271 0.000 1.416 195 Y CB 0.440 38.680 38.460 -0.366 0.000 1.210 195 Y HN 0.107 nan 8.280 nan 0.000 0.528 196 D N 9.119 129.218 120.400 -0.501 0.000 2.473 196 D HA 0.276 4.886 4.640 -0.050 0.000 0.253 196 D C -2.110 173.931 176.300 -0.431 0.000 1.233 196 D CA -2.406 51.406 54.000 -0.313 0.000 0.908 196 D CB 1.881 42.680 40.800 -0.001 0.000 1.170 196 D HN 0.290 nan 8.370 nan 0.000 0.558 197 P HA -0.155 nan 4.420 nan 0.000 0.218 197 P C 1.117 178.413 177.300 -0.007 0.000 1.146 197 P CA 0.844 63.792 63.100 -0.254 0.000 0.813 197 P CB 0.256 31.916 31.700 -0.066 0.000 0.778 198 A N -0.895 121.933 122.820 0.014 0.000 1.972 198 A HA -0.214 4.076 4.320 -0.050 0.000 0.219 198 A C 2.317 179.966 177.584 0.109 0.000 1.169 198 A CA 1.285 53.359 52.037 0.062 0.000 0.635 198 A CB -1.768 17.263 19.000 0.052 0.000 0.810 198 A HN 0.172 nan 8.150 nan 0.000 0.446 199 Y N 1.303 121.639 120.300 0.060 0.000 2.145 199 Y HA -0.200 4.324 4.550 -0.043 0.000 0.286 199 Y C 2.644 178.651 175.900 0.179 0.000 1.145 199 Y CA 2.011 60.171 58.100 0.100 0.000 1.148 199 Y CB -0.304 38.188 38.460 0.054 0.000 0.981 199 Y HN 0.302 nan 8.280 nan 0.000 0.507 200 S N 0.375 116.267 115.700 0.319 0.000 2.402 200 S HA -0.138 4.301 4.470 -0.050 0.000 0.229 200 S C 2.185 176.893 174.600 0.181 0.000 1.021 200 S CA 0.851 59.221 58.200 0.284 0.000 0.974 200 S CB -0.642 62.787 63.200 0.382 0.000 0.800 200 S HN 0.628 nan 8.310 nan 0.000 0.484 201 A N 1.549 124.446 122.820 0.128 0.000 1.929 201 A HA 0.261 4.551 4.320 -0.050 0.000 0.216 201 A C 2.330 179.946 177.584 0.053 0.000 1.176 201 A CA 1.398 53.494 52.037 0.099 0.000 0.628 201 A CB -0.921 18.126 19.000 0.080 0.000 0.816 201 A HN 0.501 nan 8.150 nan 0.000 0.444 202 A N -1.445 121.375 122.820 0.000 0.000 1.969 202 A HA 0.023 4.313 4.320 -0.050 0.000 0.218 202 A C 2.003 179.540 177.584 -0.078 0.000 1.169 202 A CA 1.321 53.325 52.037 -0.055 0.000 0.635 202 A CB -0.635 18.308 19.000 -0.095 0.000 0.810 202 A HN 0.582 nan 8.150 nan 0.000 0.445 203 F N 0.600 120.404 119.950 -0.244 0.000 2.084 203 F HA -0.153 4.343 4.527 -0.051 0.000 0.296 203 F C 2.306 178.033 175.800 -0.122 0.000 1.111 203 F CA 2.114 59.990 58.000 -0.207 0.000 1.224 203 F CB -0.129 38.756 39.000 -0.191 0.000 0.991 203 F HN 0.419 nan 8.300 nan 0.000 0.471 204 E N 0.274 120.606 120.200 0.221 0.000 2.070 204 E HA -0.286 4.033 4.350 -0.050 0.000 0.197 204 E C 2.186 178.713 176.600 -0.121 0.000 1.004 204 E CA 1.303 57.747 56.400 0.074 0.000 0.805 204 E CB -0.349 29.441 29.700 0.150 0.000 0.744 204 E HN 0.468 nan 8.360 nan 0.000 0.451 205 A N 0.736 123.513 122.820 -0.070 0.000 1.930 205 A HA -0.246 4.043 4.320 -0.050 0.000 0.217 205 A C 2.145 179.641 177.584 -0.147 0.000 1.175 205 A CA 1.698 53.677 52.037 -0.096 0.000 0.627 205 A CB -0.607 18.365 19.000 -0.047 0.000 0.815 205 A HN 0.461 nan 8.150 nan 0.000 0.443 206 Q N -0.595 119.105 119.800 -0.166 0.000 2.046 206 Q HA -0.124 4.186 4.340 -0.050 0.000 0.200 206 Q C 2.073 177.981 176.000 -0.153 0.000 0.975 206 Q CA 1.537 57.246 55.803 -0.157 0.000 0.836 206 Q CB -0.247 28.356 28.738 -0.225 0.000 0.896 206 Q HN 0.652 nan 8.270 nan 0.000 0.428 207 L N 0.393 121.444 121.223 -0.287 0.000 2.012 207 L HA -0.188 4.122 4.340 -0.050 0.000 0.210 207 L C 2.347 179.016 176.870 -0.336 0.000 1.073 207 L CA 1.752 56.422 54.840 -0.284 0.000 0.748 207 L CB -0.499 41.403 42.059 -0.263 0.000 0.891 207 L HN 0.336 nan 8.230 nan 0.000 0.431 208 A N -0.832 121.670 122.820 -0.531 0.000 1.948 208 A HA -0.304 3.986 4.320 -0.050 0.000 0.220 208 A C 2.153 179.580 177.584 -0.261 0.000 1.177 208 A CA 2.037 53.731 52.037 -0.571 0.000 0.636 208 A CB -0.644 18.055 19.000 -0.502 0.000 0.815 208 A HN 0.690 nan 8.150 nan 0.000 0.449 209 Q N -1.772 117.878 119.800 -0.250 0.000 2.226 209 Q HA -0.183 4.127 4.340 -0.050 0.000 0.204 209 Q C 1.023 176.764 176.000 -0.432 0.000 0.975 209 Q CA 1.606 57.212 55.803 -0.328 0.000 0.866 209 Q CB -0.111 28.371 28.738 -0.427 0.000 0.915 209 Q HN 0.943 nan 8.270 nan 0.000 0.440 210 H N -1.844 117.127 119.070 -0.166 0.000 2.755 210 H HA 0.301 4.827 4.556 -0.050 0.000 0.273 210 H C 1.481 176.716 175.328 -0.156 0.000 1.055 210 H CA 0.306 56.264 56.048 -0.150 0.000 1.191 210 H CB 0.570 30.234 29.762 -0.164 0.000 1.536 210 H HN 0.215 nan 8.280 nan 0.000 0.529 211 A N 0.636 123.410 122.820 -0.078 0.000 1.948 211 A HA -0.170 4.120 4.320 -0.050 0.000 0.220 211 A C 2.531 180.039 177.584 -0.127 0.000 1.177 211 A CA 1.798 53.782 52.037 -0.088 0.000 0.636 211 A CB -1.082 17.907 19.000 -0.019 0.000 0.815 211 A HN 0.510 nan 8.150 nan 0.000 0.449 212 G N -0.234 108.501 108.800 -0.108 0.000 2.598 212 G HA2 -0.026 3.904 3.960 -0.050 0.000 0.215 212 G HA3 -0.026 3.904 3.960 -0.050 0.000 0.215 212 G C 1.132 175.950 174.900 -0.138 0.000 1.131 212 G CA 0.949 45.969 45.100 -0.133 0.000 0.785 212 G HN 0.839 nan 8.290 nan 0.000 0.539 213 E N -0.616 119.521 120.200 -0.104 0.000 2.526 213 E HA 0.264 4.583 4.350 -0.050 0.000 0.208 213 E C 0.183 176.713 176.600 -0.116 0.000 0.997 213 E CA -0.414 55.932 56.400 -0.089 0.000 0.961 213 E CB 0.074 29.755 29.700 -0.031 0.000 1.030 213 E HN 0.219 nan 8.360 nan 0.000 0.483 214 L N 1.546 122.674 121.223 -0.157 0.000 2.272 214 L HA 0.449 4.759 4.340 -0.050 0.000 0.289 214 L C 0.917 177.654 176.870 -0.223 0.000 1.032 214 L CA -0.455 54.289 54.840 -0.159 0.000 0.810 214 L CB 1.644 43.623 42.059 -0.134 0.000 1.205 214 L HN 0.145 nan 8.230 nan 0.000 0.422 215 A N 3.472 126.228 122.820 -0.107 0.000 1.935 215 A HA 0.553 4.843 4.320 -0.050 0.000 0.214 215 A C 0.839 178.542 177.584 0.199 0.000 1.178 215 A CA 1.098 53.178 52.037 0.071 0.000 0.640 215 A CB 0.092 19.212 19.000 0.199 0.000 0.825 215 A HN 0.733 nan 8.150 nan 0.000 0.447 216 A N -1.889 120.956 122.820 0.041 0.000 2.605 216 A HA 0.549 4.838 4.320 -0.050 0.000 0.294 216 A C -1.210 176.336 177.584 -0.062 0.000 1.062 216 A CA -0.379 51.664 52.037 0.011 0.000 0.682 216 A CB 0.662 19.654 19.000 -0.013 0.000 1.278 216 A HN 0.415 nan 8.150 nan 0.000 0.410 217 V N 1.365 121.244 119.914 -0.058 0.000 2.439 217 V HA 0.543 4.633 4.120 -0.050 0.000 0.282 217 V C -0.379 175.640 176.094 -0.125 0.000 1.039 217 V CA -0.288 61.966 62.300 -0.077 0.000 0.913 217 V CB 1.368 33.190 31.823 -0.002 0.000 0.983 217 V HN 0.713 nan 8.190 nan 0.000 0.460 218 V N 6.067 125.874 119.914 -0.178 0.000 2.483 218 V HA 0.744 4.834 4.120 -0.050 0.000 0.297 218 V C -0.357 175.628 176.094 -0.182 0.000 1.027 218 V CA -0.534 61.651 62.300 -0.190 0.000 0.855 218 V CB 1.772 33.401 31.823 -0.323 0.000 0.995 218 V HN 0.769 nan 8.190 nan 0.000 0.424 219 V N 1.312 121.226 119.914 0.000 0.000 3.147 219 V HA 0.683 4.773 4.120 -0.050 0.000 0.306 219 V C -0.772 175.550 176.094 0.381 0.000 1.209 219 V CA -1.045 61.309 62.300 0.091 0.000 1.023 219 V CB 2.275 33.814 31.823 -0.474 0.000 1.059 219 V HN 0.790 nan 8.190 nan 0.000 0.435 220 E N 3.693 124.189 120.200 0.492 0.000 2.194 220 E HA 0.402 4.722 4.350 -0.050 0.000 0.284 220 E C -2.578 174.251 176.600 0.382 0.000 1.035 220 E CA -1.764 54.860 56.400 0.372 0.000 0.836 220 E CB 1.245 31.138 29.700 0.321 0.000 1.070 220 E HN 0.652 nan 8.360 nan 0.000 0.401 221 P HA -0.020 nan 4.420 nan 0.000 0.282 221 P C 0.626 177.929 177.300 0.005 0.000 1.262 221 P CA 0.040 63.120 63.100 -0.033 0.000 0.773 221 P CB 1.352 32.703 31.700 -0.581 0.000 0.879 222 V N 1.530 121.356 119.914 -0.147 0.000 0.481 222 V HA -0.278 3.812 4.120 -0.050 0.000 0.092 222 V C 0.833 176.608 176.094 -0.532 0.000 2.400 222 V CA 2.163 64.123 62.300 -0.567 0.000 3.646 222 V CB -1.934 29.757 31.823 -0.219 0.000 0.927 222 V HN 0.454 nan 8.190 nan 0.000 0.973 223 V N 1.587 121.404 119.914 -0.161 0.000 2.409 223 V HA 0.442 4.531 4.120 -0.050 0.000 0.291 223 V C -0.010 176.163 176.094 0.131 0.000 1.020 223 V CA -0.237 62.075 62.300 0.021 0.000 0.848 223 V CB 1.537 33.361 31.823 0.001 0.000 0.990 223 V HN 0.528 nan 8.190 nan 0.000 0.430 224 Q N 2.949 122.850 119.800 0.168 0.000 2.377 224 Q HA 0.385 4.695 4.340 -0.050 0.000 0.249 224 Q C 1.002 177.076 176.000 0.123 0.000 1.005 224 Q CA 0.029 55.936 55.803 0.174 0.000 0.912 224 Q CB 1.833 30.666 28.738 0.157 0.000 1.223 224 Q HN 0.954 nan 8.270 nan 0.000 0.459 225 G N 1.685 110.571 108.800 0.142 0.000 2.670 225 G HA2 -0.109 3.821 3.960 -0.050 0.000 0.215 225 G HA3 -0.109 3.821 3.960 -0.050 0.000 0.215 225 G C 1.042 176.049 174.900 0.178 0.000 1.359 225 G CA 0.656 45.816 45.100 0.101 0.000 0.897 225 G HN 0.646 nan 8.290 nan 0.000 0.552 226 A N 0.287 123.224 122.820 0.195 0.000 2.172 226 A HA 0.262 4.552 4.320 -0.050 0.000 0.216 226 A C 2.358 179.984 177.584 0.071 0.000 1.154 226 A CA 1.688 53.656 52.037 -0.115 0.000 0.701 226 A CB -0.586 17.979 19.000 -0.725 0.000 0.789 226 A HN 0.649 nan 8.150 nan 0.000 0.465 227 G N -1.687 107.213 108.800 0.167 0.000 2.920 227 G HA2 0.356 4.286 3.960 -0.050 0.000 0.208 227 G HA3 0.356 4.286 3.960 -0.050 0.000 0.208 227 G C 0.877 175.867 174.900 0.150 0.000 1.159 227 G CA 0.759 45.965 45.100 0.178 0.000 0.784 227 G HN 1.496 nan 8.290 nan 0.000 0.535 228 G N -0.704 108.202 108.800 0.177 0.000 2.731 228 G HA2 -0.065 3.864 3.960 -0.050 0.000 0.219 228 G HA3 -0.065 3.864 3.960 -0.050 0.000 0.219 228 G C 0.521 175.358 174.900 -0.106 0.000 0.989 228 G CA -0.120 44.973 45.100 -0.012 0.000 0.871 228 G HN 0.288 nan 8.290 nan 0.000 0.591 229 M N -0.216 119.363 119.600 -0.036 0.000 2.212 229 M HA -0.146 4.304 4.480 -0.050 0.000 0.193 229 M C 0.388 176.497 176.300 -0.318 0.000 0.493 229 M CA 0.973 56.187 55.300 -0.143 0.000 0.427 229 M CB -1.849 30.610 32.600 -0.235 0.000 1.120 229 M HN 0.587 nan 8.290 nan 0.000 0.929 230 R N -0.278 120.102 120.500 -0.199 0.000 2.407 230 R HA 0.737 5.047 4.340 -0.050 0.000 0.303 230 R C -0.150 176.110 176.300 -0.066 0.000 0.981 230 R CA -0.370 55.564 56.100 -0.276 0.000 0.905 230 R CB 1.100 31.309 30.300 -0.151 0.000 1.099 230 R HN 0.189 nan 8.270 nan 0.000 0.459 231 F N 2.766 122.650 119.950 -0.110 0.000 2.425 231 F HA 0.400 4.909 4.527 -0.030 0.000 0.331 231 F C 1.015 176.738 175.800 -0.128 0.000 1.085 231 F CA -1.013 56.884 58.000 -0.171 0.000 1.028 231 F CB 1.297 40.204 39.000 -0.154 0.000 1.177 231 F HN 0.473 nan 8.300 nan 0.000 0.487 232 H N -0.768 118.363 119.070 0.101 0.000 2.895 232 H HA 0.232 4.757 4.556 -0.052 0.000 0.373 232 H C -1.496 173.904 175.328 0.120 0.000 1.174 232 H CA -1.070 55.015 56.048 0.062 0.000 1.144 232 H CB 1.619 31.319 29.762 -0.103 0.000 1.793 232 H HN 0.548 nan 8.280 nan 0.000 0.551 233 D N 2.120 122.701 120.400 0.302 0.000 2.487 233 D HA -0.004 4.606 4.640 -0.050 0.000 0.243 233 D C -1.470 174.934 176.300 0.174 0.000 1.154 233 D CA -1.144 52.930 54.000 0.124 0.000 0.876 233 D CB 1.292 42.098 40.800 0.011 0.000 1.161 233 D HN 0.342 nan 8.370 nan 0.000 0.478 234 P HA -0.132 nan 4.420 nan 0.000 0.220 234 P C 1.240 178.601 177.300 0.103 0.000 1.144 234 P CA 0.921 64.081 63.100 0.100 0.000 0.800 234 P CB 0.181 31.905 31.700 0.040 0.000 0.772 235 R N -1.718 118.729 120.500 -0.090 0.000 2.127 235 R HA -0.174 4.136 4.340 -0.050 0.000 0.238 235 R C 2.088 178.395 176.300 0.010 0.000 1.134 235 R CA 1.234 57.178 56.100 -0.260 0.000 0.975 235 R CB -0.729 29.018 30.300 -0.922 0.000 0.865 235 R HN 0.240 nan 8.270 nan 0.000 0.447 236 Y N 0.661 121.131 120.300 0.285 0.000 2.241 236 Y HA -0.222 4.294 4.550 -0.056 0.000 0.286 236 Y C 2.007 178.101 175.900 0.323 0.000 1.166 236 Y CA 1.092 59.421 58.100 0.382 0.000 1.203 236 Y CB -0.339 38.324 38.460 0.339 0.000 0.977 236 Y HN 0.062 nan 8.280 nan 0.000 0.529 237 L N -1.710 119.788 121.223 0.458 0.000 2.156 237 L HA -0.194 4.116 4.340 -0.050 0.000 0.208 237 L C 2.252 179.320 176.870 0.330 0.000 1.095 237 L CA 1.426 56.502 54.840 0.393 0.000 0.770 237 L CB -0.643 41.616 42.059 0.332 0.000 0.914 237 L HN 0.239 nan 8.230 nan 0.000 0.439 238 H N 0.465 119.650 119.070 0.191 0.000 2.353 238 H HA -0.175 4.351 4.556 -0.051 0.000 0.300 238 H C 1.880 177.291 175.328 0.139 0.000 1.090 238 H CA 1.962 58.088 56.048 0.131 0.000 1.327 238 H CB 0.223 30.019 29.762 0.058 0.000 1.383 238 H HN 0.221 nan 8.280 nan 0.000 0.508 239 D N -0.062 120.529 120.400 0.317 0.000 2.097 239 D HA -0.133 4.477 4.640 -0.050 0.000 0.195 239 D C 2.155 178.549 176.300 0.157 0.000 0.989 239 D CA 0.669 54.828 54.000 0.265 0.000 0.827 239 D CB -0.289 40.725 40.800 0.356 0.000 0.966 239 D HN 0.255 nan 8.370 nan 0.000 0.456 240 L N 0.651 121.943 121.223 0.114 0.000 2.046 240 L HA -0.125 4.185 4.340 -0.050 0.000 0.208 240 L C 2.370 179.259 176.870 0.033 0.000 1.077 240 L CA 1.232 56.075 54.840 0.004 0.000 0.747 240 L CB -0.794 41.227 42.059 -0.063 0.000 0.896 240 L HN -0.075 nan 8.230 nan 0.000 0.432 241 R N 0.217 120.738 120.500 0.034 0.000 2.083 241 R HA -0.221 4.089 4.340 -0.050 0.000 0.237 241 R C 2.060 178.347 176.300 -0.022 0.000 1.137 241 R CA 2.105 58.185 56.100 -0.034 0.000 0.951 241 R CB -0.805 29.448 30.300 -0.079 0.000 0.851 241 R HN 0.470 nan 8.270 nan 0.000 0.434 242 D N -0.674 119.723 120.400 -0.005 0.000 2.117 242 D HA -0.086 4.524 4.640 -0.050 0.000 0.198 242 D C 1.897 178.254 176.300 0.094 0.000 0.982 242 D CA 1.578 55.596 54.000 0.029 0.000 0.828 242 D CB -0.022 40.811 40.800 0.056 0.000 0.967 242 D HN 0.384 nan 8.370 nan 0.000 0.464 243 I N 0.039 120.695 120.570 0.143 0.000 2.142 243 I HA -0.331 3.809 4.170 -0.050 0.000 0.240 243 I C 2.485 178.758 176.117 0.259 0.000 1.078 243 I CA 0.792 62.237 61.300 0.242 0.000 1.343 243 I CB -0.387 37.762 38.000 0.248 0.000 1.046 243 I HN 0.241 nan 8.210 nan 0.000 0.405 244 C N 0.997 120.393 119.300 0.160 0.000 2.413 244 C HA -0.192 4.237 4.460 -0.050 0.000 0.276 244 C C 2.997 178.061 174.990 0.124 0.000 1.248 244 C CA 1.496 60.593 59.018 0.132 0.000 1.742 244 C CB -1.398 26.373 27.740 0.051 0.000 2.017 244 C HN 0.543 nan 8.230 nan 0.000 0.481 245 R N 1.210 121.756 120.500 0.075 0.000 2.081 245 R HA -0.105 4.205 4.340 -0.050 0.000 0.235 245 R C 2.128 178.455 176.300 0.045 0.000 1.131 245 R CA 1.603 57.733 56.100 0.051 0.000 0.960 245 R CB -0.533 29.773 30.300 0.012 0.000 0.856 245 R HN 0.468 nan 8.270 nan 0.000 0.436 246 R N -0.791 119.725 120.500 0.026 0.000 2.148 246 R HA -0.043 4.267 4.340 -0.050 0.000 0.223 246 R C 0.815 176.979 176.300 -0.226 0.000 1.088 246 R CA 1.195 57.229 56.100 -0.111 0.000 0.985 246 R CB 0.020 30.213 30.300 -0.178 0.000 0.880 246 R HN 0.347 nan 8.270 nan 0.000 0.451 247 Y N 0.475 120.797 120.300 0.036 0.000 2.555 247 Y HA 0.159 4.679 4.550 -0.050 0.000 0.259 247 Y C -0.339 175.562 175.900 0.002 0.000 1.179 247 Y CA -0.356 57.752 58.100 0.013 0.000 1.230 247 Y CB 0.337 38.800 38.460 0.006 0.000 1.146 247 Y HN -0.014 nan 8.280 nan 0.000 0.526 248 E N 0.372 120.667 120.200 0.157 0.000 2.240 248 E HA -0.165 4.155 4.350 -0.050 0.000 0.194 248 E C -1.255 175.455 176.600 0.183 0.000 1.385 248 E CA 0.114 56.647 56.400 0.222 0.000 0.686 248 E CB -1.274 28.544 29.700 0.198 0.000 1.125 248 E HN 0.040 nan 8.360 nan 0.000 0.359 249 V N 1.945 121.996 119.914 0.229 0.000 2.638 249 V HA 0.381 4.471 4.120 -0.050 0.000 0.306 249 V C 0.485 176.712 176.094 0.221 0.000 1.052 249 V CA -0.800 61.617 62.300 0.196 0.000 0.885 249 V CB 1.867 33.734 31.823 0.073 0.000 0.999 249 V HN 0.232 nan 8.190 nan 0.000 0.424 250 L N 4.098 125.474 121.223 0.255 0.000 2.464 250 L HA 0.385 4.695 4.340 -0.050 0.000 0.264 250 L C -0.406 176.429 176.870 -0.059 0.000 1.199 250 L CA -0.318 54.533 54.840 0.019 0.000 0.818 250 L CB 0.628 42.622 42.059 -0.107 0.000 1.102 250 L HN 0.414 nan 8.230 nan 0.000 0.473 251 L N 3.300 124.424 121.223 -0.165 0.000 2.313 251 L HA 0.541 4.851 4.340 -0.050 0.000 0.283 251 L C -0.597 176.079 176.870 -0.324 0.000 1.013 251 L CA 0.022 54.716 54.840 -0.243 0.000 0.816 251 L CB 1.146 43.007 42.059 -0.330 0.000 1.236 251 L HN 0.305 nan 8.230 nan 0.000 0.419 252 I N 5.451 125.877 120.570 -0.241 0.000 2.389 252 I HA 0.322 4.462 4.170 -0.050 0.000 0.288 252 I C -1.008 175.104 176.117 -0.008 0.000 0.999 252 I CA -0.508 60.686 61.300 -0.177 0.000 1.129 252 I CB 1.251 39.178 38.000 -0.121 0.000 1.288 252 I HN 0.361 nan 8.210 nan 0.000 0.444 253 F N 3.817 123.743 119.950 -0.039 0.000 2.415 253 F HA 0.251 4.750 4.527 -0.046 0.000 0.348 253 F C 0.548 176.376 175.800 0.048 0.000 1.119 253 F CA -1.305 56.707 58.000 0.019 0.000 1.069 253 F CB 0.832 39.848 39.000 0.028 0.000 1.124 253 F HN 0.377 nan 8.300 nan 0.000 0.472 254 D N 3.514 124.108 120.400 0.323 0.000 2.456 254 D HA 0.099 4.709 4.640 -0.050 0.000 0.219 254 D C 0.161 176.607 176.300 0.243 0.000 1.126 254 D CA 0.085 54.247 54.000 0.270 0.000 0.890 254 D CB 0.416 41.447 40.800 0.386 0.000 1.025 254 D HN 0.580 nan 8.370 nan 0.000 0.511 255 E N 3.523 123.851 120.200 0.212 0.000 2.423 255 E HA 0.101 4.421 4.350 -0.050 0.000 0.198 255 E C 1.550 178.295 176.600 0.242 0.000 1.038 255 E CA -0.198 56.330 56.400 0.213 0.000 1.011 255 E CB 0.578 30.410 29.700 0.220 0.000 1.118 255 E HN 0.618 nan 8.360 nan 0.000 0.451 256 I N 0.924 121.637 120.570 0.239 0.000 2.335 256 I HA -0.274 3.866 4.170 -0.050 0.000 0.251 256 I C 2.328 178.627 176.117 0.304 0.000 1.129 256 I CA 1.361 62.816 61.300 0.258 0.000 1.402 256 I CB -0.024 38.100 38.000 0.206 0.000 1.069 256 I HN 0.122 nan 8.210 nan 0.000 0.424 257 A N 0.120 123.129 122.820 0.316 0.000 1.973 257 A HA -0.061 4.229 4.320 -0.050 0.000 0.210 257 A C 2.290 180.029 177.584 0.258 0.000 1.200 257 A CA 1.177 53.445 52.037 0.385 0.000 0.707 257 A CB -0.759 18.525 19.000 0.473 0.000 0.862 257 A HN 0.422 nan 8.150 nan 0.000 0.461 258 T N -2.070 112.599 114.554 0.192 0.000 3.085 258 T HA 0.289 4.609 4.350 -0.050 0.000 0.263 258 T C 1.097 175.840 174.700 0.072 0.000 1.127 258 T CA 0.478 62.645 62.100 0.112 0.000 1.103 258 T CB -0.438 68.484 68.868 0.089 0.000 0.921 258 T HN 0.407 nan 8.240 nan 0.000 0.510 259 G N 0.234 109.109 108.800 0.124 0.000 2.634 259 G HA2 0.420 4.350 3.960 -0.050 0.000 0.255 259 G HA3 0.420 4.350 3.960 -0.050 0.000 0.255 259 G C -0.280 174.472 174.900 -0.247 0.000 1.205 259 G CA -0.937 44.092 45.100 -0.118 0.000 0.884 259 G HN 0.387 nan 8.290 nan 0.000 0.549 260 F N -0.964 118.577 119.950 -0.681 0.000 3.071 260 F HA -0.216 4.280 4.527 -0.051 0.000 0.295 260 F C 1.802 177.392 175.800 -0.350 0.000 0.919 260 F CA 1.284 58.978 58.000 -0.511 0.000 1.050 260 F CB -1.438 37.441 39.000 -0.201 0.000 1.040 260 F HN 1.573 nan 8.300 nan 0.000 0.692 261 G N -0.876 107.655 108.800 -0.449 0.000 2.195 261 G HA2 -0.428 3.502 3.960 -0.050 0.000 0.246 261 G HA3 -0.428 3.502 3.960 -0.050 0.000 0.246 261 G C 0.882 175.707 174.900 -0.125 0.000 0.984 261 G CA 0.587 45.472 45.100 -0.358 0.000 0.633 261 G HN 0.595 nan 8.290 nan 0.000 0.525 262 R N 1.428 121.944 120.500 0.026 0.000 2.127 262 R HA -0.029 4.281 4.340 -0.050 0.000 0.238 262 R C 2.610 178.911 176.300 0.002 0.000 1.134 262 R CA 2.825 58.990 56.100 0.108 0.000 0.975 262 R CB -0.778 29.615 30.300 0.154 0.000 0.865 262 R HN 0.740 nan 8.270 nan 0.000 0.447 263 T N -4.068 110.479 114.554 -0.010 0.000 3.122 263 T HA 0.307 4.627 4.350 -0.050 0.000 0.250 263 T C 1.200 175.963 174.700 0.105 0.000 1.067 263 T CA 0.319 62.421 62.100 0.003 0.000 0.966 263 T CB 0.434 69.333 68.868 0.051 0.000 1.002 263 T HN 0.398 nan 8.240 nan 0.000 0.542 264 G N 0.484 109.327 108.800 0.072 0.000 2.213 264 G HA2 0.064 3.994 3.960 -0.050 0.000 0.226 264 G HA3 0.064 3.994 3.960 -0.050 0.000 0.226 264 G C 0.215 175.238 174.900 0.205 0.000 0.992 264 G CA -0.282 44.897 45.100 0.132 0.000 0.632 264 G HN 1.199 nan 8.290 nan 0.000 0.511 265 A N -0.800 122.040 122.820 0.033 0.000 2.346 265 A HA 0.868 5.158 4.320 -0.050 0.000 0.313 265 A C 1.134 178.580 177.584 -0.230 0.000 1.140 265 A CA 0.211 52.205 52.037 -0.072 0.000 0.826 265 A CB 1.072 19.706 19.000 -0.609 0.000 1.332 265 A HN 0.995 nan 8.150 nan 0.000 0.457 266 L N -0.101 120.916 121.223 -0.343 0.000 2.017 266 L HA 0.138 4.447 4.340 -0.050 0.000 0.208 266 L C -0.144 176.110 176.870 -1.026 0.000 1.073 266 L CA 2.048 56.377 54.840 -0.851 0.000 0.745 266 L CB -0.575 41.123 42.059 -0.601 0.000 0.894 266 L HN 0.594 nan 8.230 nan 0.000 0.432 267 F N -2.928 116.867 119.950 -0.257 0.000 2.576 267 F HA 0.504 5.001 4.527 -0.051 0.000 0.313 267 F C 1.018 176.716 175.800 -0.170 0.000 1.078 267 F CA -0.342 57.535 58.000 -0.205 0.000 0.921 267 F CB 1.257 40.150 39.000 -0.179 0.000 1.232 267 F HN -0.201 nan 8.300 nan 0.000 0.459 268 A N 1.551 124.408 122.820 0.063 0.000 2.015 268 A HA 0.053 4.343 4.320 -0.050 0.000 0.219 268 A C 2.164 179.778 177.584 0.050 0.000 1.163 268 A CA 1.632 53.709 52.037 0.066 0.000 0.646 268 A CB -1.015 18.034 19.000 0.081 0.000 0.806 268 A HN 0.887 nan 8.150 nan 0.000 0.448 269 A N 0.442 123.290 122.820 0.046 0.000 1.986 269 A HA -0.232 4.058 4.320 -0.050 0.000 0.220 269 A C 1.610 179.259 177.584 0.108 0.000 1.171 269 A CA 1.929 54.022 52.037 0.093 0.000 0.640 269 A CB -0.551 18.615 19.000 0.277 0.000 0.811 269 A HN 0.476 nan 8.150 nan 0.000 0.451 270 D N -0.886 119.537 120.400 0.039 0.000 2.264 270 D HA -0.114 4.495 4.640 -0.050 0.000 0.208 270 D C 1.526 177.815 176.300 -0.018 0.000 0.966 270 D CA 0.928 54.928 54.000 0.001 0.000 0.864 270 D CB -0.484 40.297 40.800 -0.031 0.000 0.933 270 D HN 0.580 nan 8.370 nan 0.000 0.499 271 H N 0.079 119.179 119.070 0.049 0.000 2.456 271 H HA 0.071 4.600 4.556 -0.046 0.000 0.296 271 H C 1.734 177.082 175.328 0.033 0.000 1.079 271 H CA 1.256 57.317 56.048 0.021 0.000 1.322 271 H CB 0.187 29.939 29.762 -0.016 0.000 1.388 271 H HN 0.146 nan 8.280 nan 0.000 0.538 272 A N -0.478 122.450 122.820 0.180 0.000 2.252 272 A HA 0.362 4.652 4.320 -0.050 0.000 0.213 272 A C 1.794 179.487 177.584 0.182 0.000 1.188 272 A CA 0.731 52.871 52.037 0.172 0.000 0.863 272 A CB 0.092 19.217 19.000 0.207 0.000 0.893 272 A HN 0.389 nan 8.150 nan 0.000 0.495 273 G N -0.180 108.708 108.800 0.146 0.000 2.246 273 G HA2 -0.026 3.904 3.960 -0.050 0.000 0.273 273 G HA3 -0.026 3.904 3.960 -0.050 0.000 0.273 273 G C 0.250 175.231 174.900 0.134 0.000 1.055 273 G CA 0.788 45.964 45.100 0.127 0.000 0.851 273 G HN 1.871 nan 8.290 nan 0.000 0.500 274 V N -3.136 116.875 119.914 0.162 0.000 2.864 274 V HA 0.958 5.048 4.120 -0.050 0.000 0.314 274 V C 0.063 176.237 176.094 0.135 0.000 1.073 274 V CA -0.339 62.042 62.300 0.134 0.000 0.956 274 V CB 2.390 34.312 31.823 0.166 0.000 1.023 274 V HN 0.616 nan 8.190 nan 0.000 0.435 275 S N 5.054 120.766 115.700 0.020 0.000 2.478 275 S HA 0.710 5.150 4.470 -0.050 0.000 0.312 275 S C -2.591 171.886 174.600 -0.205 0.000 1.094 275 S CA -0.889 57.282 58.200 -0.049 0.000 1.081 275 S CB 1.739 64.900 63.200 -0.064 0.000 1.007 275 S HN 0.954 nan 8.310 nan 0.000 0.475 276 P HA 0.369 nan 4.420 nan 0.000 0.279 276 P C -0.186 176.906 177.300 -0.347 0.000 1.276 276 P CA -0.441 62.301 63.100 -0.596 0.000 0.801 276 P CB 0.880 32.038 31.700 -0.902 0.000 1.127 277 D N -0.694 119.506 120.400 -0.333 0.000 2.213 277 D HA 0.126 4.736 4.640 -0.050 0.000 0.205 277 D C 0.697 176.850 176.300 -0.246 0.000 0.961 277 D CA 1.241 55.077 54.000 -0.274 0.000 0.853 277 D CB 0.419 41.035 40.800 -0.306 0.000 0.967 277 D HN 0.323 nan 8.370 nan 0.000 0.496 278 I N 0.193 120.618 120.570 -0.241 0.000 2.769 278 I HA 0.363 4.503 4.170 -0.050 0.000 0.298 278 I C -0.702 175.326 176.117 -0.149 0.000 1.128 278 I CA -0.731 60.459 61.300 -0.183 0.000 1.031 278 I CB 2.983 40.880 38.000 -0.171 0.000 1.235 278 I HN -0.238 nan 8.210 nan 0.000 0.423 279 M N 4.720 124.257 119.600 -0.104 0.000 2.421 279 M HA 0.596 5.046 4.480 -0.050 0.000 0.287 279 M C -2.098 174.187 176.300 -0.026 0.000 1.183 279 M CA -0.173 55.095 55.300 -0.053 0.000 0.916 279 M CB 1.968 34.508 32.600 -0.100 0.000 1.701 279 M HN 0.732 nan 8.290 nan 0.000 0.470 280 C N 3.784 123.105 119.300 0.035 0.000 2.417 280 C HA 0.914 5.344 4.460 -0.050 0.000 0.324 280 C C -0.275 174.784 174.990 0.115 0.000 1.240 280 C CA -0.731 58.327 59.018 0.067 0.000 1.632 280 C CB 1.165 28.957 27.740 0.086 0.000 2.241 280 C HN 0.715 nan 8.230 nan 0.000 0.499 281 V N 0.827 120.834 119.914 0.154 0.000 3.102 281 V HA 1.126 5.216 4.120 -0.050 0.000 0.312 281 V C -0.105 176.162 176.094 0.288 0.000 1.135 281 V CA 0.278 62.738 62.300 0.266 0.000 1.022 281 V CB 1.439 33.464 31.823 0.337 0.000 1.056 281 V HN 1.322 nan 8.190 nan 0.000 0.436 282 G N 0.108 109.115 108.800 0.345 0.000 2.474 282 G HA2 0.423 4.353 3.960 -0.050 0.000 0.234 282 G HA3 0.423 4.353 3.960 -0.050 0.000 0.234 282 G C -0.263 174.769 174.900 0.219 0.000 1.204 282 G CA 0.112 45.356 45.100 0.241 0.000 0.939 282 G HN 0.987 nan 8.290 nan 0.000 0.491 283 K N -1.145 119.343 120.400 0.147 0.000 6.999 283 K HA -0.392 3.897 4.320 -0.050 0.000 0.344 283 K C 2.181 178.821 176.600 0.066 0.000 0.603 283 K CA 2.531 58.892 56.287 0.123 0.000 1.181 283 K CB -1.544 31.070 32.500 0.190 0.000 0.790 283 K HN 1.232 nan 8.250 nan 0.000 0.953 284 A N 1.044 123.908 122.820 0.074 0.000 2.209 284 A HA -0.025 4.265 4.320 -0.050 0.000 0.212 284 A C 1.860 179.197 177.584 -0.412 0.000 1.158 284 A CA 1.355 53.327 52.037 -0.108 0.000 0.742 284 A CB -0.278 18.700 19.000 -0.037 0.000 0.790 284 A HN 0.400 nan 8.150 nan 0.000 0.472 285 L N 0.663 121.643 121.223 -0.405 0.000 2.043 285 L HA -0.150 4.159 4.340 -0.050 0.000 0.212 285 L C 2.327 178.985 176.870 -0.354 0.000 1.075 285 L CA 2.865 57.341 54.840 -0.606 0.000 0.752 285 L CB -0.813 41.193 42.059 -0.089 0.000 0.891 285 L HN 0.482 nan 8.230 nan 0.000 0.432 286 T N -3.593 110.864 114.554 -0.163 0.000 3.188 286 T HA 0.370 4.690 4.350 -0.050 0.000 0.250 286 T C 1.298 175.983 174.700 -0.024 0.000 1.077 286 T CA 0.162 62.210 62.100 -0.085 0.000 0.967 286 T CB -0.534 68.329 68.868 -0.008 0.000 1.006 286 T HN 0.696 nan 8.240 nan 0.000 0.552 287 G N 1.047 109.803 108.800 -0.075 0.000 2.203 287 G HA2 0.050 3.980 3.960 -0.050 0.000 0.263 287 G HA3 0.050 3.980 3.960 -0.050 0.000 0.263 287 G C 1.033 175.996 174.900 0.106 0.000 1.012 287 G CA 0.235 45.340 45.100 0.010 0.000 0.749 287 G HN 1.821 nan 8.290 nan 0.000 0.512 288 G N -2.409 106.425 108.800 0.056 0.000 2.160 288 G HA2 -0.303 3.626 3.960 -0.050 0.000 0.251 288 G HA3 -0.303 3.626 3.960 -0.050 0.000 0.251 288 G C 0.735 175.656 174.900 0.036 0.000 1.008 288 G CA 1.173 46.289 45.100 0.027 0.000 0.724 288 G HN 0.908 nan 8.290 nan 0.000 0.514 289 Y N -0.712 119.567 120.300 -0.034 0.000 2.262 289 Y HA 0.544 5.063 4.550 -0.051 0.000 0.295 289 Y C 1.722 177.607 175.900 -0.024 0.000 1.121 289 Y CA 1.060 59.150 58.100 -0.018 0.000 1.144 289 Y CB 0.379 38.826 38.460 -0.023 0.000 1.043 289 Y HN 0.295 nan 8.280 nan 0.000 0.528 290 L N -0.850 120.450 121.223 0.128 0.000 2.466 290 L HA 0.325 4.635 4.340 -0.050 0.000 0.258 290 L C -0.463 176.418 176.870 0.018 0.000 0.973 290 L CA -1.238 53.628 54.840 0.044 0.000 0.826 290 L CB 2.117 44.191 42.059 0.025 0.000 1.372 290 L HN -0.176 nan 8.230 nan 0.000 0.409 291 S N 2.097 117.793 115.700 -0.007 0.000 2.533 291 S HA 0.585 5.025 4.470 -0.050 0.000 0.282 291 S C -0.648 173.955 174.600 0.005 0.000 1.304 291 S CA -0.392 57.810 58.200 0.002 0.000 1.063 291 S CB 1.100 64.295 63.200 -0.010 0.000 0.881 291 S HN 0.457 nan 8.310 nan 0.000 0.493 292 L N 1.615 122.859 121.223 0.036 0.000 2.591 292 L HA 0.797 5.107 4.340 -0.050 0.000 0.257 292 L C -0.871 176.073 176.870 0.124 0.000 0.935 292 L CA -0.107 54.770 54.840 0.062 0.000 0.873 292 L CB 1.469 43.540 42.059 0.019 0.000 1.397 292 L HN 1.112 nan 8.230 nan 0.000 0.414 293 A N 2.678 125.610 122.820 0.186 0.000 2.569 293 A HA 1.084 5.374 4.320 -0.050 0.000 0.290 293 A C -1.573 176.190 177.584 0.299 0.000 1.136 293 A CA -0.086 52.083 52.037 0.220 0.000 0.710 293 A CB 1.817 20.917 19.000 0.166 0.000 1.303 293 A HN 1.744 nan 8.150 nan 0.000 0.413 294 A N -0.149 122.810 122.820 0.231 0.000 2.549 294 A HA 0.794 5.084 4.320 -0.050 0.000 0.297 294 A C -0.685 176.940 177.584 0.068 0.000 1.061 294 A CA -0.353 51.761 52.037 0.127 0.000 0.690 294 A CB 1.371 20.384 19.000 0.023 0.000 1.287 294 A HN 1.009 nan 8.150 nan 0.000 0.402 295 T N 2.318 116.896 114.554 0.038 0.000 2.786 295 T HA 0.577 4.897 4.350 -0.050 0.000 0.283 295 T C -0.609 174.064 174.700 -0.044 0.000 0.992 295 T CA -0.134 61.966 62.100 -0.000 0.000 0.954 295 T CB 0.506 69.364 68.868 -0.016 0.000 0.934 295 T HN 0.409 nan 8.240 nan 0.000 0.440 296 L N 3.331 124.507 121.223 -0.078 0.000 2.334 296 L HA 0.803 5.113 4.340 -0.050 0.000 0.275 296 L C 0.422 177.230 176.870 -0.104 0.000 1.036 296 L CA -0.493 54.287 54.840 -0.101 0.000 0.807 296 L CB 1.356 43.336 42.059 -0.131 0.000 1.231 296 L HN 0.934 nan 8.230 nan 0.000 0.438 297 C N -1.514 117.728 119.300 -0.097 0.000 3.236 297 C HA 0.892 5.322 4.460 -0.050 0.000 0.312 297 C C 0.499 175.427 174.990 -0.103 0.000 1.374 297 C CA -0.549 58.399 59.018 -0.116 0.000 1.455 297 C CB 1.228 28.899 27.740 -0.115 0.000 1.834 297 C HN 0.950 nan 8.230 nan 0.000 0.460 298 T N -0.492 113.990 114.554 -0.120 0.000 2.766 298 T HA 0.496 4.815 4.350 -0.050 0.000 0.295 298 T C 1.281 175.945 174.700 -0.059 0.000 1.024 298 T CA 0.262 62.304 62.100 -0.097 0.000 1.018 298 T CB 0.736 69.533 68.868 -0.118 0.000 1.002 298 T HN 1.780 nan 8.240 nan 0.000 0.532 299 A N 0.364 123.159 122.820 -0.041 0.000 1.933 299 A HA -0.058 4.232 4.320 -0.050 0.000 0.218 299 A C 2.018 179.616 177.584 0.023 0.000 1.175 299 A CA 1.947 53.977 52.037 -0.012 0.000 0.628 299 A CB -1.228 17.757 19.000 -0.026 0.000 0.814 299 A HN 1.019 nan 8.150 nan 0.000 0.444 300 D N -0.534 119.870 120.400 0.007 0.000 2.144 300 D HA -0.113 4.496 4.640 -0.050 0.000 0.199 300 D C 1.729 178.097 176.300 0.112 0.000 0.984 300 D CA 1.529 55.565 54.000 0.060 0.000 0.834 300 D CB -0.086 40.730 40.800 0.027 0.000 0.955 300 D HN 0.146 nan 8.370 nan 0.000 0.465 301 V N 0.669 120.583 119.914 0.001 0.000 2.307 301 V HA -0.172 3.918 4.120 -0.050 0.000 0.245 301 V C 2.614 178.746 176.094 0.064 0.000 1.045 301 V CA 1.770 64.067 62.300 -0.004 0.000 1.024 301 V CB -0.954 30.742 31.823 -0.211 0.000 0.651 301 V HN 0.361 nan 8.190 nan 0.000 0.449 302 A N -1.000 121.838 122.820 0.030 0.000 1.902 302 A HA -0.292 3.998 4.320 -0.050 0.000 0.217 302 A C 2.263 179.884 177.584 0.061 0.000 1.181 302 A CA 2.032 54.092 52.037 0.039 0.000 0.623 302 A CB -0.901 18.120 19.000 0.035 0.000 0.818 302 A HN 0.719 nan 8.150 nan 0.000 0.443 303 H N -0.555 118.511 119.070 -0.007 0.000 2.389 303 H HA -0.085 4.441 4.556 -0.051 0.000 0.299 303 H C 1.928 177.236 175.328 -0.034 0.000 1.081 303 H CA 1.819 57.857 56.048 -0.018 0.000 1.345 303 H CB 0.085 29.835 29.762 -0.020 0.000 1.393 303 H HN 0.434 nan 8.280 nan 0.000 0.520 304 T N 1.155 115.655 114.554 -0.090 0.000 2.821 304 T HA -0.068 4.252 4.350 -0.050 0.000 0.267 304 T C 2.265 176.831 174.700 -0.223 0.000 1.046 304 T CA 1.194 63.157 62.100 -0.228 0.000 1.139 304 T CB -0.091 68.589 68.868 -0.313 0.000 0.871 304 T HN 0.272 nan 8.240 nan 0.000 0.454 305 I N 1.759 122.262 120.570 -0.112 0.000 2.202 305 I HA -0.173 3.967 4.170 -0.050 0.000 0.242 305 I C 2.775 178.830 176.117 -0.104 0.000 1.091 305 I CA 1.432 62.678 61.300 -0.089 0.000 1.368 305 I CB -0.363 37.618 38.000 -0.032 0.000 1.058 305 I HN 0.309 nan 8.210 nan 0.000 0.410 306 S N 0.969 116.605 115.700 -0.108 0.000 2.428 306 S HA 0.013 4.453 4.470 -0.050 0.000 0.230 306 S C 2.091 176.599 174.600 -0.154 0.000 1.014 306 S CA 0.614 58.756 58.200 -0.096 0.000 0.957 306 S CB -0.296 62.876 63.200 -0.047 0.000 0.784 306 S HN 0.366 nan 8.310 nan 0.000 0.499 307 A N 1.814 124.465 122.820 -0.282 0.000 2.067 307 A HA 0.463 4.753 4.320 -0.050 0.000 0.217 307 A C 1.493 178.968 177.584 -0.181 0.000 1.156 307 A CA 0.633 52.497 52.037 -0.287 0.000 0.683 307 A CB -1.269 17.435 19.000 -0.494 0.000 0.808 307 A HN 0.646 nan 8.150 nan 0.000 0.455 308 G N -1.298 107.401 108.800 -0.167 0.000 2.651 308 G HA2 0.444 4.373 3.960 -0.050 0.000 0.260 308 G HA3 0.444 4.373 3.960 -0.050 0.000 0.260 308 G C 0.239 175.089 174.900 -0.083 0.000 1.216 308 G CA 0.078 45.105 45.100 -0.121 0.000 0.913 308 G HN 0.820 nan 8.290 nan 0.000 0.535 309 A N 0.335 123.117 122.820 -0.063 0.000 2.539 309 A HA 0.641 4.930 4.320 -0.050 0.000 0.306 309 A C 1.199 178.762 177.584 -0.036 0.000 1.392 309 A CA 0.376 52.386 52.037 -0.044 0.000 1.060 309 A CB -0.880 18.099 19.000 -0.036 0.000 1.134 309 A HN 2.125 nan 8.150 nan 0.000 0.542 314 M N -0.725 118.930 119.600 0.092 0.000 2.523 314 M HA 0.335 4.785 4.480 -0.050 0.000 0.287 314 M C 0.023 176.413 176.300 0.150 0.000 1.160 314 M CA -0.306 55.074 55.300 0.133 0.000 0.902 314 M CB 2.055 34.822 32.600 0.278 0.000 1.752 314 M HN -0.107 nan 8.290 nan 0.000 0.504 315 R N -0.039 120.530 120.500 0.115 0.000 2.128 315 R HA 0.284 4.594 4.340 -0.050 0.000 0.211 315 R C 1.282 177.647 176.300 0.108 0.000 1.067 315 R CA 1.126 57.282 56.100 0.092 0.000 1.010 315 R CB 0.390 30.725 30.300 0.059 0.000 0.922 315 R HN 0.814 nan 8.270 nan 0.000 0.457 316 G N 1.281 110.158 108.800 0.130 0.000 3.194 316 G HA2 0.311 4.240 3.960 -0.050 0.000 0.160 316 G HA3 0.311 4.240 3.960 -0.050 0.000 0.160 316 G C -2.446 172.587 174.900 0.222 0.000 1.267 316 G CA -0.740 44.443 45.100 0.138 0.000 0.962 316 G HN -0.070 nan 8.290 nan 0.000 0.612 317 P HA 0.171 nan 4.420 nan 0.000 0.272 317 P C 0.597 177.967 177.300 0.116 0.000 1.240 317 P CA 0.114 63.309 63.100 0.160 0.000 0.791 317 P CB 0.845 32.656 31.700 0.185 0.000 0.978 318 T N 0.415 115.012 114.554 0.072 0.000 2.720 318 T HA -0.127 4.193 4.350 -0.050 0.000 0.268 318 T C 1.027 175.642 174.700 -0.141 0.000 1.037 318 T CA 1.763 63.825 62.100 -0.063 0.000 1.144 318 T CB -0.694 68.084 68.868 -0.150 0.000 0.864 318 T HN 0.380 nan 8.240 nan 0.000 0.444 319 F N 0.607 120.588 119.950 0.052 0.000 2.645 319 F HA 0.424 4.920 4.527 -0.050 0.000 0.300 319 F C 0.799 176.648 175.800 0.082 0.000 1.115 319 F CA -0.662 57.341 58.000 0.004 0.000 1.355 319 F CB -0.398 38.510 39.000 -0.154 0.000 1.026 319 F HN 0.086 nan 8.300 nan 0.000 0.536 320 M N 1.282 120.992 119.600 0.184 0.000 2.274 320 M HA 0.102 4.552 4.480 -0.050 0.000 0.377 320 M C 1.085 177.302 176.300 -0.139 0.000 1.428 320 M CA 0.868 56.194 55.300 0.043 0.000 0.907 320 M CB 0.210 32.821 32.600 0.018 0.000 1.974 320 M HN 0.381 nan 8.290 nan 0.000 0.479 321 A N 3.357 126.003 122.820 -0.290 0.000 2.872 321 A HA -0.266 4.024 4.320 -0.050 0.000 0.273 321 A C 0.204 177.644 177.584 -0.239 0.000 1.442 321 A CA 1.075 52.741 52.037 -0.619 0.000 0.801 321 A CB -2.716 15.448 19.000 -1.393 0.000 1.031 321 A HN 1.057 nan 8.150 nan 0.000 0.582 322 N N 0.086 118.768 118.700 -0.030 0.000 2.236 322 N HA 0.168 4.878 4.740 -0.050 0.000 0.274 322 N C -0.903 174.583 175.510 -0.041 0.000 1.339 322 N CA -0.112 53.023 53.050 0.142 0.000 0.845 322 N CB 0.519 39.081 38.487 0.125 0.000 1.091 322 N HN 0.242 nan 8.380 nan 0.000 0.489 323 P HA -0.205 nan 4.420 nan 0.000 0.216 323 P C 1.258 178.480 177.300 -0.130 0.000 1.153 323 P CA 1.273 64.209 63.100 -0.273 0.000 0.858 323 P CB 0.161 31.610 31.700 -0.418 0.000 0.789 324 L N -1.291 119.888 121.223 -0.074 0.000 2.027 324 L HA -0.161 4.149 4.340 -0.050 0.000 0.206 324 L C 2.495 179.320 176.870 -0.076 0.000 1.074 324 L CA 1.741 56.545 54.840 -0.061 0.000 0.745 324 L CB -1.176 40.862 42.059 -0.036 0.000 0.898 324 L HN -0.047 nan 8.230 nan 0.000 0.433 325 A N -1.139 121.633 122.820 -0.081 0.000 1.930 325 A HA -0.193 4.097 4.320 -0.050 0.000 0.217 325 A C 2.383 179.891 177.584 -0.126 0.000 1.175 325 A CA 1.574 53.558 52.037 -0.089 0.000 0.627 325 A CB -1.052 17.897 19.000 -0.085 0.000 0.815 325 A HN 0.531 nan 8.150 nan 0.000 0.443 326 C N -1.043 118.155 119.300 -0.170 0.000 2.446 326 C HA 0.071 4.501 4.460 -0.050 0.000 0.277 326 C C 3.319 178.241 174.990 -0.114 0.000 1.275 326 C CA 0.761 59.657 59.018 -0.202 0.000 1.727 326 C CB -1.272 26.311 27.740 -0.261 0.000 2.010 326 C HN 0.704 nan 8.230 nan 0.000 0.486 327 A N -0.241 122.522 122.820 -0.095 0.000 1.877 327 A HA -0.157 4.133 4.320 -0.050 0.000 0.216 327 A C 2.376 179.897 177.584 -0.105 0.000 1.186 327 A CA 2.052 54.042 52.037 -0.078 0.000 0.620 327 A CB -1.046 17.911 19.000 -0.071 0.000 0.822 327 A HN 0.378 nan 8.150 nan 0.000 0.443 328 V N 0.019 119.850 119.914 -0.139 0.000 2.407 328 V HA -0.191 3.899 4.120 -0.050 0.000 0.248 328 V C 2.580 178.562 176.094 -0.187 0.000 1.055 328 V CA 2.730 64.901 62.300 -0.216 0.000 1.049 328 V CB -0.481 31.158 31.823 -0.306 0.000 0.662 328 V HN 0.583 nan 8.190 nan 0.000 0.455 329 S N -0.388 115.234 115.700 -0.130 0.000 2.368 329 S HA -0.166 4.274 4.470 -0.050 0.000 0.225 329 S C 1.896 176.456 174.600 -0.067 0.000 1.030 329 S CA 1.535 59.673 58.200 -0.105 0.000 0.999 329 S CB -0.267 62.892 63.200 -0.068 0.000 0.844 329 S HN 0.480 nan 8.310 nan 0.000 0.459 330 V N 2.351 122.239 119.914 -0.044 0.000 2.252 330 V HA -0.288 3.801 4.120 -0.050 0.000 0.249 330 V C 2.735 178.806 176.094 -0.038 0.000 1.056 330 V CA 1.932 64.226 62.300 -0.011 0.000 1.022 330 V CB -1.346 30.475 31.823 -0.003 0.000 0.641 330 V HN 0.562 nan 8.190 nan 0.000 0.445 331 A N -0.772 121.999 122.820 -0.081 0.000 1.883 331 A HA -0.284 4.006 4.320 -0.050 0.000 0.217 331 A C 2.570 180.065 177.584 -0.148 0.000 1.186 331 A CA 2.545 54.513 52.037 -0.115 0.000 0.624 331 A CB -0.955 17.953 19.000 -0.152 0.000 0.822 331 A HN 0.507 nan 8.150 nan 0.000 0.444 332 S N -0.857 114.756 115.700 -0.145 0.000 2.368 332 S HA -0.128 4.312 4.470 -0.050 0.000 0.225 332 S C 1.909 176.519 174.600 0.018 0.000 1.030 332 S CA 1.690 59.842 58.200 -0.080 0.000 0.999 332 S CB -0.491 62.677 63.200 -0.054 0.000 0.844 332 S HN 0.303 nan 8.310 nan 0.000 0.459 333 V N 1.736 121.647 119.914 -0.005 0.000 2.358 333 V HA -0.110 3.979 4.120 -0.050 0.000 0.246 333 V C 2.454 178.592 176.094 0.072 0.000 1.047 333 V CA 2.022 64.365 62.300 0.072 0.000 1.035 333 V CB -0.762 31.135 31.823 0.124 0.000 0.658 333 V HN 0.531 nan 8.190 nan 0.000 0.452 334 E N -0.091 120.127 120.200 0.030 0.000 2.110 334 E HA -0.203 4.117 4.350 -0.050 0.000 0.193 334 E C 2.274 178.876 176.600 0.003 0.000 0.988 334 E CA 1.121 57.536 56.400 0.026 0.000 0.804 334 E CB -0.177 29.528 29.700 0.009 0.000 0.745 334 E HN 0.454 nan 8.360 nan 0.000 0.458 335 L N 0.842 122.014 121.223 -0.085 0.000 2.042 335 L HA -0.205 4.105 4.340 -0.050 0.000 0.210 335 L C 2.461 179.312 176.870 -0.030 0.000 1.076 335 L CA 0.931 55.657 54.840 -0.191 0.000 0.749 335 L CB -0.133 41.555 42.059 -0.617 0.000 0.893 335 L HN 0.225 nan 8.230 nan 0.000 0.432 336 L N -0.561 120.733 121.223 0.119 0.000 2.027 336 L HA -0.204 4.105 4.340 -0.050 0.000 0.206 336 L C 2.212 179.230 176.870 0.247 0.000 1.074 336 L CA 1.563 56.569 54.840 0.276 0.000 0.745 336 L CB -0.489 41.706 42.059 0.227 0.000 0.898 336 L HN 0.120 nan 8.230 nan 0.000 0.433 337 L N -0.143 121.185 121.223 0.175 0.000 2.201 337 L HA 0.025 4.335 4.340 -0.050 0.000 0.212 337 L C 2.244 179.249 176.870 0.226 0.000 1.105 337 L CA 1.632 56.607 54.840 0.224 0.000 0.775 337 L CB -1.786 40.362 42.059 0.149 0.000 0.913 337 L HN 0.413 nan 8.230 nan 0.000 0.440 338 G N -1.025 107.869 108.800 0.157 0.000 3.233 338 G HA2 0.120 4.050 3.960 -0.050 0.000 0.227 338 G HA3 0.120 4.050 3.960 -0.050 0.000 0.227 338 G C 0.446 175.416 174.900 0.116 0.000 1.175 338 G CA -0.134 45.034 45.100 0.113 0.000 0.781 338 G HN 0.465 nan 8.290 nan 0.000 0.542 339 Q N -0.889 119.013 119.800 0.170 0.000 2.528 339 Q HA 0.373 4.683 4.340 -0.050 0.000 0.289 339 Q C -1.613 174.465 176.000 0.129 0.000 1.091 339 Q CA -0.964 54.924 55.803 0.142 0.000 0.797 339 Q CB 1.406 30.243 28.738 0.165 0.000 1.466 339 Q HN -0.095 nan 8.270 nan 0.000 0.436 340 D N 1.945 122.364 120.400 0.032 0.000 2.551 340 D HA 0.019 4.629 4.640 -0.050 0.000 0.223 340 D C 0.615 176.835 176.300 -0.133 0.000 1.144 340 D CA -0.403 53.527 54.000 -0.116 0.000 1.025 340 D CB -0.232 40.500 40.800 -0.112 0.000 1.085 340 D HN 0.700 nan 8.370 nan 0.000 0.506 341 W N 2.888 124.189 121.300 0.002 0.000 2.425 341 W HA -0.087 4.541 4.660 -0.053 0.000 0.277 341 W C 1.513 177.978 176.519 -0.090 0.000 1.231 341 W CA -0.142 57.185 57.345 -0.030 0.000 1.248 341 W CB -0.623 28.833 29.460 -0.007 0.000 1.117 341 W HN 0.274 nan 8.180 nan 0.000 0.568 342 R N 0.985 120.889 120.500 -0.994 0.000 2.075 342 R HA -0.105 4.204 4.340 -0.050 0.000 0.232 342 R C 2.353 178.457 176.300 -0.327 0.000 1.126 342 R CA 2.515 58.123 56.100 -0.819 0.000 0.963 342 R CB -0.582 29.035 30.300 -1.139 0.000 0.858 342 R HN -0.008 nan 8.270 nan 0.000 0.435 343 T N 0.474 114.858 114.554 -0.284 0.000 2.746 343 T HA -0.161 4.159 4.350 -0.050 0.000 0.267 343 T C 1.710 176.356 174.700 -0.091 0.000 1.039 343 T CA 1.625 63.633 62.100 -0.153 0.000 1.142 343 T CB -0.248 68.545 68.868 -0.125 0.000 0.866 343 T HN 0.237 nan 8.240 nan 0.000 0.444 344 R N 0.960 121.419 120.500 -0.068 0.000 2.081 344 R HA 0.000 4.310 4.340 -0.050 0.000 0.235 344 R C 2.154 178.421 176.300 -0.055 0.000 1.131 344 R CA 1.300 57.387 56.100 -0.022 0.000 0.960 344 R CB -0.613 29.709 30.300 0.036 0.000 0.856 344 R HN 0.278 nan 8.270 nan 0.000 0.436 345 I N 0.235 120.751 120.570 -0.090 0.000 2.353 345 I HA -0.159 3.981 4.170 -0.050 0.000 0.248 345 I C 1.794 177.869 176.117 -0.070 0.000 1.119 345 I CA 1.477 62.703 61.300 -0.123 0.000 1.417 345 I CB -1.339 36.591 38.000 -0.116 0.000 1.078 345 I HN 0.227 nan 8.210 nan 0.000 0.421 346 T N 0.806 115.322 114.554 -0.063 0.000 2.720 346 T HA -0.185 4.135 4.350 -0.050 0.000 0.268 346 T C 1.788 176.465 174.700 -0.040 0.000 1.037 346 T CA 1.408 63.476 62.100 -0.053 0.000 1.144 346 T CB -0.171 68.658 68.868 -0.064 0.000 0.864 346 T HN 0.414 nan 8.240 nan 0.000 0.444 347 E N 0.596 120.775 120.200 -0.035 0.000 2.072 347 E HA -0.026 4.294 4.350 -0.050 0.000 0.191 347 E C 2.221 178.816 176.600 -0.008 0.000 0.985 347 E CA 0.760 57.150 56.400 -0.017 0.000 0.801 347 E CB -0.254 29.441 29.700 -0.008 0.000 0.750 347 E HN 0.398 nan 8.360 nan 0.000 0.452 348 L N 0.605 121.822 121.223 -0.009 0.000 2.046 348 L HA -0.183 4.127 4.340 -0.050 0.000 0.208 348 L C 2.562 179.430 176.870 -0.003 0.000 1.077 348 L CA 1.034 55.876 54.840 0.004 0.000 0.747 348 L CB -0.414 41.651 42.059 0.010 0.000 0.896 348 L HN 0.146 nan 8.230 nan 0.000 0.432 349 A N -0.039 122.770 122.820 -0.019 0.000 1.902 349 A HA -0.198 4.092 4.320 -0.050 0.000 0.217 349 A C 2.530 180.105 177.584 -0.014 0.000 1.181 349 A CA 1.790 53.813 52.037 -0.023 0.000 0.623 349 A CB -0.788 18.188 19.000 -0.041 0.000 0.818 349 A HN 0.403 nan 8.150 nan 0.000 0.443 350 A N -0.496 122.316 122.820 -0.014 0.000 1.902 350 A HA 0.097 4.387 4.320 -0.050 0.000 0.217 350 A C 2.422 180.005 177.584 -0.002 0.000 1.181 350 A CA 2.007 54.039 52.037 -0.009 0.000 0.623 350 A CB -1.413 17.580 19.000 -0.011 0.000 0.818 350 A HN 0.748 nan 8.150 nan 0.000 0.443 351 G N -0.195 108.606 108.800 0.002 0.000 2.418 351 G HA2 -0.165 3.765 3.960 -0.050 0.000 0.217 351 G HA3 -0.165 3.765 3.960 -0.050 0.000 0.217 351 G C 1.567 176.471 174.900 0.008 0.000 1.158 351 G CA 1.045 46.150 45.100 0.008 0.000 0.771 351 G HN 0.434 nan 8.290 nan 0.000 0.545 352 L N 0.401 121.629 121.223 0.008 0.000 2.017 352 L HA -0.102 4.208 4.340 -0.050 0.000 0.208 352 L C 3.230 180.107 176.870 0.012 0.000 1.073 352 L CA 1.653 56.500 54.840 0.011 0.000 0.745 352 L CB -0.930 41.139 42.059 0.016 0.000 0.894 352 L HN 0.177 nan 8.230 nan 0.000 0.432 353 T N -0.022 114.537 114.554 0.009 0.000 2.684 353 T HA -0.219 4.101 4.350 -0.050 0.000 0.267 353 T C 1.980 176.684 174.700 0.006 0.000 1.036 353 T CA 1.526 63.631 62.100 0.008 0.000 1.148 353 T CB -0.307 68.563 68.868 0.003 0.000 0.863 353 T HN 0.459 nan 8.240 nan 0.000 0.436 354 A N 1.246 124.069 122.820 0.004 0.000 1.930 354 A HA 0.186 4.476 4.320 -0.050 0.000 0.217 354 A C 2.630 180.216 177.584 0.004 0.000 1.175 354 A CA 1.698 53.737 52.037 0.003 0.000 0.627 354 A CB -1.241 17.761 19.000 0.003 0.000 0.815 354 A HN 0.519 nan 8.150 nan 0.000 0.443 355 G N -0.611 108.192 108.800 0.005 0.000 2.443 355 G HA2 -0.014 3.916 3.960 -0.050 0.000 0.219 355 G HA3 -0.014 3.916 3.960 -0.050 0.000 0.219 355 G C 1.359 176.261 174.900 0.002 0.000 1.131 355 G CA 0.899 46.001 45.100 0.004 0.000 0.775 355 G HN 0.435 nan 8.290 nan 0.000 0.547 356 L N -0.002 121.223 121.223 0.004 0.000 2.585 356 L HA 0.182 4.492 4.340 -0.050 0.000 0.226 356 L C 2.074 178.944 176.870 0.001 0.000 1.113 356 L CA 0.225 55.067 54.840 0.003 0.000 0.876 356 L CB 0.177 42.242 42.059 0.009 0.000 1.072 356 L HN 0.119 nan 8.230 nan 0.000 0.468 357 D N 0.418 120.819 120.400 0.001 0.000 2.116 357 D HA -0.231 4.379 4.640 -0.050 0.000 0.193 357 D C 1.972 178.270 176.300 -0.003 0.000 0.998 357 D CA 1.806 55.806 54.000 -0.001 0.000 0.836 357 D CB 0.238 41.038 40.800 -0.000 0.000 0.951 357 D HN 0.008 nan 8.370 nan 0.000 0.449 358 T N -0.749 113.804 114.554 -0.003 0.000 2.849 358 T HA -0.140 4.179 4.350 -0.050 0.000 0.270 358 T C 1.775 176.471 174.700 -0.007 0.000 1.066 358 T CA 1.252 63.349 62.100 -0.005 0.000 1.130 358 T CB -0.466 68.400 68.868 -0.003 0.000 0.864 358 T HN 0.323 nan 8.240 nan 0.000 0.481 359 A N 1.351 124.166 122.820 -0.008 0.000 2.070 359 A HA -0.082 4.208 4.320 -0.050 0.000 0.220 359 A C 2.300 179.875 177.584 -0.014 0.000 1.159 359 A CA 1.139 53.169 52.037 -0.012 0.000 0.656 359 A CB -0.410 18.582 19.000 -0.013 0.000 0.800 359 A HN 0.444 nan 8.150 nan 0.000 0.453 360 R N -0.528 119.965 120.500 -0.013 0.000 2.105 360 R HA -0.122 4.188 4.340 -0.050 0.000 0.239 360 R C 2.124 178.415 176.300 -0.015 0.000 1.135 360 R CA 1.266 57.358 56.100 -0.015 0.000 0.967 360 R CB -0.370 29.923 30.300 -0.012 0.000 0.861 360 R HN 0.494 nan 8.270 nan 0.000 0.442 361 A N 0.761 123.573 122.820 -0.012 0.000 2.208 361 A HA 0.112 4.402 4.320 -0.050 0.000 0.209 361 A C 0.811 178.387 177.584 -0.013 0.000 1.161 361 A CA 0.026 52.056 52.037 -0.011 0.000 0.782 361 A CB -0.045 18.950 19.000 -0.009 0.000 0.816 361 A HN 0.086 nan 8.150 nan 0.000 0.477 362 L N 0.648 121.862 121.223 -0.014 0.000 2.426 362 L HA 0.142 4.452 4.340 -0.050 0.000 0.271 362 L C -0.890 175.970 176.870 -0.017 0.000 1.169 362 L CA -1.560 53.271 54.840 -0.015 0.000 0.836 362 L CB 0.698 42.747 42.059 -0.017 0.000 1.112 362 L HN 0.135 nan 8.230 nan 0.000 0.465 363 P HA -0.167 nan 4.420 nan 0.000 0.216 363 P C 0.798 178.086 177.300 -0.020 0.000 1.150 363 P CA 1.201 64.291 63.100 -0.017 0.000 0.837 363 P CB 0.236 31.927 31.700 -0.014 0.000 0.786 364 A N -0.580 122.226 122.820 -0.022 0.000 2.275 364 A HA 0.216 4.506 4.320 -0.050 0.000 0.212 364 A C 0.876 178.441 177.584 -0.032 0.000 1.201 364 A CA 0.042 52.063 52.037 -0.026 0.000 0.843 364 A CB -0.396 18.588 19.000 -0.026 0.000 0.873 364 A HN 0.050 nan 8.150 nan 0.000 0.492 365 V N 1.234 121.130 119.914 -0.031 0.000 2.406 365 V HA 0.222 4.312 4.120 -0.050 0.000 0.272 365 V C 1.582 177.653 176.094 -0.038 0.000 1.043 365 V CA 0.618 62.896 62.300 -0.036 0.000 0.915 365 V CB 1.049 32.854 31.823 -0.031 0.000 0.988 365 V HN 0.629 nan 8.190 nan 0.000 0.466 366 T N 0.051 114.576 114.554 -0.049 0.000 3.023 366 T HA 0.175 4.495 4.350 -0.050 0.000 0.249 366 T C 0.251 174.918 174.700 -0.055 0.000 1.050 366 T CA 0.353 62.423 62.100 -0.050 0.000 1.088 366 T CB 0.283 69.117 68.868 -0.057 0.000 0.946 366 T HN 0.578 nan 8.240 nan 0.000 0.480 367 D N -0.577 119.785 120.400 -0.063 0.000 2.717 367 D HA 0.530 5.140 4.640 -0.050 0.000 0.223 367 D C -1.870 174.395 176.300 -0.059 0.000 1.240 367 D CA -0.500 53.460 54.000 -0.066 0.000 0.801 367 D CB 2.414 43.157 40.800 -0.095 0.000 1.556 367 D HN 0.027 nan 8.370 nan 0.000 0.462 368 V N 3.113 123.001 119.914 -0.043 0.000 2.531 368 V HA 0.727 4.817 4.120 -0.050 0.000 0.301 368 V C -0.490 175.598 176.094 -0.009 0.000 1.034 368 V CA -0.624 61.662 62.300 -0.024 0.000 0.865 368 V CB 1.682 33.500 31.823 -0.009 0.000 0.995 368 V HN 0.665 nan 8.190 nan 0.000 0.424 369 R N 3.202 123.710 120.500 0.013 0.000 2.707 369 R HA 0.926 5.236 4.340 -0.050 0.000 0.272 369 R C -2.270 174.180 176.300 0.251 0.000 1.011 369 R CA -0.833 55.328 56.100 0.102 0.000 0.893 369 R CB 2.350 32.653 30.300 0.004 0.000 1.233 369 R HN 0.312 nan 8.270 nan 0.000 0.464 370 V N 1.245 121.335 119.914 0.294 0.000 2.686 370 V HA 0.485 4.575 4.120 -0.050 0.000 0.306 370 V C -1.133 174.932 176.094 -0.048 0.000 1.065 370 V CA -0.807 61.591 62.300 0.162 0.000 0.894 370 V CB 1.838 33.692 31.823 0.052 0.000 1.004 370 V HN 0.963 nan 8.190 nan 0.000 0.424 371 C N 4.974 124.079 119.300 -0.325 0.000 2.407 371 C HA 0.764 5.193 4.460 -0.050 0.000 0.328 371 C C 1.131 175.935 174.990 -0.310 0.000 1.137 371 C CA 0.592 59.270 59.018 -0.568 0.000 1.390 371 C CB -0.427 26.519 27.740 -1.323 0.000 1.989 371 C HN 1.649 nan 8.230 nan 0.000 0.432 372 G N 4.576 113.265 108.800 -0.184 0.000 2.611 372 G HA2 -0.068 3.862 3.960 -0.050 0.000 0.301 372 G HA3 -0.068 3.862 3.960 -0.050 0.000 0.301 372 G C 0.720 175.576 174.900 -0.073 0.000 1.233 372 G CA 0.233 45.273 45.100 -0.100 0.000 0.993 372 G HN 2.172 nan 8.290 nan 0.000 0.553 373 A N 0.023 122.815 122.820 -0.046 0.000 3.105 373 A HA 0.653 4.943 4.320 -0.050 0.000 0.272 373 A C 0.385 177.982 177.584 0.023 0.000 1.466 373 A CA 0.240 52.283 52.037 0.011 0.000 1.101 373 A CB -0.625 18.423 19.000 0.079 0.000 1.065 373 A HN 0.739 nan 8.150 nan 0.000 0.643 374 I N 0.120 120.684 120.570 -0.010 0.000 2.478 374 I HA 0.489 4.628 4.170 -0.050 0.000 0.287 374 I C 0.310 176.483 176.117 0.094 0.000 1.042 374 I CA -0.529 60.787 61.300 0.028 0.000 1.067 374 I CB 2.299 40.292 38.000 -0.012 0.000 1.233 374 I HN 0.271 nan 8.210 nan 0.000 0.431 375 G N 5.572 114.443 108.800 0.120 0.000 2.544 375 G HA2 0.678 4.608 3.960 -0.050 0.000 0.313 375 G HA3 0.678 4.608 3.960 -0.050 0.000 0.313 375 G C -1.222 173.769 174.900 0.152 0.000 1.316 375 G CA -0.432 44.739 45.100 0.119 0.000 0.944 375 G HN 0.308 nan 8.290 nan 0.000 0.489 376 V N 3.556 123.547 119.914 0.127 0.000 2.577 376 V HA 0.436 4.526 4.120 -0.050 0.000 0.303 376 V C -0.345 175.759 176.094 0.016 0.000 1.042 376 V CA -0.610 61.739 62.300 0.082 0.000 0.872 376 V CB 1.754 33.568 31.823 -0.014 0.000 0.998 376 V HN 0.694 nan 8.190 nan 0.000 0.423 377 I N 3.802 124.380 120.570 0.013 0.000 2.328 377 I HA 0.395 4.534 4.170 -0.050 0.000 0.287 377 I C 0.228 176.312 176.117 -0.054 0.000 1.012 377 I CA -0.189 61.097 61.300 -0.022 0.000 1.195 377 I CB 1.372 39.363 38.000 -0.015 0.000 1.350 377 I HN 0.681 nan 8.210 nan 0.000 0.464 378 E N 5.978 126.128 120.200 -0.083 0.000 2.200 378 E HA 0.374 4.694 4.350 -0.050 0.000 0.283 378 E C -1.125 175.424 176.600 -0.086 0.000 1.015 378 E CA -0.516 55.818 56.400 -0.110 0.000 0.819 378 E CB 1.101 30.719 29.700 -0.137 0.000 1.081 378 E HN 0.626 nan 8.360 nan 0.000 0.397 379 C N 2.688 121.936 119.300 -0.087 0.000 2.407 379 C HA 0.241 4.671 4.460 -0.050 0.000 0.366 379 C C 0.924 175.874 174.990 -0.066 0.000 1.213 379 C CA -0.597 58.381 59.018 -0.067 0.000 2.011 379 C CB 1.070 28.774 27.740 -0.060 0.000 2.306 379 C HN 0.913 nan 8.230 nan 0.000 0.527 380 D N -0.161 120.208 120.400 -0.051 0.000 2.339 380 D HA 0.041 4.650 4.640 -0.050 0.000 0.217 380 D C 0.511 176.786 176.300 -0.041 0.000 1.050 380 D CA 0.182 54.154 54.000 -0.046 0.000 0.856 380 D CB 0.122 40.901 40.800 -0.037 0.000 0.922 380 D HN 0.749 nan 8.370 nan 0.000 0.518 381 R N -1.427 119.047 120.500 -0.044 0.000 2.734 381 R HA 0.561 4.871 4.340 -0.050 0.000 0.271 381 R C -3.324 172.951 176.300 -0.043 0.000 1.021 381 R CA -1.815 54.263 56.100 -0.036 0.000 0.893 381 R CB -0.029 30.256 30.300 -0.026 0.000 1.244 381 R HN -0.308 nan 8.270 nan 0.000 0.464 382 P HA 0.003 nan 4.420 nan 0.000 0.265 382 P C -0.459 176.826 177.300 -0.025 0.000 1.193 382 P CA -0.264 62.819 63.100 -0.028 0.000 0.765 382 P CB 0.551 32.252 31.700 0.002 0.000 0.823 383 V N 3.645 123.539 119.914 -0.034 0.000 2.508 383 V HA 0.043 4.132 4.120 -0.050 0.000 0.281 383 V C 0.718 176.803 176.094 -0.014 0.000 1.041 383 V CA 0.055 62.337 62.300 -0.029 0.000 1.016 383 V CB 0.579 32.379 31.823 -0.038 0.000 0.984 383 V HN 0.514 nan 8.190 nan 0.000 0.478 384 D N 4.100 124.493 120.400 -0.011 0.000 2.352 384 D HA 0.104 4.714 4.640 -0.050 0.000 0.245 384 D C 0.722 177.015 176.300 -0.013 0.000 1.224 384 D CA -0.277 53.722 54.000 -0.001 0.000 0.879 384 D CB 1.333 42.134 40.800 0.001 0.000 1.057 384 D HN 0.325 nan 8.370 nan 0.000 0.491 385 L N 4.408 125.624 121.223 -0.012 0.000 2.127 385 L HA -0.105 4.205 4.340 -0.050 0.000 0.211 385 L C 2.292 179.149 176.870 -0.021 0.000 1.089 385 L CA 1.637 56.457 54.840 -0.032 0.000 0.757 385 L CB -0.616 41.423 42.059 -0.033 0.000 0.899 385 L HN 0.582 nan 8.230 nan 0.000 0.434 386 A N -2.044 120.776 122.820 0.000 0.000 2.172 386 A HA -0.047 4.243 4.320 -0.050 0.000 0.216 386 A C 2.199 179.781 177.584 -0.003 0.000 1.154 386 A CA 1.481 53.521 52.037 0.005 0.000 0.701 386 A CB -0.383 18.626 19.000 0.014 0.000 0.789 386 A HN 0.253 nan 8.150 nan 0.000 0.465 387 V N -1.228 118.679 119.914 -0.011 0.000 2.581 387 V HA 0.022 4.111 4.120 -0.050 0.000 0.240 387 V C 2.903 178.981 176.094 -0.027 0.000 1.054 387 V CA 1.251 63.543 62.300 -0.014 0.000 1.076 387 V CB -0.752 31.063 31.823 -0.013 0.000 0.748 387 V HN 0.507 nan 8.190 nan 0.000 0.474 388 A N 0.271 123.065 122.820 -0.042 0.000 1.877 388 A HA -0.213 4.076 4.320 -0.050 0.000 0.216 388 A C 2.357 179.889 177.584 -0.087 0.000 1.186 388 A CA 2.676 54.673 52.037 -0.067 0.000 0.620 388 A CB -1.009 17.941 19.000 -0.083 0.000 0.822 388 A HN 0.495 nan 8.150 nan 0.000 0.443 389 T N 0.667 115.168 114.554 -0.090 0.000 2.643 389 T HA -0.088 4.232 4.350 -0.050 0.000 0.264 389 T C -0.175 174.510 174.700 -0.024 0.000 1.045 389 T CA 1.756 63.797 62.100 -0.099 0.000 1.155 389 T CB -1.249 67.584 68.868 -0.059 0.000 0.863 389 T HN 0.477 nan 8.240 nan 0.000 0.420 390 P HA 0.009 nan 4.420 nan 0.000 0.218 390 P C 1.383 178.689 177.300 0.010 0.000 1.149 390 P CA 1.305 64.418 63.100 0.021 0.000 0.817 390 P CB -0.206 31.503 31.700 0.017 0.000 0.785 391 A N 0.514 123.329 122.820 -0.009 0.000 1.898 391 A HA -0.011 4.279 4.320 -0.050 0.000 0.216 391 A C 2.467 180.043 177.584 -0.014 0.000 1.181 391 A CA 2.036 54.067 52.037 -0.011 0.000 0.620 391 A CB -1.446 17.542 19.000 -0.020 0.000 0.819 391 A HN 0.230 nan 8.150 nan 0.000 0.442 392 A N -0.392 122.407 122.820 -0.035 0.000 1.929 392 A HA 0.075 4.364 4.320 -0.050 0.000 0.216 392 A C 2.129 179.718 177.584 0.008 0.000 1.176 392 A CA 1.251 53.264 52.037 -0.040 0.000 0.628 392 A CB -0.518 18.418 19.000 -0.106 0.000 0.816 392 A HN 0.447 nan 8.150 nan 0.000 0.444 393 L N -0.366 120.880 121.223 0.039 0.000 2.083 393 L HA -0.179 4.131 4.340 -0.050 0.000 0.209 393 L C 1.769 178.679 176.870 0.066 0.000 1.083 393 L CA 1.243 56.134 54.840 0.086 0.000 0.752 393 L CB -0.622 41.506 42.059 0.115 0.000 0.899 393 L HN 0.275 nan 8.230 nan 0.000 0.433 394 D N 0.058 120.485 120.400 0.044 0.000 2.265 394 D HA -0.162 4.448 4.640 -0.050 0.000 0.208 394 D C 1.757 178.082 176.300 0.041 0.000 0.977 394 D CA 1.046 55.069 54.000 0.038 0.000 0.871 394 D CB -0.048 40.766 40.800 0.024 0.000 0.925 394 D HN 0.074 nan 8.370 nan 0.000 0.485 395 R N -0.906 119.617 120.500 0.039 0.000 2.468 395 R HA 0.327 4.637 4.340 -0.050 0.000 0.280 395 R C 0.893 177.229 176.300 0.061 0.000 0.963 395 R CA 0.265 56.389 56.100 0.040 0.000 1.083 395 R CB 0.296 30.607 30.300 0.017 0.000 1.200 395 R HN 0.061 nan 8.270 nan 0.000 0.541 396 G N -0.120 108.732 108.800 0.088 0.000 2.176 396 G HA2 -0.230 3.699 3.960 -0.050 0.000 0.252 396 G HA3 -0.230 3.699 3.960 -0.050 0.000 0.252 396 G C -0.330 174.614 174.900 0.073 0.000 1.024 396 G CA 0.384 45.567 45.100 0.139 0.000 0.755 396 G HN 0.160 nan 8.290 nan 0.000 0.507 397 V N 0.207 120.148 119.914 0.045 0.000 2.808 397 V HA 0.592 4.682 4.120 -0.050 0.000 0.308 397 V C -0.142 175.995 176.094 0.072 0.000 1.099 397 V CA -1.157 61.141 62.300 -0.004 0.000 0.920 397 V CB 2.174 33.962 31.823 -0.060 0.000 1.014 397 V HN 0.387 nan 8.190 nan 0.000 0.425 398 W N 6.711 127.944 121.300 -0.112 0.000 2.342 398 W HA 0.681 5.315 4.660 -0.044 0.000 0.310 398 W C -1.950 174.498 176.519 -0.119 0.000 1.128 398 W CA -0.450 56.831 57.345 -0.106 0.000 1.322 398 W CB 0.992 30.384 29.460 -0.114 0.000 1.251 398 W HN 0.460 nan 8.180 nan 0.000 0.439 399 L N 6.508 127.271 121.223 -0.767 0.000 2.362 399 L HA 0.494 4.804 4.340 -0.050 0.000 0.271 399 L C -0.176 176.114 176.870 -0.967 0.000 1.002 399 L CA -0.989 53.433 54.840 -0.698 0.000 0.818 399 L CB 2.604 44.430 42.059 -0.388 0.000 1.298 399 L HN 0.365 nan 8.230 nan 0.000 0.420 400 R N 3.664 123.746 120.500 -0.696 0.000 2.415 400 R HA 0.431 4.741 4.340 -0.050 0.000 0.292 400 R C -2.643 173.610 176.300 -0.080 0.000 1.295 400 R CA -1.340 54.485 56.100 -0.458 0.000 1.137 400 R CB 1.208 31.273 30.300 -0.391 0.000 1.135 400 R HN 0.214 nan 8.270 nan 0.000 0.560 401 P HA 0.151 nan 4.420 nan 0.000 0.272 401 P C -1.175 176.316 177.300 0.319 0.000 1.230 401 P CA -0.044 63.160 63.100 0.173 0.000 0.788 401 P CB 0.368 32.083 31.700 0.024 0.000 0.949 402 F N -1.389 118.638 119.950 0.128 0.000 2.601 402 F HA 0.697 5.200 4.527 -0.041 0.000 0.309 402 F C 0.617 176.430 175.800 0.022 0.000 1.089 402 F CA -1.301 56.724 58.000 0.042 0.000 0.940 402 F CB 1.383 40.424 39.000 0.069 0.000 1.273 402 F HN 0.280 nan 8.300 nan 0.000 0.450 403 R N 0.807 121.260 120.500 -0.079 0.000 3.772 403 R HA -0.307 4.003 4.340 -0.050 0.000 0.480 403 R C 0.294 176.485 176.300 -0.181 0.000 0.241 403 R CA 1.847 57.854 56.100 -0.156 0.000 1.508 403 R CB -1.217 28.924 30.300 -0.266 0.000 0.956 403 R HN 0.967 nan 8.270 nan 0.000 0.583 404 N N 2.058 120.620 118.700 -0.229 0.000 2.295 404 N HA 0.138 4.848 4.740 -0.050 0.000 0.221 404 N C -0.454 174.940 175.510 -0.193 0.000 1.129 404 N CA 0.299 53.249 53.050 -0.167 0.000 0.836 404 N CB 0.166 38.574 38.487 -0.132 0.000 1.040 404 N HN 0.281 nan 8.380 nan 0.000 0.494 405 L N 0.462 121.523 121.223 -0.271 0.000 2.305 405 L HA 0.482 4.792 4.340 -0.050 0.000 0.284 405 L C -0.528 176.344 176.870 0.003 0.000 1.013 405 L CA -1.114 53.602 54.840 -0.207 0.000 0.819 405 L CB 2.278 44.072 42.059 -0.442 0.000 1.227 405 L HN -0.229 nan 8.230 nan 0.000 0.417 406 V N 4.049 123.986 119.914 0.037 0.000 2.333 406 V HA 0.427 4.516 4.120 -0.050 0.000 0.274 406 V C -0.690 175.495 176.094 0.152 0.000 1.028 406 V CA -0.543 61.802 62.300 0.076 0.000 0.851 406 V CB 0.482 32.303 31.823 -0.005 0.000 1.000 406 V HN 0.638 nan 8.190 nan 0.000 0.456 407 Y N 3.107 123.409 120.300 0.003 0.000 2.597 407 Y HA 0.942 5.459 4.550 -0.055 0.000 0.340 407 Y C -0.555 175.361 175.900 0.027 0.000 1.097 407 Y CA -1.428 56.685 58.100 0.021 0.000 1.037 407 Y CB 1.669 40.163 38.460 0.056 0.000 1.305 407 Y HN 0.673 nan 8.280 nan 0.000 0.463 408 A N 3.752 126.505 122.820 -0.112 0.000 2.498 408 A HA 0.855 5.145 4.320 -0.050 0.000 0.298 408 A C -1.253 176.307 177.584 -0.039 0.000 1.075 408 A CA -1.124 50.801 52.037 -0.187 0.000 0.714 408 A CB 1.563 20.500 19.000 -0.106 0.000 1.299 408 A HN 0.778 nan 8.150 nan 0.000 0.407 409 M N 2.119 121.695 119.600 -0.040 0.000 2.073 409 M HA 0.259 4.709 4.480 -0.050 0.000 0.218 409 M C -2.947 173.389 176.300 0.061 0.000 0.949 409 M CA -1.300 54.010 55.300 0.016 0.000 0.722 409 M CB 0.914 33.484 32.600 -0.050 0.000 1.762 409 M HN 0.272 nan 8.290 nan 0.000 0.348 410 P HA 0.361 nan 4.420 nan 0.000 0.274 410 P C -2.498 174.845 177.300 0.071 0.000 1.237 410 P CA -1.085 62.042 63.100 0.046 0.000 0.793 410 P CB -0.272 31.448 31.700 0.033 0.000 0.977 411 P HA -0.065 nan 4.420 nan 0.000 0.266 411 P C 0.393 177.775 177.300 0.137 0.000 1.193 411 P CA 0.522 63.606 63.100 -0.027 0.000 0.770 411 P CB -0.002 31.688 31.700 -0.017 0.000 0.836 412 Y N 1.726 122.034 120.300 0.014 0.000 2.509 412 Y HA -0.042 4.477 4.550 -0.052 0.000 0.293 412 Y C 1.871 177.824 175.900 0.088 0.000 1.133 412 Y CA 0.485 58.614 58.100 0.047 0.000 1.283 412 Y CB -1.363 37.126 38.460 0.047 0.000 1.001 412 Y HN 0.322 nan 8.280 nan 0.000 0.555 413 I N -3.597 117.118 120.570 0.241 0.000 3.564 413 I HA 0.101 4.241 4.170 -0.050 0.000 0.294 413 I C 0.424 176.639 176.117 0.163 0.000 1.289 413 I CA -0.429 60.997 61.300 0.210 0.000 1.325 413 I CB -0.899 37.235 38.000 0.224 0.000 1.039 413 I HN -0.147 nan 8.210 nan 0.000 0.474 414 C N 3.326 122.706 119.300 0.133 0.000 2.634 414 C HA 0.212 4.641 4.460 -0.050 0.000 0.418 414 C C 1.628 176.679 174.990 0.102 0.000 1.373 414 C CA -0.031 59.046 59.018 0.097 0.000 1.756 414 C CB -0.430 27.342 27.740 0.053 0.000 2.589 414 C HN 0.625 nan 8.230 nan 0.000 0.602 415 T N 2.185 116.804 114.554 0.109 0.000 2.828 415 T HA 0.179 4.499 4.350 -0.050 0.000 0.290 415 T C -1.657 173.088 174.700 0.074 0.000 1.019 415 T CA -1.139 61.019 62.100 0.097 0.000 1.031 415 T CB 0.561 69.494 68.868 0.110 0.000 1.001 415 T HN 0.426 nan 8.240 nan 0.000 0.531 416 P HA -0.125 nan 4.420 nan 0.000 0.217 416 P C 1.601 178.930 177.300 0.048 0.000 1.151 416 P CA 1.720 64.848 63.100 0.046 0.000 0.849 416 P CB -0.289 31.434 31.700 0.039 0.000 0.787 417 A N -0.477 122.380 122.820 0.062 0.000 1.930 417 A HA -0.201 4.088 4.320 -0.050 0.000 0.217 417 A C 2.129 179.757 177.584 0.074 0.000 1.175 417 A CA 1.515 53.593 52.037 0.068 0.000 0.627 417 A CB -1.020 18.029 19.000 0.082 0.000 0.815 417 A HN 0.182 nan 8.150 nan 0.000 0.443 418 E N -0.266 119.985 120.200 0.084 0.000 2.072 418 E HA -0.130 4.190 4.350 -0.050 0.000 0.191 418 E C 1.842 178.443 176.600 0.002 0.000 0.985 418 E CA 0.948 57.380 56.400 0.054 0.000 0.801 418 E CB -0.189 29.545 29.700 0.058 0.000 0.750 418 E HN 0.484 nan 8.360 nan 0.000 0.452 419 I N 1.291 121.871 120.570 0.016 0.000 2.163 419 I HA -0.247 3.892 4.170 -0.050 0.000 0.243 419 I C 2.284 178.402 176.117 0.003 0.000 1.085 419 I CA 1.607 62.910 61.300 0.006 0.000 1.347 419 I CB -1.480 36.532 38.000 0.020 0.000 1.044 419 I HN 0.122 nan 8.210 nan 0.000 0.408 420 T N 0.158 114.721 114.554 0.015 0.000 2.867 420 T HA -0.217 4.103 4.350 -0.050 0.000 0.268 420 T C 1.830 176.537 174.700 0.011 0.000 1.057 420 T CA 1.208 63.316 62.100 0.013 0.000 1.136 420 T CB -0.194 68.686 68.868 0.021 0.000 0.874 420 T HN 0.403 nan 8.240 nan 0.000 0.466 421 Q N 0.435 120.244 119.800 0.016 0.000 2.084 421 Q HA -0.066 4.244 4.340 -0.050 0.000 0.202 421 Q C 2.202 178.191 176.000 -0.018 0.000 0.978 421 Q CA 1.276 57.087 55.803 0.013 0.000 0.844 421 Q CB -0.281 28.478 28.738 0.035 0.000 0.898 421 Q HN 0.522 nan 8.270 nan 0.000 0.426 422 I N 0.644 121.190 120.570 -0.040 0.000 2.142 422 I HA -0.291 3.849 4.170 -0.050 0.000 0.240 422 I C 2.604 178.696 176.117 -0.043 0.000 1.078 422 I CA 1.744 63.009 61.300 -0.059 0.000 1.343 422 I CB -0.572 37.386 38.000 -0.070 0.000 1.046 422 I HN 0.428 nan 8.210 nan 0.000 0.405 423 T N -2.425 112.114 114.554 -0.025 0.000 2.788 423 T HA -0.206 4.114 4.350 -0.050 0.000 0.268 423 T C 2.029 176.720 174.700 -0.016 0.000 1.044 423 T CA 1.541 63.631 62.100 -0.018 0.000 1.139 423 T CB -0.617 68.248 68.868 -0.006 0.000 0.867 423 T HN 0.310 nan 8.240 nan 0.000 0.454 424 S N 1.711 117.405 115.700 -0.010 0.000 2.368 424 S HA 0.007 4.447 4.470 -0.050 0.000 0.225 424 S C 2.459 177.052 174.600 -0.013 0.000 1.030 424 S CA 1.296 59.492 58.200 -0.006 0.000 0.999 424 S CB -0.952 62.250 63.200 0.004 0.000 0.844 424 S HN 0.750 nan 8.310 nan 0.000 0.459 425 A N 1.153 123.961 122.820 -0.020 0.000 1.969 425 A HA 0.061 4.351 4.320 -0.050 0.000 0.218 425 A C 2.245 179.804 177.584 -0.041 0.000 1.169 425 A CA 1.477 53.496 52.037 -0.029 0.000 0.635 425 A CB -0.596 18.381 19.000 -0.038 0.000 0.810 425 A HN 0.648 nan 8.150 nan 0.000 0.445 426 M N -0.859 118.714 119.600 -0.044 0.000 2.099 426 M HA -0.121 4.329 4.480 -0.050 0.000 0.262 426 M C 2.113 178.394 176.300 -0.032 0.000 1.067 426 M CA 1.420 56.693 55.300 -0.046 0.000 1.124 426 M CB -0.502 32.073 32.600 -0.041 0.000 1.353 426 M HN 0.228 nan 8.290 nan 0.000 0.410 427 V N 0.300 120.200 119.914 -0.023 0.000 2.282 427 V HA -0.275 3.815 4.120 -0.050 0.000 0.249 427 V C 2.307 178.390 176.094 -0.019 0.000 1.057 427 V CA 2.177 64.466 62.300 -0.018 0.000 1.032 427 V CB -0.754 31.062 31.823 -0.012 0.000 0.645 427 V HN 0.419 nan 8.190 nan 0.000 0.447 428 E N 0.054 120.243 120.200 -0.018 0.000 2.118 428 E HA -0.166 4.154 4.350 -0.050 0.000 0.195 428 E C 2.039 178.626 176.600 -0.023 0.000 0.992 428 E CA 1.347 57.737 56.400 -0.017 0.000 0.804 428 E CB -0.432 29.260 29.700 -0.013 0.000 0.741 428 E HN 0.404 nan 8.360 nan 0.000 0.458 429 V N 0.434 120.329 119.914 -0.032 0.000 2.307 429 V HA -0.253 3.836 4.120 -0.050 0.000 0.245 429 V C 2.311 178.385 176.094 -0.033 0.000 1.045 429 V CA 1.797 64.074 62.300 -0.038 0.000 1.024 429 V CB -0.921 30.868 31.823 -0.056 0.000 0.651 429 V HN 0.404 nan 8.190 nan 0.000 0.449 430 A N 0.159 122.960 122.820 -0.031 0.000 1.940 430 A HA -0.280 4.010 4.320 -0.050 0.000 0.219 430 A C 2.400 179.970 177.584 -0.023 0.000 1.176 430 A CA 2.153 54.173 52.037 -0.028 0.000 0.631 430 A CB -0.617 18.367 19.000 -0.026 0.000 0.814 430 A HN 0.523 nan 8.150 nan 0.000 0.446 431 R N -0.195 120.293 120.500 -0.020 0.000 2.091 431 R HA -0.084 4.225 4.340 -0.050 0.000 0.238 431 R C 1.756 178.046 176.300 -0.016 0.000 1.136 431 R CA 1.725 57.815 56.100 -0.016 0.000 0.959 431 R CB -0.431 29.861 30.300 -0.013 0.000 0.856 431 R HN 0.506 nan 8.270 nan 0.000 0.437 432 L N 0.550 121.762 121.223 -0.017 0.000 2.362 432 L HA -0.091 4.218 4.340 -0.050 0.000 0.219 432 L C 2.308 179.168 176.870 -0.017 0.000 1.134 432 L CA 0.224 55.055 54.840 -0.016 0.000 0.807 432 L CB -0.114 41.936 42.059 -0.016 0.000 0.927 432 L HN 0.092 nan 8.230 nan 0.000 0.447 433 V N -0.090 119.812 119.914 -0.020 0.000 2.261 433 V HA -0.166 3.924 4.120 -0.050 0.000 0.246 433 V C 1.814 177.897 176.094 -0.019 0.000 1.047 433 V CA 2.023 64.310 62.300 -0.022 0.000 1.015 433 V CB -0.705 31.102 31.823 -0.027 0.000 0.642 433 V HN 0.731 nan 8.190 nan 0.000 0.446 434 G N -0.358 108.432 108.800 -0.018 0.000 2.979 434 G HA2 -0.153 3.776 3.960 -0.050 0.000 0.238 434 G HA3 -0.153 3.776 3.960 -0.050 0.000 0.238 434 G C 0.173 175.065 174.900 -0.014 0.000 1.805 434 G CA 0.526 45.615 45.100 -0.017 0.000 1.389 434 G HN 1.682 nan 8.290 nan 0.000 0.517 435 S N -1.143 114.549 115.700 -0.012 0.000 2.333 435 S HA 0.722 5.162 4.470 -0.050 0.000 0.250 435 S C -0.425 174.169 174.600 -0.009 0.000 0.959 435 S CA 0.565 58.759 58.200 -0.010 0.000 1.037 435 S CB 1.145 64.340 63.200 -0.009 0.000 1.215 435 S HN 2.257 nan 8.310 nan 0.000 0.410 436 L N 1.626 122.844 121.223 -0.008 0.000 1.264 436 L HA 0.324 4.634 4.340 -0.050 0.000 0.042 436 L C -2.314 174.552 176.870 -0.006 0.000 1.573 436 L CA 1.089 55.924 54.840 -0.008 0.000 1.089 436 L CB -1.952 40.102 42.059 -0.008 0.000 2.158 436 L HN 0.734 nan 8.230 nan 0.000 0.428 437 P HA 0.000 nan 4.420 nan 0.000 0.216 437 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 437 P CB 0.000 31.698 31.700 -0.003 0.000 0.726