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 2ism_1_A DATA FIRST_RESID 20 DATA SEQUENCE GLRVEEVVGG LEVPWALAFL PDGGMLIAER PGRIRLFREG RLSTYAELSV DATA SEQUENCE YHRGESGLLG LALHPRFPQE PYVYAYRTVA EGGLRNQVVR LRHLGERGVL DATA SEQUENCE DRVVLDGIPA RPHGLHSGGR IAFGPDGMLY VTTGEVYERE LAQDLASLGG DATA SEQUENCE KILRLTPEGE PAPGNPFLGR RGARPEVYSL GHRNPQGLAW HPKTGELFSS DATA SEQUENCE EHGPXXXXXX GHDEVNLIVP GGNYGWPRVV GRGNDPRYRD PLYFWPQGFP DATA SEQUENCE PGNLAFFRGD LYVAGLRGQA LLRLVLEGER GRWRVLRVET ALSGFGRLRE DATA SEQUENCE VQVGPDGALY VTTSNRDGRG QVRPGDDRVL RLL 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 20 G HA2 0.000 nan 3.960 nan 0.000 0.244 20 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 20 G C 0.000 174.927 174.900 0.045 0.000 0.946 20 G CA 0.000 45.126 45.100 0.044 0.000 0.502 21 L N 1.110 122.366 121.223 0.055 0.000 2.439 21 L HA 0.652 4.992 4.340 -0.000 0.000 0.261 21 L C 0.314 177.190 176.870 0.010 0.000 1.153 21 L CA -0.915 53.946 54.840 0.035 0.000 0.808 21 L CB 0.882 42.951 42.059 0.017 0.000 1.126 21 L HN 0.271 nan 8.230 nan 0.000 0.460 22 R N 1.337 121.830 120.500 -0.013 0.000 2.534 22 R HA 0.544 4.884 4.340 -0.000 0.000 0.301 22 R C -1.018 175.248 176.300 -0.057 0.000 0.961 22 R CA -0.674 55.416 56.100 -0.017 0.000 0.871 22 R CB 2.058 32.352 30.300 -0.010 0.000 1.170 22 R HN 0.367 nan 8.270 nan 0.000 0.446 23 V N 2.293 122.181 119.914 -0.044 0.000 2.850 23 V HA 0.604 4.724 4.120 -0.000 0.000 0.315 23 V C -0.606 175.443 176.094 -0.075 0.000 1.064 23 V CA -0.405 61.831 62.300 -0.105 0.000 0.979 23 V CB 1.869 33.611 31.823 -0.134 0.000 1.039 23 V HN 0.908 nan 8.190 nan 0.000 0.452 24 E N 3.343 123.463 120.200 -0.133 0.000 2.335 24 E HA 0.411 4.761 4.350 -0.000 0.000 0.280 24 E C -1.239 175.286 176.600 -0.125 0.000 0.918 24 E CA -0.757 55.593 56.400 -0.083 0.000 0.765 24 E CB 1.702 31.365 29.700 -0.062 0.000 1.218 24 E HN 0.714 nan 8.360 nan 0.000 0.425 25 E N 2.324 122.479 120.200 -0.075 0.000 2.313 25 E HA 0.155 4.505 4.350 -0.000 0.000 0.276 25 E C -0.095 176.462 176.600 -0.071 0.000 1.031 25 E CA -0.354 55.991 56.400 -0.093 0.000 0.857 25 E CB 1.452 31.130 29.700 -0.036 0.000 1.040 25 E HN 0.495 nan 8.360 nan 0.000 0.408 26 V N 4.423 124.272 119.914 -0.108 0.000 2.492 26 V HA 0.103 4.223 4.120 -0.000 0.000 0.241 26 V C 0.483 176.410 176.094 -0.279 0.000 1.041 26 V CA 0.439 62.674 62.300 -0.109 0.000 1.057 26 V CB 0.895 32.674 31.823 -0.073 0.000 0.711 26 V HN 0.540 nan 8.190 nan 0.000 0.468 27 V N -1.414 118.287 119.914 -0.355 0.000 3.167 27 V HA 0.831 4.951 4.120 -0.000 0.000 0.293 27 V C -0.484 175.477 176.094 -0.223 0.000 1.379 27 V CA 0.301 62.363 62.300 -0.397 0.000 1.019 27 V CB 1.825 33.095 31.823 -0.922 0.000 1.115 27 V HN 0.369 nan 8.190 nan 0.000 0.442 28 G N 1.509 110.232 108.800 -0.128 0.000 3.176 28 G HA2 0.657 4.617 3.960 -0.000 0.000 0.272 28 G HA3 0.657 4.617 3.960 -0.000 0.000 0.272 28 G C 0.727 175.599 174.900 -0.047 0.000 1.349 28 G CA -0.412 44.644 45.100 -0.074 0.000 0.953 28 G HN 2.212 nan 8.290 nan 0.000 0.559 29 G N -1.466 107.319 108.800 -0.025 0.000 2.153 29 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.252 29 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.252 29 G C 0.324 175.215 174.900 -0.016 0.000 0.994 29 G CA 0.732 45.825 45.100 -0.012 0.000 0.698 29 G HN 0.605 nan 8.290 nan 0.000 0.521 30 L N -0.423 120.783 121.223 -0.028 0.000 2.439 30 L HA 0.621 4.961 4.340 -0.000 0.000 0.259 30 L C 0.764 177.623 176.870 -0.018 0.000 1.129 30 L CA -0.618 54.206 54.840 -0.025 0.000 0.803 30 L CB 1.201 43.234 42.059 -0.043 0.000 1.161 30 L HN 0.193 nan 8.230 nan 0.000 0.462 31 E N 1.055 121.248 120.200 -0.012 0.000 2.183 31 E HA 0.311 4.661 4.350 -0.000 0.000 0.250 31 E C -0.974 175.632 176.600 0.010 0.000 0.901 31 E CA -0.500 55.894 56.400 -0.009 0.000 0.741 31 E CB 0.868 30.555 29.700 -0.023 0.000 1.182 31 E HN 0.428 nan 8.360 nan 0.000 0.425 32 V N 4.314 124.238 119.914 0.017 0.000 6.029 32 V HA -0.170 3.950 4.120 -0.000 0.000 0.242 32 V C -2.197 173.949 176.094 0.086 0.000 0.637 32 V CA 0.567 62.899 62.300 0.054 0.000 0.603 32 V CB -1.491 30.394 31.823 0.102 0.000 0.423 32 V HN 0.736 nan 8.190 nan 0.000 0.520 33 P HA 0.023 nan 4.420 nan 0.000 0.268 33 P C 0.560 177.894 177.300 0.057 0.000 1.282 33 P CA 0.146 63.265 63.100 0.031 0.000 0.880 33 P CB 0.579 32.257 31.700 -0.037 0.000 0.971 34 W N 4.535 125.801 121.300 -0.058 0.000 2.523 34 W HA 0.237 4.897 4.660 0.000 0.000 0.278 34 W C 0.543 177.022 176.519 -0.067 0.000 1.236 34 W CA 1.089 58.401 57.345 -0.056 0.000 1.306 34 W CB 0.585 30.025 29.460 -0.034 0.000 1.101 34 W HN 0.357 nan 8.180 nan 0.000 0.577 35 A N -0.413 122.519 122.820 0.186 0.000 2.606 35 A HA 0.643 4.963 4.320 -0.000 0.000 0.293 35 A C -1.826 175.729 177.584 -0.047 0.000 1.082 35 A CA -0.703 51.380 52.037 0.078 0.000 0.685 35 A CB 0.792 19.909 19.000 0.194 0.000 1.284 35 A HN -0.038 nan 8.150 nan 0.000 0.408 36 L N 0.553 121.690 121.223 -0.143 0.000 2.362 36 L HA 0.845 5.185 4.340 -0.000 0.000 0.271 36 L C 0.103 176.719 176.870 -0.424 0.000 1.002 36 L CA -0.778 53.852 54.840 -0.351 0.000 0.818 36 L CB 2.213 43.959 42.059 -0.521 0.000 1.298 36 L HN 0.940 nan 8.230 nan 0.000 0.420 37 A N 2.329 124.828 122.820 -0.536 0.000 2.359 37 A HA 0.770 5.090 4.320 -0.000 0.000 0.303 37 A C -1.313 175.927 177.584 -0.574 0.000 1.066 37 A CA -0.347 51.436 52.037 -0.424 0.000 0.730 37 A CB 0.687 19.522 19.000 -0.275 0.000 1.211 37 A HN 0.470 nan 8.150 nan 0.000 0.439 38 F N 2.548 122.394 119.950 -0.174 0.000 2.391 38 F HA 0.420 4.947 4.527 -0.000 0.000 0.359 38 F C 0.323 176.025 175.800 -0.162 0.000 1.122 38 F CA -0.341 57.556 58.000 -0.172 0.000 1.120 38 F CB 1.141 40.047 39.000 -0.156 0.000 1.142 38 F HN 0.372 nan 8.300 nan 0.000 0.483 39 L N 6.436 127.649 121.223 -0.016 0.000 2.367 39 L HA 0.170 4.510 4.340 -0.000 0.000 0.275 39 L C -0.999 175.920 176.870 0.083 0.000 1.129 39 L CA -1.517 53.312 54.840 -0.017 0.000 0.839 39 L CB 0.671 42.729 42.059 -0.001 0.000 1.133 39 L HN 0.420 nan 8.230 nan 0.000 0.453 40 P HA -0.216 nan 4.420 nan 0.000 0.218 40 P C 0.615 177.969 177.300 0.090 0.000 1.146 40 P CA 1.408 64.574 63.100 0.111 0.000 0.813 40 P CB 0.057 31.842 31.700 0.141 0.000 0.778 41 D N -1.378 119.084 120.400 0.102 0.000 2.312 41 D HA -0.033 4.607 4.640 -0.000 0.000 0.211 41 D C 1.630 177.968 176.300 0.064 0.000 0.964 41 D CA 1.435 55.482 54.000 0.079 0.000 0.877 41 D CB -0.350 40.506 40.800 0.092 0.000 0.924 41 D HN 0.341 nan 8.370 nan 0.000 0.515 42 G N 0.033 108.875 108.800 0.069 0.000 2.624 42 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.190 42 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.190 42 G C 0.735 175.674 174.900 0.064 0.000 1.008 42 G CA 0.025 45.162 45.100 0.062 0.000 0.731 42 G HN 0.690 nan 8.290 nan 0.000 0.478 43 G N -0.241 108.589 108.800 0.051 0.000 2.647 43 G HA2 0.496 4.456 3.960 -0.000 0.000 0.271 43 G HA3 0.496 4.456 3.960 -0.000 0.000 0.271 43 G C -0.042 174.864 174.900 0.010 0.000 1.300 43 G CA 0.591 45.708 45.100 0.028 0.000 0.997 43 G HN 0.990 nan 8.290 nan 0.000 0.533 44 M N -0.185 119.397 119.600 -0.030 0.000 2.284 44 M HA 0.413 4.893 4.480 -0.000 0.000 0.281 44 M C -1.611 174.586 176.300 -0.171 0.000 1.083 44 M CA -0.517 54.695 55.300 -0.146 0.000 0.965 44 M CB 1.542 34.081 32.600 -0.102 0.000 1.717 44 M HN 0.318 nan 8.290 nan 0.000 0.479 45 L N 5.826 126.874 121.223 -0.290 0.000 2.307 45 L HA 0.621 4.961 4.340 -0.000 0.000 0.282 45 L C -0.873 175.863 176.870 -0.223 0.000 1.051 45 L CA -0.671 54.008 54.840 -0.269 0.000 0.804 45 L CB 1.634 43.471 42.059 -0.370 0.000 1.197 45 L HN 0.679 nan 8.230 nan 0.000 0.431 46 I N 2.604 123.098 120.570 -0.126 0.000 2.447 46 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 46 I C -0.006 176.097 176.117 -0.023 0.000 1.023 46 I CA -0.514 60.731 61.300 -0.091 0.000 1.083 46 I CB 2.001 39.956 38.000 -0.076 0.000 1.245 46 I HN 0.595 nan 8.210 nan 0.000 0.434 47 A N 6.082 128.906 122.820 0.008 0.000 2.309 47 A HA 0.452 4.772 4.320 -0.000 0.000 0.290 47 A C -0.139 177.493 177.584 0.080 0.000 1.206 47 A CA -0.333 51.738 52.037 0.058 0.000 0.850 47 A CB 0.149 19.203 19.000 0.091 0.000 1.118 47 A HN 0.733 nan 8.150 nan 0.000 0.523 48 E N 1.892 122.126 120.200 0.057 0.000 2.156 48 E HA 0.200 4.550 4.350 -0.000 0.000 0.279 48 E C 0.712 177.335 176.600 0.038 0.000 0.965 48 E CA -0.599 55.831 56.400 0.050 0.000 0.789 48 E CB 1.618 31.330 29.700 0.020 0.000 1.098 48 E HN 0.750 nan 8.360 nan 0.000 0.397 49 R N 3.481 124.019 120.500 0.062 0.000 2.133 49 R HA -0.157 4.183 4.340 -0.000 0.000 0.247 49 R C -0.843 175.440 176.300 -0.028 0.000 1.151 49 R CA 1.688 57.795 56.100 0.012 0.000 0.971 49 R CB -0.633 29.709 30.300 0.069 0.000 0.866 49 R HN 0.353 nan 8.270 nan 0.000 0.447 50 P HA -0.001 nan 4.420 nan 0.000 0.226 50 P C 0.107 177.335 177.300 -0.120 0.000 1.146 50 P CA 1.858 64.817 63.100 -0.235 0.000 0.773 50 P CB 0.221 31.761 31.700 -0.267 0.000 0.772 51 G N -1.840 106.944 108.800 -0.026 0.000 2.151 51 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.140 51 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.140 51 G C -0.062 174.855 174.900 0.028 0.000 1.020 51 G CA -0.750 44.363 45.100 0.021 0.000 0.688 51 G HN 0.258 nan 8.290 nan 0.000 0.500 52 R N -0.222 120.292 120.500 0.024 0.000 2.494 52 R HA 0.690 5.030 4.340 -0.000 0.000 0.305 52 R C -0.243 176.097 176.300 0.067 0.000 0.959 52 R CA -0.789 55.338 56.100 0.045 0.000 0.864 52 R CB 1.742 32.060 30.300 0.031 0.000 1.159 52 R HN 0.210 nan 8.270 nan 0.000 0.446 53 I N 3.840 124.476 120.570 0.109 0.000 2.321 53 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 53 I C 0.301 176.508 176.117 0.151 0.000 0.998 53 I CA -0.678 60.701 61.300 0.132 0.000 1.227 53 I CB 0.874 39.010 38.000 0.227 0.000 1.368 53 I HN 0.308 nan 8.210 nan 0.000 0.466 54 R N 4.982 125.535 120.500 0.088 0.000 2.643 54 R HA 0.619 4.959 4.340 -0.000 0.000 0.272 54 R C -0.961 175.384 176.300 0.076 0.000 0.995 54 R CA -1.076 55.083 56.100 0.099 0.000 1.032 54 R CB 2.142 32.485 30.300 0.072 0.000 1.126 54 R HN 0.375 nan 8.270 nan 0.000 0.505 55 L N 1.947 123.242 121.223 0.119 0.000 2.349 55 L HA 0.459 4.799 4.340 -0.000 0.000 0.278 55 L C -1.478 175.479 176.870 0.145 0.000 0.996 55 L CA -0.485 54.408 54.840 0.088 0.000 0.825 55 L CB 1.176 43.316 42.059 0.134 0.000 1.243 55 L HN 0.465 nan 8.230 nan 0.000 0.412 56 F N 5.926 125.857 119.950 -0.031 0.000 2.382 56 F HA 0.658 5.185 4.527 0.000 0.000 0.361 56 F C -0.422 175.374 175.800 -0.006 0.000 1.109 56 F CA -0.333 57.658 58.000 -0.014 0.000 1.031 56 F CB 0.485 39.468 39.000 -0.029 0.000 1.234 56 F HN 0.626 nan 8.300 nan 0.000 0.445 57 R N 4.908 125.174 120.500 -0.391 0.000 2.673 57 R HA 0.279 4.619 4.340 -0.000 0.000 0.281 57 R C -0.521 175.561 176.300 -0.363 0.000 0.991 57 R CA -0.393 55.541 56.100 -0.277 0.000 0.896 57 R CB 1.320 31.562 30.300 -0.096 0.000 1.201 57 R HN 0.808 nan 8.270 nan 0.000 0.457 58 E N 2.363 122.408 120.200 -0.259 0.000 2.199 58 E HA -0.278 4.072 4.350 -0.000 0.000 0.208 58 E C 0.402 176.835 176.600 -0.277 0.000 1.310 58 E CA 0.861 57.144 56.400 -0.195 0.000 0.709 58 E CB -1.950 27.685 29.700 -0.109 0.000 1.127 58 E HN 1.111 nan 8.360 nan 0.000 0.354 59 G N 0.131 108.636 108.800 -0.492 0.000 2.189 59 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.267 59 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.267 59 G C 0.244 174.870 174.900 -0.457 0.000 0.975 59 G CA 0.674 45.507 45.100 -0.444 0.000 0.644 59 G HN 0.698 nan 8.290 nan 0.000 0.537 60 R N -0.325 119.841 120.500 -0.557 0.000 2.514 60 R HA 0.727 5.067 4.340 -0.000 0.000 0.301 60 R C -0.434 175.774 176.300 -0.153 0.000 0.962 60 R CA -0.946 55.014 56.100 -0.234 0.000 0.882 60 R CB 0.757 30.983 30.300 -0.125 0.000 1.143 60 R HN 0.154 nan 8.270 nan 0.000 0.452 61 L N 3.879 125.175 121.223 0.122 0.000 2.282 61 L HA 0.477 4.817 4.340 -0.000 0.000 0.288 61 L C -0.835 176.107 176.870 0.121 0.000 1.033 61 L CA -0.119 54.865 54.840 0.239 0.000 0.807 61 L CB 1.565 43.795 42.059 0.286 0.000 1.209 61 L HN 0.944 nan 8.230 nan 0.000 0.423 62 S N 1.315 117.084 115.700 0.115 0.000 2.638 62 S HA 0.498 4.968 4.470 -0.000 0.000 0.274 62 S C -0.677 173.988 174.600 0.108 0.000 1.157 62 S CA -0.732 57.522 58.200 0.089 0.000 0.826 62 S CB 1.927 65.169 63.200 0.070 0.000 1.139 62 S HN 0.450 nan 8.310 nan 0.000 0.474 63 T N 2.422 117.031 114.554 0.092 0.000 2.728 63 T HA 0.283 4.633 4.350 -0.000 0.000 0.296 63 T C 0.070 174.853 174.700 0.138 0.000 0.940 63 T CA -0.165 61.998 62.100 0.105 0.000 1.013 63 T CB 0.251 69.157 68.868 0.064 0.000 0.912 63 T HN 0.638 nan 8.240 nan 0.000 0.484 64 Y N 3.532 123.857 120.300 0.042 0.000 2.314 64 Y HA 0.448 4.998 4.550 0.000 0.000 0.294 64 Y C 0.690 176.617 175.900 0.045 0.000 1.119 64 Y CA 0.692 58.823 58.100 0.050 0.000 1.179 64 Y CB 0.290 38.791 38.460 0.068 0.000 1.025 64 Y HN 0.732 nan 8.280 nan 0.000 0.541 65 A N -0.031 122.859 122.820 0.117 0.000 2.605 65 A HA 0.492 4.812 4.320 -0.000 0.000 0.294 65 A C -1.552 176.070 177.584 0.063 0.000 1.062 65 A CA -0.733 51.317 52.037 0.022 0.000 0.682 65 A CB 0.960 19.980 19.000 0.033 0.000 1.278 65 A HN 0.209 nan 8.150 nan 0.000 0.410 66 E N 1.348 121.566 120.200 0.031 0.000 2.216 66 E HA 0.641 4.991 4.350 -0.000 0.000 0.260 66 E C -1.573 175.048 176.600 0.035 0.000 0.880 66 E CA -0.380 56.041 56.400 0.036 0.000 0.765 66 E CB 1.031 30.745 29.700 0.024 0.000 1.174 66 E HN 0.605 nan 8.360 nan 0.000 0.417 67 L N 2.525 123.775 121.223 0.045 0.000 2.334 67 L HA 0.433 4.773 4.340 -0.000 0.000 0.273 67 L C 0.228 177.129 176.870 0.053 0.000 1.013 67 L CA -1.036 53.831 54.840 0.044 0.000 0.816 67 L CB 1.927 44.015 42.059 0.049 0.000 1.278 67 L HN 0.428 nan 8.230 nan 0.000 0.431 68 S N 2.433 118.162 115.700 0.048 0.000 2.505 68 S HA 0.506 4.976 4.470 -0.000 0.000 0.276 68 S C -0.446 174.197 174.600 0.073 0.000 1.274 68 S CA -0.586 57.651 58.200 0.061 0.000 1.053 68 S CB 0.281 63.506 63.200 0.042 0.000 0.919 68 S HN 0.477 nan 8.310 nan 0.000 0.490 69 V N 3.503 123.486 119.914 0.115 0.000 3.159 69 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 69 V C -1.439 174.744 176.094 0.147 0.000 1.190 69 V CA -1.218 61.159 62.300 0.128 0.000 1.037 69 V CB 1.463 33.362 31.823 0.127 0.000 1.060 69 V HN 0.795 nan 8.190 nan 0.000 0.437 70 Y N 3.958 124.246 120.300 -0.021 0.000 2.594 70 Y HA 0.614 5.164 4.550 -0.000 0.000 0.342 70 Y C 0.395 176.259 175.900 -0.060 0.000 1.010 70 Y CA -0.766 57.275 58.100 -0.099 0.000 1.270 70 Y CB -0.127 38.289 38.460 -0.074 0.000 1.125 70 Y HN 0.955 nan 8.280 nan 0.000 0.513 71 H N 3.782 122.706 119.070 -0.243 0.000 2.702 71 H HA 0.622 5.178 4.556 -0.000 0.000 0.252 71 H C -0.667 174.468 175.328 -0.323 0.000 1.493 71 H CA -0.685 55.230 56.048 -0.222 0.000 1.273 71 H CB 0.068 29.768 29.762 -0.104 0.000 1.537 71 H HN 0.477 nan 8.280 nan 0.000 0.547 72 R N 1.575 121.830 120.500 -0.408 0.000 2.771 72 R HA 0.507 4.847 4.340 -0.000 0.000 0.274 72 R C 0.373 176.613 176.300 -0.101 0.000 0.987 72 R CA -0.525 55.388 56.100 -0.311 0.000 0.908 72 R CB 2.227 32.196 30.300 -0.552 0.000 1.213 72 R HN 0.788 nan 8.270 nan 0.000 0.468 73 G N 1.651 110.443 108.800 -0.013 0.000 2.591 73 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.298 73 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.298 73 G C 0.217 175.168 174.900 0.087 0.000 1.195 73 G CA 0.623 45.761 45.100 0.063 0.000 0.989 73 G HN 0.702 nan 8.290 nan 0.000 0.551 74 E N 0.707 120.987 120.200 0.133 0.000 2.465 74 E HA 0.399 4.749 4.350 -0.000 0.000 0.195 74 E C 0.642 177.315 176.600 0.122 0.000 1.028 74 E CA 0.297 56.792 56.400 0.160 0.000 0.899 74 E CB 0.607 30.436 29.700 0.216 0.000 1.032 74 E HN 0.298 nan 8.360 nan 0.000 0.468 75 S N -0.015 115.738 115.700 0.089 0.000 2.730 75 S HA 0.773 5.243 4.470 -0.000 0.000 0.284 75 S C 0.552 175.167 174.600 0.025 0.000 1.153 75 S CA -0.117 58.122 58.200 0.065 0.000 0.995 75 S CB 1.569 64.860 63.200 0.152 0.000 1.058 75 S HN 0.409 nan 8.310 nan 0.000 0.552 76 G N -0.254 108.562 108.800 0.027 0.000 2.217 76 G HA2 0.059 4.019 3.960 -0.000 0.000 0.173 76 G HA3 0.059 4.019 3.960 -0.000 0.000 0.173 76 G C -1.745 173.139 174.900 -0.027 0.000 1.324 76 G CA -0.628 44.495 45.100 0.039 0.000 1.225 76 G HN 0.780 nan 8.290 nan 0.000 0.494 77 L N 2.311 123.502 121.223 -0.054 0.000 2.282 77 L HA 0.707 5.047 4.340 -0.000 0.000 0.287 77 L C 0.895 177.622 176.870 -0.238 0.000 1.075 77 L CA -0.081 54.715 54.840 -0.074 0.000 0.839 77 L CB 0.182 42.235 42.059 -0.009 0.000 1.219 77 L HN 0.564 nan 8.230 nan 0.000 0.434 78 L N 3.813 124.812 121.223 -0.373 0.000 2.356 78 L HA 0.471 4.811 4.340 -0.000 0.000 0.193 78 L C 1.224 177.841 176.870 -0.423 0.000 1.087 78 L CA 0.413 54.700 54.840 -0.921 0.000 0.817 78 L CB -0.598 40.608 42.059 -1.422 0.000 1.035 78 L HN 0.698 nan 8.230 nan 0.000 0.482 79 G N 0.043 108.767 108.800 -0.126 0.000 2.441 79 G HA2 0.602 4.562 3.960 -0.000 0.000 0.334 79 G HA3 0.602 4.562 3.960 -0.000 0.000 0.334 79 G C -1.801 173.194 174.900 0.158 0.000 1.161 79 G CA -0.189 45.004 45.100 0.154 0.000 0.935 79 G HN -0.074 nan 8.290 nan 0.000 0.488 80 L N 0.437 121.756 121.223 0.160 0.000 2.482 80 L HA 0.834 5.174 4.340 -0.000 0.000 0.263 80 L C -0.576 176.373 176.870 0.131 0.000 0.957 80 L CA -0.375 54.545 54.840 0.133 0.000 0.836 80 L CB 2.112 44.216 42.059 0.074 0.000 1.324 80 L HN 1.094 nan 8.230 nan 0.000 0.406 81 A N 4.751 127.688 122.820 0.194 0.000 2.532 81 A HA 0.666 4.986 4.320 -0.000 0.000 0.296 81 A C -1.685 176.111 177.584 0.354 0.000 1.058 81 A CA -0.562 51.619 52.037 0.240 0.000 0.729 81 A CB 0.956 20.102 19.000 0.242 0.000 1.285 81 A HN 0.647 nan 8.150 nan 0.000 0.396 82 L N 3.226 124.549 121.223 0.166 0.000 2.436 82 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 82 L C 1.108 178.077 176.870 0.165 0.000 1.168 82 L CA -0.806 54.065 54.840 0.051 0.000 0.815 82 L CB 0.499 42.326 42.059 -0.388 0.000 1.109 82 L HN 0.839 nan 8.230 nan 0.000 0.462 83 H N 3.578 122.778 119.070 0.216 0.000 2.948 83 H HA -0.004 4.552 4.556 0.000 0.000 0.351 83 H C -1.863 173.280 175.328 -0.307 0.000 1.079 83 H CA -1.060 54.951 56.048 -0.061 0.000 1.407 83 H CB 1.433 31.420 29.762 0.375 0.000 1.373 83 H HN 0.333 nan 8.280 nan 0.000 0.605 84 P HA -0.088 nan 4.420 nan 0.000 0.218 84 P C 0.442 177.777 177.300 0.059 0.000 1.148 84 P CA 1.683 64.577 63.100 -0.344 0.000 0.822 84 P CB 0.214 31.633 31.700 -0.469 0.000 0.784 85 R N -1.938 118.788 120.500 0.376 0.000 2.696 85 R HA 0.222 4.562 4.340 -0.000 0.000 0.355 85 R C 0.004 176.394 176.300 0.151 0.000 1.138 85 R CA -0.608 55.616 56.100 0.208 0.000 1.059 85 R CB -0.504 29.880 30.300 0.140 0.000 1.380 85 R HN 0.188 nan 8.270 nan 0.000 0.578 86 F N 3.322 123.307 119.950 0.058 0.000 2.518 86 F HA 0.102 4.629 4.527 0.000 0.000 0.359 86 F C -1.217 174.565 175.800 -0.030 0.000 1.118 86 F CA -1.614 56.383 58.000 -0.006 0.000 1.287 86 F CB 0.938 39.943 39.000 0.008 0.000 1.132 86 F HN -0.008 nan 8.300 nan 0.000 0.587 87 P HA -0.006 nan 4.420 nan 0.000 0.261 87 P C 0.592 177.585 177.300 -0.512 0.000 1.268 87 P CA 0.480 62.931 63.100 -1.083 0.000 0.833 87 P CB 0.425 31.521 31.700 -1.007 0.000 1.231 88 Q N 0.583 120.217 119.800 -0.277 0.000 2.152 88 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 88 Q C 0.757 176.615 176.000 -0.236 0.000 0.985 88 Q CA 1.312 56.998 55.803 -0.196 0.000 0.863 88 Q CB -0.472 28.200 28.738 -0.110 0.000 0.904 88 Q HN 0.303 nan 8.270 nan 0.000 0.422 89 E N 1.005 121.037 120.200 -0.280 0.000 2.103 89 E HA 0.182 4.532 4.350 -0.000 0.000 0.254 89 E C -2.389 173.953 176.600 -0.429 0.000 0.940 89 E CA -2.066 54.115 56.400 -0.365 0.000 0.771 89 E CB 0.938 30.223 29.700 -0.692 0.000 1.153 89 E HN 0.158 nan 8.360 nan 0.000 0.428 90 P HA 0.108 nan 4.420 nan 0.000 0.263 90 P C -1.198 175.708 177.300 -0.655 0.000 1.601 90 P CA -0.014 62.746 63.100 -0.565 0.000 1.161 90 P CB -0.351 31.077 31.700 -0.453 0.000 1.730 91 Y N 0.703 121.212 120.300 0.348 0.000 2.482 91 Y HA 0.331 4.881 4.550 -0.000 0.000 0.334 91 Y C -0.276 175.871 175.900 0.412 0.000 1.091 91 Y CA -1.076 57.208 58.100 0.306 0.000 1.027 91 Y CB 1.961 40.531 38.460 0.182 0.000 1.306 91 Y HN -0.043 nan 8.280 nan 0.000 0.446 92 V N 3.532 123.689 119.914 0.405 0.000 2.487 92 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 92 V C -1.077 175.136 176.094 0.197 0.000 1.028 92 V CA -1.226 61.261 62.300 0.311 0.000 0.860 92 V CB 1.261 33.240 31.823 0.260 0.000 0.991 92 V HN 0.644 nan 8.190 nan 0.000 0.427 93 Y N 2.566 123.024 120.300 0.264 0.000 2.334 93 Y HA 0.746 5.296 4.550 0.000 0.000 0.328 93 Y C 0.511 176.507 175.900 0.159 0.000 1.130 93 Y CA -0.361 57.873 58.100 0.222 0.000 1.163 93 Y CB 1.847 40.461 38.460 0.257 0.000 1.207 93 Y HN 0.746 nan 8.280 nan 0.000 0.471 94 A N 2.902 125.865 122.820 0.238 0.000 2.486 94 A HA 0.530 4.850 4.320 -0.000 0.000 0.300 94 A C -2.288 175.397 177.584 0.169 0.000 1.048 94 A CA -0.671 51.475 52.037 0.182 0.000 0.696 94 A CB 0.819 19.896 19.000 0.129 0.000 1.278 94 A HN 0.757 nan 8.150 nan 0.000 0.405 95 Y N 2.450 122.758 120.300 0.014 0.000 2.330 95 Y HA 0.670 5.220 4.550 0.000 0.000 0.336 95 Y C 0.448 176.299 175.900 -0.081 0.000 1.036 95 Y CA -0.220 57.862 58.100 -0.031 0.000 1.125 95 Y CB 0.899 39.320 38.460 -0.066 0.000 1.194 95 Y HN 0.850 nan 8.280 nan 0.000 0.469 96 R N 2.232 122.677 120.500 -0.092 0.000 2.680 96 R HA 0.566 4.906 4.340 -0.000 0.000 0.269 96 R C -1.742 174.512 176.300 -0.078 0.000 1.026 96 R CA -0.966 55.123 56.100 -0.018 0.000 0.889 96 R CB 1.314 31.610 30.300 -0.007 0.000 1.241 96 R HN 0.487 nan 8.270 nan 0.000 0.463 97 T N 1.890 116.458 114.554 0.022 0.000 2.767 97 T HA 0.462 4.812 4.350 -0.000 0.000 0.288 97 T C 0.022 174.757 174.700 0.058 0.000 0.963 97 T CA -0.602 61.527 62.100 0.048 0.000 1.019 97 T CB 1.192 70.153 68.868 0.156 0.000 0.923 97 T HN 0.513 nan 8.240 nan 0.000 0.468 98 V N 0.017 119.929 119.914 -0.003 0.000 2.914 98 V HA 0.963 5.083 4.120 -0.000 0.000 0.314 98 V C 0.369 176.416 176.094 -0.079 0.000 1.084 98 V CA -0.880 61.416 62.300 -0.007 0.000 0.963 98 V CB 1.507 33.311 31.823 -0.031 0.000 1.025 98 V HN 0.845 nan 8.190 nan 0.000 0.432 99 A N 0.947 123.726 122.820 -0.069 0.000 2.127 99 A HA 0.379 4.699 4.320 -0.000 0.000 0.204 99 A C 0.862 178.389 177.584 -0.094 0.000 1.243 99 A CA 0.043 51.987 52.037 -0.155 0.000 0.887 99 A CB -0.164 18.755 19.000 -0.136 0.000 0.933 99 A HN 0.816 nan 8.150 nan 0.000 0.479 100 E N 0.467 120.638 120.200 -0.048 0.000 2.415 100 E HA 0.334 4.684 4.350 -0.000 0.000 0.260 100 E C 0.978 177.551 176.600 -0.044 0.000 1.016 100 E CA 0.983 57.361 56.400 -0.036 0.000 0.924 100 E CB 0.304 29.993 29.700 -0.018 0.000 0.961 100 E HN 0.783 nan 8.360 nan 0.000 0.459 101 G N 2.486 111.260 108.800 -0.044 0.000 2.176 101 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.253 101 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.253 101 G C 0.509 175.377 174.900 -0.054 0.000 0.979 101 G CA 0.224 45.299 45.100 -0.042 0.000 0.641 101 G HN 1.127 nan 8.290 nan 0.000 0.530 102 G N -1.599 107.157 108.800 -0.073 0.000 2.535 102 G HA2 0.406 4.366 3.960 -0.000 0.000 0.662 102 G HA3 0.406 4.366 3.960 -0.000 0.000 0.662 102 G C -0.714 174.112 174.900 -0.124 0.000 1.417 102 G CA -0.086 44.961 45.100 -0.089 0.000 0.866 102 G HN 1.590 nan 8.290 nan 0.000 0.647 103 L N 3.281 124.404 121.223 -0.166 0.000 2.385 103 L HA 0.858 5.198 4.340 -0.000 0.000 0.281 103 L C 0.692 177.464 176.870 -0.164 0.000 1.106 103 L CA -0.181 54.518 54.840 -0.234 0.000 0.856 103 L CB -0.009 41.841 42.059 -0.348 0.000 1.186 103 L HN 0.994 nan 8.230 nan 0.000 0.453 104 R N 2.726 123.144 120.500 -0.136 0.000 2.741 104 R HA 0.378 4.718 4.340 -0.000 0.000 0.276 104 R C -1.505 174.740 176.300 -0.091 0.000 1.028 104 R CA -0.764 55.281 56.100 -0.092 0.000 0.865 104 R CB 0.489 30.743 30.300 -0.077 0.000 1.268 104 R HN 0.553 nan 8.270 nan 0.000 0.475 105 N N 0.015 118.660 118.700 -0.093 0.000 2.492 105 N HA 0.424 5.164 4.740 -0.000 0.000 0.289 105 N C -0.964 174.364 175.510 -0.304 0.000 1.133 105 N CA -0.439 52.492 53.050 -0.197 0.000 0.961 105 N CB 1.480 39.889 38.487 -0.129 0.000 1.186 105 N HN 0.564 nan 8.380 nan 0.000 0.493 106 Q N -1.144 118.368 119.800 -0.481 0.000 2.575 106 Q HA 0.549 4.889 4.340 -0.000 0.000 0.290 106 Q C -1.937 173.808 176.000 -0.424 0.000 0.963 106 Q CA -0.996 54.590 55.803 -0.361 0.000 0.783 106 Q CB 1.266 29.894 28.738 -0.183 0.000 1.467 106 Q HN 0.204 nan 8.270 nan 0.000 0.402 107 V N 1.611 121.399 119.914 -0.210 0.000 2.347 107 V HA 0.502 4.622 4.120 -0.000 0.000 0.280 107 V C -0.598 175.494 176.094 -0.004 0.000 1.021 107 V CA -0.615 61.649 62.300 -0.061 0.000 0.847 107 V CB 1.291 33.150 31.823 0.061 0.000 0.990 107 V HN 0.598 nan 8.190 nan 0.000 0.444 108 V N 6.596 126.513 119.914 0.005 0.000 2.732 108 V HA 0.686 4.805 4.120 -0.000 0.000 0.310 108 V C -0.152 175.923 176.094 -0.033 0.000 1.053 108 V CA -0.777 61.516 62.300 -0.011 0.000 0.957 108 V CB 2.061 33.876 31.823 -0.012 0.000 1.018 108 V HN 0.934 nan 8.190 nan 0.000 0.452 109 R N 4.542 124.980 120.500 -0.102 0.000 2.562 109 R HA 0.687 5.027 4.340 -0.000 0.000 0.298 109 R C -1.567 174.707 176.300 -0.042 0.000 0.961 109 R CA -0.647 55.318 56.100 -0.224 0.000 0.881 109 R CB 1.476 31.514 30.300 -0.436 0.000 1.159 109 R HN 0.771 nan 8.270 nan 0.000 0.450 110 L N 3.387 124.641 121.223 0.053 0.000 2.334 110 L HA 0.570 4.910 4.340 -0.000 0.000 0.273 110 L C 0.000 177.021 176.870 0.252 0.000 1.013 110 L CA -1.078 53.847 54.840 0.141 0.000 0.816 110 L CB 1.911 44.073 42.059 0.172 0.000 1.278 110 L HN 0.550 nan 8.230 nan 0.000 0.431 111 R N 0.901 121.519 120.500 0.197 0.000 2.234 111 R HA 0.194 4.534 4.340 -0.000 0.000 0.324 111 R C -0.561 175.822 176.300 0.137 0.000 1.054 111 R CA -0.600 55.593 56.100 0.155 0.000 0.912 111 R CB 0.533 30.881 30.300 0.080 0.000 1.030 111 R HN 0.548 nan 8.270 nan 0.000 0.455 112 H N 4.584 123.702 119.070 0.079 0.000 2.767 112 H HA 0.127 4.683 4.556 0.000 0.000 0.316 112 H C -0.044 175.300 175.328 0.027 0.000 1.059 112 H CA 0.160 56.320 56.048 0.187 0.000 1.461 112 H CB 0.657 30.616 29.762 0.328 0.000 1.475 112 H HN 0.625 nan 8.280 nan 0.000 0.531 113 L N 4.816 125.779 121.223 -0.432 0.000 3.069 113 L HA 0.327 4.667 4.340 -0.000 0.000 0.271 113 L C 1.483 178.096 176.870 -0.428 0.000 1.201 113 L CA 0.417 55.032 54.840 -0.376 0.000 1.015 113 L CB 0.286 42.211 42.059 -0.224 0.000 1.371 113 L HN 1.025 nan 8.230 nan 0.000 0.574 114 G N 1.074 109.416 108.800 -0.764 0.000 3.626 114 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.241 114 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.241 114 G C 0.646 175.575 174.900 0.049 0.000 1.824 114 G CA 0.161 45.090 45.100 -0.285 0.000 1.511 114 G HN 0.345 nan 8.290 nan 0.000 0.600 115 E N 0.735 120.956 120.200 0.036 0.000 2.460 115 E HA 0.322 4.672 4.350 -0.000 0.000 0.200 115 E C 0.865 177.525 176.600 0.100 0.000 1.011 115 E CA 0.046 56.535 56.400 0.148 0.000 0.912 115 E CB 0.550 30.287 29.700 0.061 0.000 0.953 115 E HN 0.238 nan 8.360 nan 0.000 0.494 116 R N 0.392 120.782 120.500 -0.184 0.000 2.854 116 R HA 0.649 4.989 4.340 -0.000 0.000 0.271 116 R C -0.236 175.533 176.300 -0.886 0.000 0.994 116 R CA -0.811 54.957 56.100 -0.554 0.000 0.945 116 R CB 1.747 31.873 30.300 -0.289 0.000 1.194 116 R HN 0.085 nan 8.270 nan 0.000 0.476 117 G N 0.129 108.259 108.800 -1.115 0.000 2.617 117 G HA2 0.560 4.520 3.960 -0.000 0.000 0.306 117 G HA3 0.560 4.520 3.960 -0.000 0.000 0.306 117 G C -0.853 173.894 174.900 -0.255 0.000 1.360 117 G CA -0.501 44.246 45.100 -0.589 0.000 0.983 117 G HN 0.372 nan 8.290 nan 0.000 0.496 118 V N 0.378 120.234 119.914 -0.097 0.000 2.960 118 V HA 0.683 4.803 4.120 -0.000 0.000 0.315 118 V C 0.230 176.330 176.094 0.010 0.000 1.087 118 V CA -1.398 60.873 62.300 -0.049 0.000 0.982 118 V CB 1.672 33.463 31.823 -0.053 0.000 1.039 118 V HN 0.690 nan 8.190 nan 0.000 0.437 119 L N 2.217 123.446 121.223 0.010 0.000 2.584 119 L HA 0.124 4.464 4.340 -0.000 0.000 0.272 119 L C 1.111 177.998 176.870 0.029 0.000 1.195 119 L CA 0.503 55.356 54.840 0.021 0.000 0.920 119 L CB 0.091 42.155 42.059 0.010 0.000 1.173 119 L HN 0.982 nan 8.230 nan 0.000 0.489 120 D N 3.053 123.478 120.400 0.041 0.000 2.468 120 D HA 0.077 4.717 4.640 -0.000 0.000 0.243 120 D C 0.382 176.686 176.300 0.007 0.000 0.994 120 D CA 0.504 54.533 54.000 0.049 0.000 0.932 120 D CB 0.591 41.447 40.800 0.094 0.000 1.078 120 D HN 0.597 nan 8.370 nan 0.000 0.473 121 R N -1.634 118.854 120.500 -0.021 0.000 2.825 121 R HA 0.343 4.683 4.340 -0.000 0.000 0.274 121 R C -1.854 174.424 176.300 -0.037 0.000 1.026 121 R CA -0.866 55.217 56.100 -0.028 0.000 0.867 121 R CB 0.541 30.821 30.300 -0.033 0.000 1.268 121 R HN -0.158 nan 8.270 nan 0.000 0.491 122 V N 2.354 122.253 119.914 -0.026 0.000 2.530 122 V HA 0.101 4.221 4.120 -0.000 0.000 0.282 122 V C 1.135 177.222 176.094 -0.012 0.000 1.048 122 V CA -0.257 62.029 62.300 -0.024 0.000 0.997 122 V CB 1.448 33.255 31.823 -0.026 0.000 0.987 122 V HN 0.673 nan 8.190 nan 0.000 0.477 123 V N 4.996 124.915 119.914 0.009 0.000 2.685 123 V HA 0.205 4.325 4.120 -0.000 0.000 0.244 123 V C 0.239 176.357 176.094 0.040 0.000 1.054 123 V CA 0.752 63.082 62.300 0.050 0.000 1.076 123 V CB 0.266 32.178 31.823 0.148 0.000 0.725 123 V HN 0.622 nan 8.190 nan 0.000 0.467 124 L N 0.344 121.576 121.223 0.016 0.000 2.562 124 L HA 0.649 4.989 4.340 -0.000 0.000 0.266 124 L C -1.569 175.278 176.870 -0.038 0.000 0.949 124 L CA -0.112 54.728 54.840 -0.000 0.000 0.879 124 L CB 1.829 43.895 42.059 0.012 0.000 1.278 124 L HN -0.033 nan 8.230 nan 0.000 0.404 125 D N 2.507 122.887 120.400 -0.034 0.000 2.449 125 D HA 0.738 5.378 4.640 -0.000 0.000 0.250 125 D C 0.783 177.057 176.300 -0.042 0.000 1.050 125 D CA 0.741 54.710 54.000 -0.052 0.000 1.024 125 D CB 2.307 43.083 40.800 -0.040 0.000 1.218 125 D HN 0.890 nan 8.370 nan 0.000 0.566 126 G N 0.403 109.174 108.800 -0.049 0.000 2.143 126 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 126 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 126 G C 0.361 175.249 174.900 -0.020 0.000 0.991 126 G CA 0.261 45.341 45.100 -0.032 0.000 0.689 126 G HN 0.432 nan 8.290 nan 0.000 0.522 127 I N 1.354 121.903 120.570 -0.035 0.000 2.529 127 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 127 I C -1.607 174.519 176.117 0.017 0.000 1.082 127 I CA -2.167 59.136 61.300 0.005 0.000 1.406 127 I CB 0.911 38.910 38.000 -0.002 0.000 1.405 127 I HN -0.119 nan 8.210 nan 0.000 0.548 128 P HA 0.085 nan 4.420 nan 0.000 0.264 128 P C -1.015 176.319 177.300 0.057 0.000 1.183 128 P CA 0.199 63.329 63.100 0.050 0.000 0.763 128 P CB 0.629 32.378 31.700 0.081 0.000 0.807 129 A N 3.125 125.952 122.820 0.011 0.000 2.594 129 A HA 0.793 5.113 4.320 -0.000 0.000 0.295 129 A C -1.021 176.509 177.584 -0.091 0.000 1.071 129 A CA -0.615 51.418 52.037 -0.008 0.000 0.685 129 A CB 1.694 20.677 19.000 -0.028 0.000 1.285 129 A HN 0.330 nan 8.150 nan 0.000 0.405 130 R N 0.897 121.294 120.500 -0.173 0.000 2.837 130 R HA 0.483 4.823 4.340 -0.000 0.000 0.271 130 R C -2.387 173.718 176.300 -0.324 0.000 0.993 130 R CA -1.943 53.960 56.100 -0.328 0.000 0.931 130 R CB 1.008 30.961 30.300 -0.577 0.000 1.206 130 R HN 0.369 nan 8.270 nan 0.000 0.474 131 P HA -0.180 nan 4.420 nan 0.000 0.217 131 P C 0.935 178.303 177.300 0.113 0.000 1.148 131 P CA 1.434 64.519 63.100 -0.025 0.000 0.828 131 P CB -0.074 31.612 31.700 -0.023 0.000 0.783 132 H N -2.477 116.658 119.070 0.109 0.000 2.521 132 H HA 0.092 4.648 4.556 0.000 0.000 0.286 132 H C 1.404 176.790 175.328 0.096 0.000 1.034 132 H CA 0.800 56.886 56.048 0.064 0.000 1.278 132 H CB -0.878 28.874 29.762 -0.017 0.000 1.386 132 H HN 0.166 nan 8.280 nan 0.000 0.567 133 G N 1.251 110.159 108.800 0.181 0.000 2.168 133 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 133 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 133 G C 0.106 175.189 174.900 0.306 0.000 0.997 133 G CA 0.582 45.830 45.100 0.248 0.000 0.708 133 G HN 0.395 nan 8.290 nan 0.000 0.520 134 L N -1.305 120.247 121.223 0.547 0.000 2.360 134 L HA 0.521 4.861 4.340 -0.000 0.000 0.271 134 L C 1.191 178.299 176.870 0.396 0.000 1.057 134 L CA -1.013 54.045 54.840 0.364 0.000 0.803 134 L CB 0.718 42.851 42.059 0.123 0.000 1.207 134 L HN 0.435 nan 8.230 nan 0.000 0.445 135 H N 0.446 119.648 119.070 0.219 0.000 2.680 135 H HA -0.152 4.404 4.556 -0.000 0.000 0.328 135 H C 0.396 175.818 175.328 0.158 0.000 1.139 135 H CA 0.175 56.311 56.048 0.145 0.000 1.124 135 H CB -0.832 28.992 29.762 0.104 0.000 1.584 135 H HN 0.624 nan 8.280 nan 0.000 0.410 136 S N -0.205 115.648 115.700 0.254 0.000 2.540 136 S HA 0.228 4.698 4.470 -0.000 0.000 0.218 136 S C 1.777 176.451 174.600 0.122 0.000 0.977 136 S CA 0.436 58.762 58.200 0.209 0.000 0.918 136 S CB 0.971 64.293 63.200 0.203 0.000 0.806 136 S HN 1.016 nan 8.310 nan 0.000 0.496 137 G N 1.783 110.623 108.800 0.066 0.000 2.622 137 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.307 137 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.307 137 G C 0.786 175.538 174.900 -0.246 0.000 1.226 137 G CA 0.306 45.380 45.100 -0.043 0.000 0.997 137 G HN 1.457 nan 8.290 nan 0.000 0.551 138 G N -2.084 106.256 108.800 -0.767 0.000 2.255 138 G HA2 0.099 4.059 3.960 -0.000 0.000 0.196 138 G HA3 0.099 4.059 3.960 -0.000 0.000 0.196 138 G C 0.392 174.929 174.900 -0.605 0.000 0.998 138 G CA 0.982 45.258 45.100 -1.374 0.000 0.656 138 G HN 1.502 nan 8.290 nan 0.000 0.490 139 R N 1.640 122.086 120.500 -0.090 0.000 2.298 139 R HA 0.667 5.007 4.340 -0.000 0.000 0.310 139 R C 0.513 176.823 176.300 0.016 0.000 1.068 139 R CA -0.318 55.847 56.100 0.109 0.000 0.957 139 R CB 0.027 30.371 30.300 0.074 0.000 1.003 139 R HN 0.781 nan 8.270 nan 0.000 0.454 140 I N 0.427 121.039 120.570 0.070 0.000 2.730 140 I HA 0.949 5.119 4.170 -0.000 0.000 0.298 140 I C -1.164 174.982 176.117 0.048 0.000 1.089 140 I CA -1.075 60.254 61.300 0.049 0.000 1.041 140 I CB 2.615 40.653 38.000 0.064 0.000 1.235 140 I HN 0.701 nan 8.210 nan 0.000 0.423 141 A N 3.725 126.550 122.820 0.009 0.000 2.599 141 A HA 0.698 5.018 4.320 -0.000 0.000 0.294 141 A C -1.874 175.703 177.584 -0.011 0.000 1.055 141 A CA -0.482 51.608 52.037 0.087 0.000 0.683 141 A CB 0.979 20.169 19.000 0.318 0.000 1.278 141 A HN 0.613 nan 8.150 nan 0.000 0.412 142 F N 1.408 121.398 119.950 0.066 0.000 2.411 142 F HA 0.547 5.074 4.527 0.000 0.000 0.350 142 F C 1.308 176.874 175.800 -0.390 0.000 1.114 142 F CA 0.763 58.720 58.000 -0.072 0.000 1.135 142 F CB 1.804 40.713 39.000 -0.151 0.000 1.120 142 F HN 0.797 nan 8.300 nan 0.000 0.495 143 G N 2.955 111.495 108.800 -0.433 0.000 2.557 143 G HA2 0.316 4.276 3.960 -0.000 0.000 0.292 143 G HA3 0.316 4.276 3.960 -0.000 0.000 0.292 143 G C -2.023 172.430 174.900 -0.746 0.000 1.237 143 G CA -1.303 42.936 45.100 -1.435 0.000 0.978 143 G HN 0.417 nan 8.290 nan 0.000 0.498 144 P HA -0.018 nan 4.420 nan 0.000 0.225 144 P C 0.803 177.991 177.300 -0.186 0.000 1.148 144 P CA 1.222 64.104 63.100 -0.363 0.000 0.779 144 P CB 0.196 31.717 31.700 -0.297 0.000 0.780 145 D N -2.238 118.072 120.400 -0.151 0.000 2.339 145 D HA 0.105 4.745 4.640 -0.000 0.000 0.217 145 D C 1.430 177.726 176.300 -0.007 0.000 1.050 145 D CA 0.433 54.416 54.000 -0.028 0.000 0.856 145 D CB -0.987 39.842 40.800 0.048 0.000 0.922 145 D HN 0.147 nan 8.370 nan 0.000 0.518 146 G N -0.043 108.739 108.800 -0.029 0.000 2.162 146 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 146 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 146 G C 0.180 175.144 174.900 0.105 0.000 0.976 146 G CA 0.541 45.643 45.100 0.003 0.000 0.655 146 G HN 0.245 nan 8.290 nan 0.000 0.533 147 M N -0.365 119.315 119.600 0.132 0.000 2.444 147 M HA 0.637 5.117 4.480 -0.000 0.000 0.319 147 M C 0.265 176.616 176.300 0.084 0.000 1.183 147 M CA -1.442 53.909 55.300 0.085 0.000 1.032 147 M CB 1.257 33.807 32.600 -0.083 0.000 1.569 147 M HN 0.161 nan 8.290 nan 0.000 0.468 148 L N 2.545 123.665 121.223 -0.173 0.000 2.281 148 L HA 0.340 4.680 4.340 -0.000 0.000 0.285 148 L C -1.591 175.085 176.870 -0.324 0.000 1.074 148 L CA 0.122 54.651 54.840 -0.518 0.000 0.817 148 L CB -0.027 41.650 42.059 -0.636 0.000 1.168 148 L HN 0.413 nan 8.230 nan 0.000 0.434 149 Y N 4.022 124.192 120.300 -0.218 0.000 2.360 149 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 149 Y C -0.202 175.655 175.900 -0.072 0.000 1.039 149 Y CA -0.794 57.259 58.100 -0.078 0.000 1.109 149 Y CB 1.930 40.431 38.460 0.068 0.000 1.201 149 Y HN 0.293 nan 8.280 nan 0.000 0.458 150 V N 2.345 122.309 119.914 0.082 0.000 2.577 150 V HA 0.376 4.496 4.120 -0.000 0.000 0.303 150 V C -0.339 175.799 176.094 0.073 0.000 1.042 150 V CA -0.995 61.358 62.300 0.089 0.000 0.872 150 V CB 2.016 33.921 31.823 0.137 0.000 0.998 150 V HN 0.849 nan 8.190 nan 0.000 0.423 151 T N 0.771 115.328 114.554 0.005 0.000 2.875 151 T HA 0.773 5.123 4.350 -0.000 0.000 0.284 151 T C -0.109 174.579 174.700 -0.020 0.000 0.995 151 T CA -0.345 61.733 62.100 -0.037 0.000 1.060 151 T CB 1.590 70.401 68.868 -0.095 0.000 0.967 151 T HN 0.930 nan 8.240 nan 0.000 0.476 152 T N -0.127 114.455 114.554 0.046 0.000 2.900 152 T HA 0.766 5.116 4.350 -0.000 0.000 0.295 152 T C 0.294 175.053 174.700 0.100 0.000 1.044 152 T CA -0.718 61.452 62.100 0.116 0.000 0.995 152 T CB 1.539 70.518 68.868 0.186 0.000 1.072 152 T HN 1.004 nan 8.240 nan 0.000 0.473 153 G N 0.609 109.483 108.800 0.123 0.000 2.488 153 G HA2 0.527 4.487 3.960 -0.000 0.000 0.318 153 G HA3 0.527 4.487 3.960 -0.000 0.000 0.318 153 G C 0.057 175.064 174.900 0.178 0.000 1.188 153 G CA -0.958 44.212 45.100 0.116 0.000 0.944 153 G HN 0.842 nan 8.290 nan 0.000 0.495 154 E N -0.661 119.660 120.200 0.201 0.000 2.394 154 E HA 0.179 4.529 4.350 -0.000 0.000 0.191 154 E C 1.154 177.928 176.600 0.290 0.000 1.044 154 E CA 0.025 56.572 56.400 0.244 0.000 0.939 154 E CB -0.210 29.662 29.700 0.286 0.000 1.089 154 E HN 1.204 nan 8.360 nan 0.000 0.456 155 V N -2.336 117.776 119.914 0.331 0.000 4.482 155 V HA -0.425 3.695 4.120 -0.000 0.000 0.232 155 V C 0.263 176.638 176.094 0.468 0.000 0.583 155 V CA 1.583 64.115 62.300 0.388 0.000 0.816 155 V CB -2.942 29.034 31.823 0.255 0.000 0.795 155 V HN 0.626 nan 8.190 nan 0.000 1.066 156 Y N -1.612 118.831 120.300 0.239 0.000 4.490 156 Y HA -0.212 4.338 4.550 -0.000 0.000 0.233 156 Y C 0.931 176.927 175.900 0.160 0.000 1.101 156 Y CA 1.512 59.667 58.100 0.093 0.000 2.010 156 Y CB -1.091 37.228 38.460 -0.234 0.000 1.622 156 Y HN 0.859 nan 8.280 nan 0.000 0.675 157 E N 0.338 120.722 120.200 0.308 0.000 3.303 157 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 157 E C 1.026 177.746 176.600 0.200 0.000 1.181 157 E CA -0.102 56.431 56.400 0.222 0.000 0.998 157 E CB 0.376 30.184 29.700 0.181 0.000 1.312 157 E HN 0.453 nan 8.360 nan 0.000 0.412 158 R N 0.980 121.605 120.500 0.208 0.000 2.153 158 R HA -0.227 4.113 4.340 -0.000 0.000 0.252 158 R C 0.969 177.282 176.300 0.022 0.000 1.158 158 R CA 1.246 57.455 56.100 0.181 0.000 0.975 158 R CB -0.156 30.127 30.300 -0.029 0.000 0.871 158 R HN 0.189 nan 8.270 nan 0.000 0.450 159 E N 1.306 121.503 120.200 -0.005 0.000 2.209 159 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 159 E C 2.170 178.783 176.600 0.022 0.000 0.993 159 E CA 0.893 57.277 56.400 -0.026 0.000 0.819 159 E CB -0.224 29.466 29.700 -0.018 0.000 0.745 159 E HN 0.492 nan 8.360 nan 0.000 0.477 160 L N 0.245 121.511 121.223 0.073 0.000 2.127 160 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 160 L C 2.469 179.399 176.870 0.100 0.000 1.089 160 L CA 1.083 55.974 54.840 0.087 0.000 0.757 160 L CB -0.596 41.532 42.059 0.116 0.000 0.899 160 L HN 0.066 nan 8.230 nan 0.000 0.434 161 A N -0.775 122.131 122.820 0.144 0.000 1.978 161 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 161 A C 2.182 179.827 177.584 0.102 0.000 1.170 161 A CA 1.405 53.549 52.037 0.178 0.000 0.636 161 A CB -0.259 18.935 19.000 0.324 0.000 0.810 161 A HN 0.407 nan 8.150 nan 0.000 0.448 162 Q N -0.251 119.576 119.800 0.045 0.000 2.392 162 Q HA 0.023 4.363 4.340 -0.000 0.000 0.203 162 Q C -0.364 175.633 176.000 -0.005 0.000 0.917 162 Q CA 0.195 56.009 55.803 0.018 0.000 0.939 162 Q CB 0.025 28.759 28.738 -0.007 0.000 1.063 162 Q HN 0.596 nan 8.270 nan 0.000 0.516 163 D N 0.697 121.098 120.400 0.001 0.000 2.339 163 D HA 0.083 4.723 4.640 -0.000 0.000 0.241 163 D C 0.852 177.128 176.300 -0.040 0.000 1.183 163 D CA -0.073 53.918 54.000 -0.016 0.000 0.859 163 D CB 0.700 41.503 40.800 0.005 0.000 1.067 163 D HN 0.046 nan 8.370 nan 0.000 0.484 164 L N 2.953 124.118 121.223 -0.097 0.000 2.456 164 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 164 L C 2.045 178.862 176.870 -0.088 0.000 1.148 164 L CA 0.615 55.356 54.840 -0.165 0.000 0.825 164 L CB -0.035 41.845 42.059 -0.299 0.000 0.937 164 L HN 0.429 nan 8.230 nan 0.000 0.450 165 A N -1.645 121.148 122.820 -0.044 0.000 2.218 165 A HA 0.052 4.372 4.320 -0.000 0.000 0.209 165 A C 1.192 178.779 177.584 0.006 0.000 1.168 165 A CA 0.240 52.268 52.037 -0.015 0.000 0.804 165 A CB 0.014 19.009 19.000 -0.009 0.000 0.834 165 A HN 0.252 nan 8.150 nan 0.000 0.482 166 S N -0.831 114.876 115.700 0.013 0.000 2.509 166 S HA 0.566 5.036 4.470 -0.000 0.000 0.297 166 S C 0.588 175.221 174.600 0.055 0.000 1.118 166 S CA -0.639 57.583 58.200 0.037 0.000 1.074 166 S CB 0.807 64.037 63.200 0.049 0.000 1.038 166 S HN 0.295 nan 8.310 nan 0.000 0.498 167 L N 3.499 124.761 121.223 0.066 0.000 2.599 167 L HA 0.268 4.608 4.340 -0.000 0.000 0.230 167 L C 1.459 178.398 176.870 0.114 0.000 1.141 167 L CA -0.027 54.864 54.840 0.086 0.000 0.877 167 L CB -0.534 41.569 42.059 0.074 0.000 1.009 167 L HN 0.735 nan 8.230 nan 0.000 0.447 168 G N -1.198 107.671 108.800 0.115 0.000 2.420 168 G HA2 0.415 4.375 3.960 -0.000 0.000 0.284 168 G HA3 0.415 4.375 3.960 -0.000 0.000 0.284 168 G C 0.803 175.803 174.900 0.166 0.000 1.177 168 G CA 0.242 45.428 45.100 0.143 0.000 0.841 168 G HN 0.230 nan 8.290 nan 0.000 0.527 169 G N 0.447 109.358 108.800 0.185 0.000 2.272 169 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 169 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 169 G C 0.257 175.331 174.900 0.290 0.000 1.067 169 G CA 0.626 45.863 45.100 0.228 0.000 0.902 169 G HN 0.704 nan 8.290 nan 0.000 0.500 170 K N -0.962 119.589 120.400 0.251 0.000 2.399 170 K HA 0.742 5.062 4.320 -0.000 0.000 0.260 170 K C -0.242 176.460 176.600 0.170 0.000 1.049 170 K CA -0.964 55.504 56.287 0.302 0.000 0.890 170 K CB 1.832 34.469 32.500 0.228 0.000 1.430 170 K HN 0.150 nan 8.250 nan 0.000 0.459 171 I N 2.397 123.085 120.570 0.198 0.000 2.447 171 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 171 I C -0.566 175.686 176.117 0.224 0.000 1.023 171 I CA -0.773 60.603 61.300 0.126 0.000 1.083 171 I CB 1.338 39.397 38.000 0.098 0.000 1.245 171 I HN 0.208 nan 8.210 nan 0.000 0.434 172 L N 5.975 127.283 121.223 0.143 0.000 2.334 172 L HA 0.665 5.005 4.340 -0.000 0.000 0.270 172 L C -0.153 176.678 176.870 -0.065 0.000 1.018 172 L CA -0.835 54.068 54.840 0.105 0.000 0.811 172 L CB 1.779 43.890 42.059 0.087 0.000 1.271 172 L HN 0.520 nan 8.230 nan 0.000 0.443 173 R N 1.968 122.390 120.500 -0.130 0.000 2.514 173 R HA 0.747 5.087 4.340 -0.000 0.000 0.296 173 R C -1.776 174.393 176.300 -0.219 0.000 1.012 173 R CA -0.418 55.422 56.100 -0.432 0.000 0.897 173 R CB 1.322 31.189 30.300 -0.722 0.000 1.184 173 R HN 0.593 nan 8.270 nan 0.000 0.440 174 L N 1.350 122.441 121.223 -0.219 0.000 2.303 174 L HA 0.614 4.954 4.340 -0.000 0.000 0.256 174 L C 0.430 177.253 176.870 -0.078 0.000 1.034 174 L CA -1.179 53.602 54.840 -0.097 0.000 0.832 174 L CB 2.141 44.170 42.059 -0.050 0.000 1.403 174 L HN 0.671 nan 8.230 nan 0.000 0.419 175 T N -3.704 110.843 114.554 -0.012 0.000 2.847 175 T HA 0.302 4.652 4.350 -0.000 0.000 0.279 175 T C -2.122 172.616 174.700 0.064 0.000 0.984 175 T CA -1.670 60.444 62.100 0.024 0.000 0.988 175 T CB 1.158 70.050 68.868 0.039 0.000 1.040 175 T HN 0.338 nan 8.240 nan 0.000 0.528 176 P HA -0.010 nan 4.420 nan 0.000 0.223 176 P C 1.083 178.529 177.300 0.243 0.000 1.144 176 P CA 0.712 63.897 63.100 0.141 0.000 0.783 176 P CB 0.097 31.773 31.700 -0.039 0.000 0.771 177 E N -1.819 118.474 120.200 0.156 0.000 2.479 177 E HA 0.156 4.506 4.350 -0.000 0.000 0.193 177 E C 1.500 178.161 176.600 0.102 0.000 1.049 177 E CA 0.572 57.047 56.400 0.125 0.000 0.870 177 E CB -0.245 29.505 29.700 0.084 0.000 0.944 177 E HN 0.189 nan 8.360 nan 0.000 0.492 178 G N 2.389 111.250 108.800 0.101 0.000 2.176 178 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.232 178 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.232 178 G C 0.188 175.115 174.900 0.045 0.000 0.986 178 G CA 0.419 45.563 45.100 0.072 0.000 0.643 178 G HN 0.416 nan 8.290 nan 0.000 0.522 179 E N 0.851 121.076 120.200 0.042 0.000 2.349 179 E HA 0.586 4.936 4.350 -0.000 0.000 0.265 179 E C -2.625 173.992 176.600 0.027 0.000 1.064 179 E CA -2.117 54.304 56.400 0.034 0.000 0.886 179 E CB 0.958 30.679 29.700 0.035 0.000 1.036 179 E HN 0.134 nan 8.360 nan 0.000 0.413 180 P HA -0.015 nan 4.420 nan 0.000 0.264 180 P C -0.841 176.475 177.300 0.026 0.000 1.193 180 P CA 0.318 63.439 63.100 0.035 0.000 0.763 180 P CB 0.704 32.436 31.700 0.053 0.000 0.810 181 A N 6.366 129.189 122.820 0.006 0.000 2.520 181 A HA 0.242 4.562 4.320 -0.000 0.000 0.245 181 A C -2.015 175.586 177.584 0.029 0.000 1.072 181 A CA -0.912 51.124 52.037 -0.002 0.000 0.761 181 A CB -1.111 17.854 19.000 -0.058 0.000 1.004 181 A HN 0.405 nan 8.150 nan 0.000 0.499 182 P HA 0.248 nan 4.420 nan 0.000 0.265 182 P C 1.060 178.388 177.300 0.046 0.000 1.193 182 P CA 1.845 64.967 63.100 0.036 0.000 0.765 182 P CB 0.662 32.381 31.700 0.033 0.000 0.823 183 G N 1.671 110.496 108.800 0.043 0.000 2.176 183 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.253 183 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.253 183 G C 0.313 175.244 174.900 0.052 0.000 0.979 183 G CA -0.367 44.760 45.100 0.044 0.000 0.641 183 G HN 0.610 nan 8.290 nan 0.000 0.530 184 N N 1.278 120.017 118.700 0.065 0.000 2.395 184 N HA 0.213 4.953 4.740 -0.000 0.000 0.246 184 N C -0.341 175.142 175.510 -0.044 0.000 1.246 184 N CA -0.551 52.547 53.050 0.081 0.000 0.879 184 N CB 1.139 39.696 38.487 0.116 0.000 1.098 184 N HN 0.137 nan 8.380 nan 0.000 0.444 185 P HA -0.131 nan 4.420 nan 0.000 0.218 185 P C -0.055 176.830 177.300 -0.691 0.000 1.149 185 P CA 1.555 64.324 63.100 -0.551 0.000 0.817 185 P CB 0.087 31.255 31.700 -0.886 0.000 0.785 186 F N -1.542 118.426 119.950 0.029 0.000 2.855 186 F HA 0.225 4.752 4.527 -0.000 0.000 0.317 186 F C 1.699 177.518 175.800 0.032 0.000 1.169 186 F CA -0.507 57.509 58.000 0.028 0.000 1.299 186 F CB -0.436 38.584 39.000 0.034 0.000 0.962 186 F HN -0.280 nan 8.300 nan 0.000 0.506 187 L N 0.439 121.729 121.223 0.112 0.000 2.046 187 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 187 L C 2.107 179.026 176.870 0.081 0.000 1.077 187 L CA 1.442 56.336 54.840 0.090 0.000 0.747 187 L CB -0.871 41.220 42.059 0.052 0.000 0.896 187 L HN 0.277 nan 8.230 nan 0.000 0.432 188 G N -0.976 107.866 108.800 0.070 0.000 4.420 188 G HA2 0.348 4.308 3.960 -0.000 0.000 0.299 188 G HA3 0.348 4.308 3.960 -0.000 0.000 0.299 188 G C -0.158 174.790 174.900 0.079 0.000 1.343 188 G CA -0.274 44.863 45.100 0.060 0.000 1.272 188 G HN 0.039 nan 8.290 nan 0.000 0.610 189 R N 0.645 121.211 120.500 0.109 0.000 2.473 189 R HA 0.353 4.693 4.340 -0.000 0.000 0.303 189 R C 0.168 176.515 176.300 0.078 0.000 1.002 189 R CA -0.929 55.242 56.100 0.118 0.000 0.884 189 R CB 0.620 31.052 30.300 0.220 0.000 1.173 189 R HN 0.291 nan 8.270 nan 0.000 0.464 190 R N 2.639 123.170 120.500 0.052 0.000 2.570 190 R HA 0.259 4.599 4.340 -0.000 0.000 0.277 190 R C 0.208 176.521 176.300 0.022 0.000 1.039 190 R CA 1.618 57.738 56.100 0.033 0.000 1.065 190 R CB 0.285 30.600 30.300 0.025 0.000 0.964 190 R HN 0.888 nan 8.270 nan 0.000 0.428 191 G N 1.673 110.482 108.800 0.015 0.000 2.176 191 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 191 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 191 G C -0.317 174.574 174.900 -0.015 0.000 1.024 191 G CA 0.227 45.327 45.100 0.001 0.000 0.755 191 G HN 0.930 nan 8.290 nan 0.000 0.507 192 A N -0.220 122.598 122.820 -0.002 0.000 2.398 192 A HA 0.817 5.137 4.320 -0.000 0.000 0.301 192 A C 0.221 177.819 177.584 0.023 0.000 1.041 192 A CA -0.765 51.256 52.037 -0.026 0.000 0.711 192 A CB 1.218 20.191 19.000 -0.045 0.000 1.240 192 A HN 0.274 nan 8.150 nan 0.000 0.420 193 R N 3.217 123.727 120.500 0.017 0.000 2.421 193 R HA 0.180 4.520 4.340 -0.000 0.000 0.305 193 R C -1.743 174.617 176.300 0.100 0.000 1.039 193 R CA -1.896 54.235 56.100 0.052 0.000 1.003 193 R CB 0.471 30.800 30.300 0.049 0.000 0.959 193 R HN 0.558 nan 8.270 nan 0.000 0.427 194 P HA -0.111 nan 4.420 nan 0.000 0.225 194 P C 0.030 177.414 177.300 0.140 0.000 1.148 194 P CA 1.016 64.195 63.100 0.131 0.000 0.779 194 P CB 0.481 32.236 31.700 0.092 0.000 0.780 195 E N -0.329 119.942 120.200 0.117 0.000 2.347 195 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 195 E C 0.609 177.309 176.600 0.166 0.000 1.008 195 E CA 0.105 56.571 56.400 0.110 0.000 0.852 195 E CB -0.536 29.211 29.700 0.078 0.000 0.783 195 E HN 0.076 nan 8.360 nan 0.000 0.505 196 V N 1.918 121.963 119.914 0.217 0.000 2.540 196 V HA -0.128 3.992 4.120 -0.000 0.000 0.297 196 V C 0.369 176.722 176.094 0.432 0.000 1.024 196 V CA 0.581 63.060 62.300 0.299 0.000 1.105 196 V CB 0.377 32.346 31.823 0.242 0.000 0.938 196 V HN 0.207 nan 8.190 nan 0.000 0.482 197 Y N 3.840 124.292 120.300 0.253 0.000 2.539 197 Y HA 0.228 4.778 4.550 0.000 0.000 0.284 197 Y C 1.267 177.369 175.900 0.337 0.000 1.134 197 Y CA 0.687 58.925 58.100 0.231 0.000 1.251 197 Y CB 0.716 39.270 38.460 0.157 0.000 1.260 197 Y HN 0.732 nan 8.280 nan 0.000 0.528 198 S N 0.638 116.615 115.700 0.461 0.000 2.579 198 S HA 0.677 5.147 4.470 -0.000 0.000 0.272 198 S C -1.147 173.759 174.600 0.510 0.000 1.141 198 S CA -0.612 57.884 58.200 0.493 0.000 0.843 198 S CB 1.919 65.492 63.200 0.623 0.000 1.122 198 S HN 0.385 nan 8.310 nan 0.000 0.468 199 L N -1.784 119.679 121.223 0.400 0.000 2.194 199 L HA 0.982 5.322 4.340 -0.000 0.000 0.248 199 L C 0.562 177.443 176.870 0.019 0.000 1.071 199 L CA -0.535 54.455 54.840 0.250 0.000 0.901 199 L CB 0.735 42.873 42.059 0.132 0.000 1.497 199 L HN 1.524 nan 8.230 nan 0.000 0.442 200 G N 0.076 108.908 108.800 0.054 0.000 2.225 200 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.264 200 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.264 200 G C -0.214 174.680 174.900 -0.009 0.000 1.060 200 G CA 0.167 45.295 45.100 0.046 0.000 0.833 200 G HN 0.880 nan 8.290 nan 0.000 0.498 201 H N -1.191 118.041 119.070 0.270 0.000 2.479 201 H HA 0.466 5.022 4.556 0.000 0.000 0.335 201 H C 1.173 176.536 175.328 0.059 0.000 1.142 201 H CA -0.141 55.993 56.048 0.144 0.000 1.234 201 H CB 1.765 31.571 29.762 0.074 0.000 1.503 201 H HN 0.267 nan 8.280 nan 0.000 0.510 202 R N 0.891 121.251 120.500 -0.234 0.000 2.062 202 R HA 0.004 4.344 4.340 -0.000 0.000 0.218 202 R C -0.307 175.668 176.300 -0.540 0.000 1.161 202 R CA 0.559 56.173 56.100 -0.811 0.000 0.994 202 R CB 0.472 29.832 30.300 -1.566 0.000 0.888 202 R HN 0.485 nan 8.270 nan 0.000 0.442 203 N N -0.033 118.401 118.700 -0.443 0.000 2.503 203 N HA 0.345 5.085 4.740 -0.000 0.000 0.287 203 N C -3.083 172.331 175.510 -0.159 0.000 1.096 203 N CA -1.759 51.101 53.050 -0.316 0.000 0.936 203 N CB 2.832 41.030 38.487 -0.482 0.000 1.570 203 N HN -0.046 nan 8.380 nan 0.000 0.504 204 P HA 0.384 nan 4.420 nan 0.000 0.308 204 P C -1.606 175.645 177.300 -0.081 0.000 1.592 204 P CA -0.351 62.684 63.100 -0.109 0.000 1.233 204 P CB 1.752 33.329 31.700 -0.204 0.000 1.160 205 Q N 1.947 121.701 119.800 -0.076 0.000 3.048 205 Q HA 0.594 4.934 4.340 -0.000 0.000 0.337 205 Q C -0.305 175.615 176.000 -0.133 0.000 0.845 205 Q CA -0.396 55.380 55.803 -0.045 0.000 0.942 205 Q CB 1.753 30.468 28.738 -0.039 0.000 1.454 205 Q HN 0.630 nan 8.270 nan 0.000 0.392 206 G N 1.215 109.939 108.800 -0.127 0.000 2.750 206 G HA2 0.595 4.555 3.960 -0.000 0.000 0.298 206 G HA3 0.595 4.555 3.960 -0.000 0.000 0.298 206 G C -1.587 173.210 174.900 -0.172 0.000 1.412 206 G CA -0.387 44.626 45.100 -0.144 0.000 1.078 206 G HN 0.176 nan 8.290 nan 0.000 0.573 207 L N 1.199 122.305 121.223 -0.195 0.000 2.505 207 L HA 0.835 5.175 4.340 -0.000 0.000 0.266 207 L C -0.151 176.501 176.870 -0.363 0.000 0.954 207 L CA -0.834 53.791 54.840 -0.359 0.000 0.852 207 L CB 2.288 44.132 42.059 -0.358 0.000 1.282 207 L HN 0.919 nan 8.230 nan 0.000 0.403 208 A N 2.822 125.362 122.820 -0.467 0.000 2.540 208 A HA 0.713 5.033 4.320 -0.000 0.000 0.297 208 A C -2.112 175.439 177.584 -0.055 0.000 1.056 208 A CA -0.505 51.449 52.037 -0.139 0.000 0.700 208 A CB 1.427 20.417 19.000 -0.017 0.000 1.280 208 A HN 0.619 nan 8.150 nan 0.000 0.398 209 W N 2.465 123.936 121.300 0.285 0.000 2.478 209 W HA 0.286 4.946 4.660 0.000 0.000 0.318 209 W C 0.170 176.707 176.519 0.031 0.000 1.062 209 W CA -0.315 57.162 57.345 0.220 0.000 1.210 209 W CB 1.104 30.596 29.460 0.052 0.000 1.325 209 W HN 0.782 nan 8.180 nan 0.000 0.496 210 H N 4.926 123.926 119.070 -0.117 0.000 3.046 210 H HA 0.023 4.579 4.556 -0.000 0.000 0.303 210 H C -1.513 173.567 175.328 -0.414 0.000 1.002 210 H CA -0.614 54.842 56.048 -0.987 0.000 1.460 210 H CB 1.163 30.587 29.762 -0.565 0.000 1.493 210 H HN 0.014 nan 8.280 nan 0.000 0.559 211 P HA -0.168 nan 4.420 nan 0.000 0.217 211 P C 1.140 178.463 177.300 0.038 0.000 1.148 211 P CA 1.354 64.376 63.100 -0.131 0.000 0.828 211 P CB 0.507 32.097 31.700 -0.183 0.000 0.783 212 K N -1.460 119.071 120.400 0.218 0.000 2.168 212 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 212 K C 1.962 178.664 176.600 0.171 0.000 1.049 212 K CA 1.787 58.205 56.287 0.218 0.000 0.974 212 K CB -1.211 31.457 32.500 0.279 0.000 0.792 212 K HN 0.271 nan 8.250 nan 0.000 0.463 213 T N -3.115 111.539 114.554 0.167 0.000 3.037 213 T HA 0.199 4.549 4.350 -0.000 0.000 0.251 213 T C 1.412 176.200 174.700 0.148 0.000 1.079 213 T CA 0.785 62.949 62.100 0.106 0.000 1.067 213 T CB 0.337 69.247 68.868 0.070 0.000 0.948 213 T HN 0.289 nan 8.240 nan 0.000 0.496 214 G N 1.397 110.310 108.800 0.188 0.000 2.162 214 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 214 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 214 G C -0.198 174.908 174.900 0.344 0.000 0.976 214 G CA 0.199 45.431 45.100 0.221 0.000 0.655 214 G HN 0.673 nan 8.290 nan 0.000 0.533 215 E N -0.399 119.985 120.200 0.307 0.000 2.373 215 E HA 0.441 4.791 4.350 -0.000 0.000 0.267 215 E C 0.250 176.994 176.600 0.240 0.000 1.032 215 E CA -0.612 55.937 56.400 0.248 0.000 0.889 215 E CB 1.133 30.933 29.700 0.167 0.000 0.984 215 E HN 0.274 nan 8.360 nan 0.000 0.425 216 L N 3.748 124.976 121.223 0.008 0.000 2.292 216 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 216 L C -1.460 175.180 176.870 -0.383 0.000 1.065 216 L CA 0.256 54.883 54.840 -0.355 0.000 0.806 216 L CB 0.190 42.002 42.059 -0.412 0.000 1.175 216 L HN 0.372 nan 8.230 nan 0.000 0.431 217 F N 3.146 122.946 119.950 -0.250 0.000 2.546 217 F HA 0.689 5.216 4.527 -0.000 0.000 0.320 217 F C 0.340 175.998 175.800 -0.238 0.000 1.076 217 F CA -0.311 57.611 58.000 -0.130 0.000 0.928 217 F CB 2.270 41.261 39.000 -0.015 0.000 1.189 217 F HN 0.522 nan 8.300 nan 0.000 0.465 218 S N 0.994 116.679 115.700 -0.025 0.000 2.588 218 S HA 0.776 5.246 4.470 -0.000 0.000 0.275 218 S C -1.135 173.452 174.600 -0.022 0.000 1.130 218 S CA -0.587 57.549 58.200 -0.105 0.000 0.855 218 S CB 1.424 64.496 63.200 -0.214 0.000 1.116 218 S HN 0.712 nan 8.310 nan 0.000 0.472 219 S N 1.751 117.426 115.700 -0.042 0.000 2.566 219 S HA 0.876 5.346 4.470 -0.000 0.000 0.298 219 S C -1.033 173.553 174.600 -0.023 0.000 1.083 219 S CA -0.684 57.528 58.200 0.020 0.000 0.978 219 S CB 1.585 64.790 63.200 0.009 0.000 1.073 219 S HN 0.924 nan 8.310 nan 0.000 0.491 220 E N 0.428 120.639 120.200 0.019 0.000 2.407 220 E HA 0.339 4.689 4.350 -0.000 0.000 0.279 220 E C -1.672 174.930 176.600 0.004 0.000 1.012 220 E CA -0.934 55.455 56.400 -0.019 0.000 0.800 220 E CB 1.046 30.736 29.700 -0.017 0.000 1.276 220 E HN 0.860 nan 8.360 nan 0.000 0.452 221 H N 0.151 119.114 119.070 -0.179 0.000 2.487 221 H HA 0.592 5.148 4.556 -0.000 0.000 0.333 221 H C -0.296 174.855 175.328 -0.294 0.000 1.114 221 H CA -0.357 55.566 56.048 -0.208 0.000 1.310 221 H CB 1.453 31.084 29.762 -0.219 0.000 1.462 221 H HN 0.636 nan 8.280 nan 0.000 0.516 222 G N 3.823 112.671 108.800 0.079 0.000 3.211 222 G HA2 0.350 4.310 3.960 -0.000 0.000 0.262 222 G HA3 0.350 4.310 3.960 -0.000 0.000 0.262 222 G C -2.708 172.127 174.900 -0.109 0.000 1.352 222 G CA -1.541 43.438 45.100 -0.201 0.000 1.004 222 G HN 0.440 nan 8.290 nan 0.000 0.559 231 H N 1.322 120.264 119.070 -0.214 0.000 3.366 231 H HA -0.142 4.413 4.556 -0.000 0.000 0.233 231 H C -0.440 174.669 175.328 -0.365 0.000 1.102 231 H CA 0.976 56.698 56.048 -0.542 0.000 1.184 231 H CB -2.261 27.557 29.762 0.092 0.000 1.216 231 H HN 0.565 nan 8.280 nan 0.000 0.317 232 D N 2.562 122.933 120.400 -0.048 0.000 2.563 232 D HA 0.106 4.746 4.640 -0.000 0.000 0.229 232 D C 1.148 177.590 176.300 0.237 0.000 1.159 232 D CA 1.430 55.477 54.000 0.079 0.000 0.869 232 D CB 0.937 41.731 40.800 -0.010 0.000 1.203 232 D HN 0.726 nan 8.370 nan 0.000 0.478 233 E N -1.674 118.742 120.200 0.361 0.000 2.447 233 E HA 0.577 4.927 4.350 -0.000 0.000 0.279 233 E C -1.685 175.169 176.600 0.423 0.000 1.053 233 E CA -1.046 55.621 56.400 0.446 0.000 0.840 233 E CB 1.149 31.089 29.700 0.399 0.000 1.409 233 E HN 0.120 nan 8.360 nan 0.000 0.461 234 V N 0.987 121.117 119.914 0.360 0.000 2.540 234 V HA 0.448 4.568 4.120 -0.000 0.000 0.302 234 V C -0.955 175.288 176.094 0.248 0.000 1.035 234 V CA -0.680 61.790 62.300 0.285 0.000 0.873 234 V CB 1.394 33.380 31.823 0.271 0.000 0.992 234 V HN 0.660 nan 8.190 nan 0.000 0.428 235 N N 2.699 121.504 118.700 0.175 0.000 2.292 235 N HA 0.646 5.386 4.740 -0.000 0.000 0.303 235 N C -1.303 174.219 175.510 0.020 0.000 1.140 235 N CA -0.749 52.380 53.050 0.132 0.000 0.788 235 N CB 2.259 40.730 38.487 -0.027 0.000 1.361 235 N HN 0.542 nan 8.380 nan 0.000 0.489 236 L N 3.101 124.331 121.223 0.012 0.000 2.259 236 L HA 0.452 4.792 4.340 -0.000 0.000 0.288 236 L C -1.176 175.665 176.870 -0.049 0.000 1.051 236 L CA -0.433 54.223 54.840 -0.306 0.000 0.824 236 L CB -0.015 41.932 42.059 -0.187 0.000 1.206 236 L HN 0.463 nan 8.230 nan 0.000 0.429 237 I N 6.752 127.238 120.570 -0.139 0.000 2.396 237 I HA 0.224 4.394 4.170 -0.000 0.000 0.289 237 I C 0.261 176.496 176.117 0.198 0.000 1.056 237 I CA -0.210 61.129 61.300 0.065 0.000 1.365 237 I CB 0.990 38.997 38.000 0.011 0.000 1.407 237 I HN 0.457 nan 8.210 nan 0.000 0.509 238 V N 5.605 125.686 119.914 0.278 0.000 2.667 238 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 238 V C -2.618 173.453 176.094 -0.039 0.000 1.048 238 V CA -2.682 59.701 62.300 0.139 0.000 0.928 238 V CB 1.434 33.313 31.823 0.094 0.000 1.004 238 V HN 0.466 nan 8.190 nan 0.000 0.444 239 P HA 0.272 nan 4.420 nan 0.000 0.261 239 P C 1.032 178.104 177.300 -0.380 0.000 1.183 239 P CA 1.870 64.588 63.100 -0.636 0.000 0.761 239 P CB 0.613 32.105 31.700 -0.346 0.000 0.785 240 G N 2.375 110.942 108.800 -0.389 0.000 2.184 240 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.264 240 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.264 240 G C 0.670 175.616 174.900 0.077 0.000 0.975 240 G CA -0.150 44.822 45.100 -0.212 0.000 0.642 240 G HN 0.892 nan 8.290 nan 0.000 0.536 241 G N -0.153 108.693 108.800 0.076 0.000 2.380 241 G HA2 0.365 4.325 3.960 -0.000 0.000 0.242 241 G HA3 0.365 4.325 3.960 -0.000 0.000 0.242 241 G C -0.019 174.926 174.900 0.075 0.000 1.298 241 G CA 0.366 45.495 45.100 0.049 0.000 0.878 241 G HN 0.448 nan 8.290 nan 0.000 0.542 242 N N 1.360 119.979 118.700 -0.136 0.000 2.444 242 N HA 0.184 4.924 4.740 -0.000 0.000 0.262 242 N C -0.574 174.793 175.510 -0.238 0.000 0.974 242 N CA -0.628 52.409 53.050 -0.022 0.000 0.933 242 N CB 1.022 39.565 38.487 0.094 0.000 1.137 242 N HN 0.452 nan 8.380 nan 0.000 0.498 243 Y N 2.003 122.277 120.300 -0.042 0.000 2.537 243 Y HA 0.222 4.772 4.550 -0.000 0.000 0.303 243 Y C 1.858 177.752 175.900 -0.010 0.000 1.176 243 Y CA 0.375 58.452 58.100 -0.039 0.000 1.273 243 Y CB 0.085 38.436 38.460 -0.181 0.000 1.110 243 Y HN 0.829 nan 8.280 nan 0.000 0.518 244 G N -0.421 108.370 108.800 -0.016 0.000 2.377 244 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.250 244 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.250 244 G C 0.488 175.262 174.900 -0.210 0.000 1.039 244 G CA 0.153 45.044 45.100 -0.348 0.000 0.625 244 G HN 0.535 nan 8.290 nan 0.000 0.526 245 W N 3.350 124.559 121.300 -0.150 0.000 2.264 245 W HA 0.409 5.069 4.660 -0.000 0.000 0.331 245 W C -1.714 174.745 176.519 -0.101 0.000 1.364 245 W CA -0.648 56.632 57.345 -0.107 0.000 1.253 245 W CB 1.107 30.543 29.460 -0.040 0.000 1.215 245 W HN 0.198 nan 8.180 nan 0.000 0.561 246 P HA 0.123 nan 4.420 nan 0.000 0.276 246 P C 0.871 177.781 177.300 -0.650 0.000 1.585 246 P CA 0.024 62.340 63.100 -1.306 0.000 1.162 246 P CB 0.410 31.011 31.700 -1.832 0.000 1.556 247 R N 0.401 120.621 120.500 -0.467 0.000 2.090 247 R HA 0.083 4.423 4.340 -0.000 0.000 0.228 247 R C 1.233 177.327 176.300 -0.343 0.000 1.110 247 R CA 1.131 57.001 56.100 -0.382 0.000 0.973 247 R CB -0.549 29.495 30.300 -0.427 0.000 0.869 247 R HN 0.231 nan 8.270 nan 0.000 0.440 248 V N -1.742 117.949 119.914 -0.371 0.000 2.888 248 V HA 0.654 4.774 4.120 -0.000 0.000 0.309 248 V C -0.514 175.523 176.094 -0.096 0.000 1.114 248 V CA -1.248 60.911 62.300 -0.236 0.000 0.940 248 V CB 2.376 34.033 31.823 -0.277 0.000 1.021 248 V HN -0.079 nan 8.190 nan 0.000 0.426 249 V N 1.244 121.135 119.914 -0.038 0.000 2.656 249 V HA 1.103 5.223 4.120 -0.000 0.000 0.307 249 V C 0.552 176.595 176.094 -0.085 0.000 1.051 249 V CA 0.161 62.503 62.300 0.070 0.000 0.893 249 V CB 0.585 32.468 31.823 0.100 0.000 0.999 249 V HN 2.773 nan 8.190 nan 0.000 0.426 250 G N 3.562 112.150 108.800 -0.353 0.000 2.660 250 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.247 250 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.247 250 G C -0.454 174.124 174.900 -0.536 0.000 1.328 250 G CA -0.298 44.151 45.100 -1.085 0.000 0.884 250 G HN 1.058 nan 8.290 nan 0.000 0.531 251 R N -0.166 120.052 120.500 -0.469 0.000 2.577 251 R HA 0.651 4.991 4.340 -0.000 0.000 0.269 251 R C 0.798 177.018 176.300 -0.134 0.000 1.084 251 R CA 0.388 56.353 56.100 -0.225 0.000 1.163 251 R CB 1.131 31.323 30.300 -0.179 0.000 1.100 251 R HN 1.557 nan 8.270 nan 0.000 0.547 252 G N -0.215 108.542 108.800 -0.072 0.000 2.490 252 G HA2 0.132 4.092 3.960 -0.000 0.000 0.308 252 G HA3 0.132 4.092 3.960 -0.000 0.000 0.308 252 G C -1.450 173.440 174.900 -0.017 0.000 1.286 252 G CA -0.708 44.369 45.100 -0.038 0.000 0.825 252 G HN 0.593 nan 8.290 nan 0.000 0.479 253 N N 0.162 118.859 118.700 -0.005 0.000 2.687 253 N HA 0.256 4.996 4.740 -0.000 0.000 0.275 253 N C -1.761 173.745 175.510 -0.006 0.000 1.789 253 N CA -0.309 52.737 53.050 -0.007 0.000 0.806 253 N CB 0.792 39.271 38.487 -0.013 0.000 1.256 253 N HN 0.368 nan 8.380 nan 0.000 0.500 254 D N 1.145 121.551 120.400 0.010 0.000 2.392 254 D HA 0.227 4.867 4.640 -0.000 0.000 0.228 254 D C -1.421 174.836 176.300 -0.073 0.000 1.074 254 D CA -2.267 51.727 54.000 -0.010 0.000 0.838 254 D CB 1.786 42.633 40.800 0.078 0.000 1.067 254 D HN 0.232 nan 8.370 nan 0.000 0.511 255 P HA -0.154 nan 4.420 nan 0.000 0.220 255 P C 1.018 178.195 177.300 -0.204 0.000 1.144 255 P CA 0.729 63.756 63.100 -0.121 0.000 0.800 255 P CB 0.488 32.129 31.700 -0.098 0.000 0.772 256 R N -1.761 118.529 120.500 -0.351 0.000 2.148 256 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 256 R C 0.391 176.268 176.300 -0.705 0.000 1.088 256 R CA 0.832 56.571 56.100 -0.601 0.000 0.985 256 R CB -0.215 29.525 30.300 -0.934 0.000 0.880 256 R HN 0.295 nan 8.270 nan 0.000 0.451 257 Y N -0.077 120.159 120.300 -0.107 0.000 2.429 257 Y HA 0.379 4.928 4.550 -0.000 0.000 0.342 257 Y C 0.111 175.897 175.900 -0.191 0.000 1.004 257 Y CA -1.457 56.550 58.100 -0.155 0.000 1.075 257 Y CB 0.948 39.343 38.460 -0.108 0.000 1.214 257 Y HN -0.329 nan 8.280 nan 0.000 0.455 258 R N 2.094 122.488 120.500 -0.177 0.000 2.297 258 R HA 0.247 4.587 4.340 -0.000 0.000 0.308 258 R C -0.827 175.441 176.300 -0.053 0.000 1.029 258 R CA -0.597 55.361 56.100 -0.236 0.000 0.929 258 R CB 0.701 30.603 30.300 -0.664 0.000 1.046 258 R HN 0.715 nan 8.270 nan 0.000 0.461 259 D N 4.271 124.687 120.400 0.027 0.000 2.341 259 D HA 0.193 4.833 4.640 -0.000 0.000 0.245 259 D C -1.843 174.551 176.300 0.157 0.000 1.106 259 D CA -1.070 52.969 54.000 0.065 0.000 0.905 259 D CB 1.054 41.871 40.800 0.028 0.000 1.202 259 D HN 0.212 nan 8.370 nan 0.000 0.426 260 P HA 0.011 nan 4.420 nan 0.000 0.275 260 P C 0.819 178.238 177.300 0.199 0.000 1.228 260 P CA -0.529 62.715 63.100 0.239 0.000 0.786 260 P CB 1.243 33.115 31.700 0.287 0.000 0.927 261 L N 3.228 124.597 121.223 0.242 0.000 2.017 261 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 261 L C 0.414 177.423 176.870 0.232 0.000 1.073 261 L CA 1.763 56.759 54.840 0.260 0.000 0.745 261 L CB -0.811 41.454 42.059 0.344 0.000 0.894 261 L HN 0.421 nan 8.230 nan 0.000 0.432 262 Y N -1.248 119.069 120.300 0.029 0.000 2.457 262 Y HA 0.453 5.003 4.550 -0.000 0.000 0.343 262 Y C -1.440 174.393 175.900 -0.113 0.000 0.994 262 Y CA -1.663 56.344 58.100 -0.155 0.000 1.031 262 Y CB 1.435 39.648 38.460 -0.412 0.000 1.246 262 Y HN -0.048 nan 8.280 nan 0.000 0.449 263 F N 5.417 124.805 119.950 -0.936 0.000 2.540 263 F HA 0.487 5.014 4.527 -0.000 0.000 0.317 263 F C -1.620 173.752 175.800 -0.714 0.000 1.104 263 F CA -1.093 56.599 58.000 -0.514 0.000 0.913 263 F CB 1.255 40.099 39.000 -0.261 0.000 1.170 263 F HN 0.489 nan 8.300 nan 0.000 0.450 264 W N 8.374 129.339 121.300 -0.558 0.000 2.288 264 W HA 0.254 4.914 4.660 0.000 0.000 0.325 264 W C -2.053 174.209 176.519 -0.430 0.000 1.019 264 W CA -1.735 55.404 57.345 -0.344 0.000 1.403 264 W CB 1.067 30.453 29.460 -0.124 0.000 1.226 264 W HN 0.487 nan 8.180 nan 0.000 0.391 265 P HA -0.204 nan 4.420 nan 0.000 0.215 265 P C 0.932 178.194 177.300 -0.063 0.000 1.157 265 P CA 2.239 65.329 63.100 -0.016 0.000 0.874 265 P CB 0.358 32.091 31.700 0.054 0.000 0.790 266 Q N -1.364 118.445 119.800 0.015 0.000 2.222 266 Q HA 0.304 4.644 4.340 -0.000 0.000 0.206 266 Q C 0.495 176.500 176.000 0.007 0.000 0.877 266 Q CA 0.202 56.010 55.803 0.008 0.000 0.958 266 Q CB -0.157 28.612 28.738 0.052 0.000 1.075 266 Q HN 0.161 nan 8.270 nan 0.000 0.483 267 G N 1.872 110.668 108.800 -0.006 0.000 2.333 267 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.296 267 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.296 267 G C -0.427 174.421 174.900 -0.086 0.000 1.059 267 G CA -0.304 44.784 45.100 -0.021 0.000 1.050 267 G HN 0.441 nan 8.290 nan 0.000 0.508 268 F N 1.292 120.982 119.950 -0.434 0.000 2.533 268 F HA 0.444 4.971 4.527 0.000 0.000 0.378 268 F C -1.695 173.705 175.800 -0.666 0.000 1.070 268 F CA -1.881 55.699 58.000 -0.700 0.000 1.172 268 F CB 1.023 39.132 39.000 -1.485 0.000 1.085 268 F HN 0.035 nan 8.300 nan 0.000 0.552 269 P HA 0.200 nan 4.420 nan 0.000 0.286 269 P C -2.578 174.210 177.300 -0.853 0.000 1.321 269 P CA -1.072 61.481 63.100 -0.912 0.000 0.790 269 P CB 1.004 32.143 31.700 -0.934 0.000 0.897 270 P HA 0.250 nan 4.420 nan 0.000 0.285 270 P C -0.024 177.054 177.300 -0.369 0.000 1.269 270 P CA -0.174 62.636 63.100 -0.484 0.000 0.844 270 P CB 1.941 33.481 31.700 -0.266 0.000 1.094 271 G N 1.419 110.015 108.800 -0.339 0.000 3.227 271 G HA2 0.151 4.111 3.960 -0.000 0.000 0.171 271 G HA3 0.151 4.111 3.960 -0.000 0.000 0.171 271 G C 0.146 174.876 174.900 -0.282 0.000 1.463 271 G CA -0.080 44.811 45.100 -0.348 0.000 1.016 271 G HN 0.547 nan 8.290 nan 0.000 0.594 272 N N -0.810 117.721 118.700 -0.283 0.000 2.364 272 N HA 0.483 5.223 4.740 -0.000 0.000 0.264 272 N C -0.590 174.833 175.510 -0.146 0.000 1.263 272 N CA -0.336 52.589 53.050 -0.209 0.000 0.959 272 N CB 0.765 39.128 38.487 -0.207 0.000 1.204 272 N HN 0.316 nan 8.380 nan 0.000 0.550 273 L N -2.194 118.954 121.223 -0.126 0.000 2.376 273 L HA 1.004 5.344 4.340 -0.000 0.000 0.258 273 L C -0.987 175.803 176.870 -0.133 0.000 1.013 273 L CA -1.681 53.083 54.840 -0.126 0.000 0.822 273 L CB 0.783 42.753 42.059 -0.147 0.000 1.388 273 L HN 0.536 nan 8.230 nan 0.000 0.413 274 A N 0.225 122.952 122.820 -0.156 0.000 2.589 274 A HA 0.806 5.126 4.320 -0.000 0.000 0.296 274 A C -1.764 175.736 177.584 -0.141 0.000 1.062 274 A CA -0.371 51.611 52.037 -0.092 0.000 0.686 274 A CB 0.927 19.926 19.000 -0.002 0.000 1.282 274 A HN 0.495 nan 8.150 nan 0.000 0.404 275 F N 1.192 121.162 119.950 0.034 0.000 2.420 275 F HA 0.628 5.155 4.527 -0.000 0.000 0.352 275 F C -0.253 175.654 175.800 0.180 0.000 1.108 275 F CA 0.265 58.272 58.000 0.012 0.000 1.162 275 F CB 1.193 40.107 39.000 -0.144 0.000 1.118 275 F HN 0.472 nan 8.300 nan 0.000 0.510 276 F N 3.590 123.668 119.950 0.212 0.000 2.574 276 F HA 0.464 4.991 4.527 -0.000 0.000 0.313 276 F C 0.227 176.128 175.800 0.168 0.000 1.130 276 F CA -1.615 56.462 58.000 0.128 0.000 0.936 276 F CB 1.185 40.153 39.000 -0.053 0.000 1.219 276 F HN 0.500 nan 8.300 nan 0.000 0.445 277 R N 4.098 124.281 120.500 -0.528 0.000 3.266 277 R HA -0.203 4.137 4.340 -0.000 0.000 0.245 277 R C 1.038 177.239 176.300 -0.165 0.000 0.941 277 R CA 1.073 56.894 56.100 -0.465 0.000 0.638 277 R CB -1.756 28.090 30.300 -0.757 0.000 1.019 277 R HN 1.517 nan 8.270 nan 0.000 0.462 278 G N -1.414 107.342 108.800 -0.075 0.000 2.225 278 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 278 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 278 G C -0.033 174.858 174.900 -0.015 0.000 0.988 278 G CA 0.528 45.602 45.100 -0.043 0.000 0.625 278 G HN 0.511 nan 8.290 nan 0.000 0.527 279 D N -0.619 119.791 120.400 0.016 0.000 2.497 279 D HA 0.624 5.264 4.640 -0.000 0.000 0.243 279 D C -0.563 175.645 176.300 -0.155 0.000 1.039 279 D CA -0.623 53.313 54.000 -0.107 0.000 1.052 279 D CB 1.905 42.539 40.800 -0.276 0.000 1.344 279 D HN 0.192 nan 8.370 nan 0.000 0.553 280 L N 1.375 122.339 121.223 -0.432 0.000 2.287 280 L HA 0.345 4.685 4.340 -0.000 0.000 0.287 280 L C -1.579 174.975 176.870 -0.526 0.000 1.022 280 L CA -0.403 54.044 54.840 -0.654 0.000 0.814 280 L CB 0.349 41.875 42.059 -0.889 0.000 1.217 280 L HN 0.226 nan 8.230 nan 0.000 0.420 281 Y N 3.996 124.128 120.300 -0.280 0.000 2.341 281 Y HA 0.638 5.188 4.550 0.000 0.000 0.337 281 Y C -0.147 175.661 175.900 -0.153 0.000 1.014 281 Y CA -0.650 57.354 58.100 -0.161 0.000 1.111 281 Y CB 1.963 40.361 38.460 -0.104 0.000 1.194 281 Y HN 0.300 nan 8.280 nan 0.000 0.462 282 V N 3.399 123.343 119.914 0.050 0.000 2.444 282 V HA 0.633 4.753 4.120 -0.000 0.000 0.294 282 V C -0.061 176.086 176.094 0.088 0.000 1.022 282 V CA -1.203 61.131 62.300 0.058 0.000 0.850 282 V CB 1.290 33.201 31.823 0.148 0.000 0.992 282 V HN 0.909 nan 8.190 nan 0.000 0.426 283 A N 3.522 126.332 122.820 -0.016 0.000 2.425 283 A HA 0.694 5.014 4.320 -0.000 0.000 0.249 283 A C 0.639 178.120 177.584 -0.172 0.000 1.084 283 A CA 0.328 52.319 52.037 -0.077 0.000 0.781 283 A CB 0.447 19.350 19.000 -0.162 0.000 1.019 283 A HN 1.162 nan 8.150 nan 0.000 0.490 284 G N 1.063 109.716 108.800 -0.245 0.000 2.417 284 G HA2 0.492 4.452 3.960 -0.000 0.000 0.320 284 G HA3 0.492 4.452 3.960 -0.000 0.000 0.320 284 G C 0.386 174.935 174.900 -0.584 0.000 1.204 284 G CA -0.539 44.077 45.100 -0.807 0.000 0.923 284 G HN 0.638 nan 8.290 nan 0.000 0.466 285 L N 1.631 122.474 121.223 -0.635 0.000 2.071 285 L HA 0.179 4.519 4.340 -0.000 0.000 0.201 285 L C 2.883 179.539 176.870 -0.357 0.000 1.076 285 L CA 0.639 55.228 54.840 -0.417 0.000 0.755 285 L CB -0.087 41.747 42.059 -0.374 0.000 0.915 285 L HN 0.566 nan 8.230 nan 0.000 0.445 286 R N -0.015 120.233 120.500 -0.420 0.000 2.161 286 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 286 R C 2.036 178.171 176.300 -0.275 0.000 1.055 286 R CA 0.852 56.782 56.100 -0.283 0.000 0.996 286 R CB -0.119 30.033 30.300 -0.246 0.000 0.901 286 R HN 0.342 nan 8.270 nan 0.000 0.456 287 G N -0.141 108.390 108.800 -0.449 0.000 2.534 287 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 287 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 287 G C 0.032 174.874 174.900 -0.098 0.000 1.128 287 G CA 0.086 45.039 45.100 -0.245 0.000 0.784 287 G HN 0.462 nan 8.290 nan 0.000 0.542 288 Q N -1.185 118.514 119.800 -0.167 0.000 2.439 288 Q HA -0.129 4.211 4.340 -0.000 0.000 0.325 288 Q C 0.084 176.085 176.000 0.002 0.000 1.372 288 Q CA 0.190 55.947 55.803 -0.077 0.000 0.909 288 Q CB -1.844 26.864 28.738 -0.049 0.000 1.167 288 Q HN 0.831 nan 8.270 nan 0.000 0.418 289 A N -0.120 122.718 122.820 0.030 0.000 2.601 289 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 289 A C -1.949 175.722 177.584 0.145 0.000 1.075 289 A CA -0.814 51.287 52.037 0.107 0.000 0.671 289 A CB 1.346 20.433 19.000 0.146 0.000 1.277 289 A HN 0.206 nan 8.150 nan 0.000 0.417 290 L N 1.267 122.558 121.223 0.114 0.000 2.287 290 L HA 0.704 5.044 4.340 -0.000 0.000 0.287 290 L C -1.106 175.839 176.870 0.125 0.000 1.022 290 L CA -0.254 54.655 54.840 0.116 0.000 0.814 290 L CB 0.681 42.779 42.059 0.066 0.000 1.217 290 L HN 0.603 nan 8.230 nan 0.000 0.420 291 L N 5.009 126.290 121.223 0.096 0.000 2.322 291 L HA 0.587 4.927 4.340 -0.000 0.000 0.279 291 L C 0.052 176.861 176.870 -0.101 0.000 1.036 291 L CA -0.699 54.120 54.840 -0.036 0.000 0.807 291 L CB 1.520 43.464 42.059 -0.192 0.000 1.226 291 L HN 0.616 nan 8.230 nan 0.000 0.433 292 R N 2.734 123.099 120.500 -0.224 0.000 2.295 292 R HA 0.510 4.850 4.340 -0.000 0.000 0.324 292 R C -1.599 174.451 176.300 -0.418 0.000 0.968 292 R CA -0.793 54.991 56.100 -0.526 0.000 0.837 292 R CB 1.014 31.011 30.300 -0.504 0.000 1.133 292 R HN 0.390 nan 8.270 nan 0.000 0.450 293 L N 5.429 126.375 121.223 -0.461 0.000 2.262 293 L HA 0.304 4.644 4.340 -0.000 0.000 0.288 293 L C -0.507 176.170 176.870 -0.322 0.000 1.035 293 L CA -0.463 54.140 54.840 -0.395 0.000 0.820 293 L CB 1.762 43.576 42.059 -0.407 0.000 1.204 293 L HN 0.359 nan 8.230 nan 0.000 0.424 294 V N 5.358 125.130 119.914 -0.237 0.000 2.408 294 V HA 0.298 4.418 4.120 -0.000 0.000 0.267 294 V C 0.508 176.558 176.094 -0.073 0.000 1.047 294 V CA -0.420 61.794 62.300 -0.144 0.000 0.937 294 V CB 0.659 32.420 31.823 -0.102 0.000 0.999 294 V HN 0.493 nan 8.190 nan 0.000 0.472 295 L N 4.355 125.568 121.223 -0.018 0.000 2.375 295 L HA 0.736 5.076 4.340 -0.000 0.000 0.268 295 L C 0.034 177.038 176.870 0.225 0.000 1.058 295 L CA -0.391 54.516 54.840 0.112 0.000 0.803 295 L CB 1.504 43.619 42.059 0.094 0.000 1.212 295 L HN 0.688 nan 8.230 nan 0.000 0.451 296 E N 0.148 120.546 120.200 0.330 0.000 2.335 296 E HA 0.607 4.957 4.350 -0.000 0.000 0.280 296 E C -0.644 176.100 176.600 0.240 0.000 0.918 296 E CA -0.086 56.470 56.400 0.261 0.000 0.765 296 E CB 2.230 32.006 29.700 0.127 0.000 1.218 296 E HN 0.763 nan 8.360 nan 0.000 0.425 297 G N 2.918 111.730 108.800 0.021 0.000 2.247 297 G HA2 0.106 4.066 3.960 -0.000 0.000 0.229 297 G HA3 0.106 4.066 3.960 -0.000 0.000 0.229 297 G C -1.211 173.187 174.900 -0.837 0.000 1.345 297 G CA -0.025 44.868 45.100 -0.345 0.000 1.100 297 G HN 0.741 nan 8.290 nan 0.000 0.473 298 E N -1.181 118.201 120.200 -1.362 0.000 2.449 298 E HA 0.592 4.942 4.350 -0.000 0.000 0.278 298 E C -0.324 175.535 176.600 -1.236 0.000 1.059 298 E CA -1.110 54.568 56.400 -1.203 0.000 0.854 298 E CB 1.121 30.524 29.700 -0.495 0.000 1.465 298 E HN 0.588 nan 8.360 nan 0.000 0.462 299 R N -0.028 120.209 120.500 -0.440 0.000 2.549 299 R HA 0.118 4.458 4.340 -0.000 0.000 0.336 299 R C 0.751 176.975 176.300 -0.127 0.000 0.891 299 R CA 2.050 58.108 56.100 -0.071 0.000 1.102 299 R CB -0.737 29.575 30.300 0.020 0.000 0.899 299 R HN 0.855 nan 8.270 nan 0.000 0.407 300 G N 3.969 112.759 108.800 -0.015 0.000 2.279 300 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.223 300 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.223 300 G C -0.043 174.825 174.900 -0.053 0.000 1.015 300 G CA -0.244 44.855 45.100 -0.001 0.000 0.621 300 G HN 0.543 nan 8.290 nan 0.000 0.506 301 R N -0.087 120.252 120.500 -0.267 0.000 2.513 301 R HA 0.441 4.781 4.340 -0.000 0.000 0.283 301 R C -1.312 174.803 176.300 -0.309 0.000 1.535 301 R CA -0.481 55.499 56.100 -0.200 0.000 1.315 301 R CB 0.165 30.355 30.300 -0.184 0.000 1.163 301 R HN 0.321 nan 8.270 nan 0.000 0.573 302 W N 2.559 123.923 121.300 0.107 0.000 2.627 302 W HA 0.530 5.190 4.660 0.000 0.000 0.339 302 W C 0.754 177.350 176.519 0.128 0.000 1.058 302 W CA -0.809 56.622 57.345 0.143 0.000 1.223 302 W CB 1.555 31.172 29.460 0.261 0.000 1.389 302 W HN 0.278 nan 8.180 nan 0.000 0.541 303 R N 0.030 120.759 120.500 0.382 0.000 2.774 303 R HA 0.787 5.127 4.340 -0.000 0.000 0.272 303 R C -1.987 174.437 176.300 0.206 0.000 1.000 303 R CA -0.989 55.256 56.100 0.241 0.000 0.906 303 R CB 1.248 31.636 30.300 0.146 0.000 1.227 303 R HN 0.256 nan 8.270 nan 0.000 0.468 304 V N 4.003 124.006 119.914 0.148 0.000 2.368 304 V HA 0.125 4.245 4.120 -0.000 0.000 0.266 304 V C 1.505 177.619 176.094 0.034 0.000 1.045 304 V CA -0.421 61.911 62.300 0.053 0.000 0.899 304 V CB 0.947 32.761 31.823 -0.014 0.000 1.006 304 V HN 0.748 nan 8.190 nan 0.000 0.470 305 L N 4.639 125.871 121.223 0.014 0.000 2.005 305 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 305 L C 1.268 178.125 176.870 -0.022 0.000 1.072 305 L CA 1.528 56.373 54.840 0.008 0.000 0.744 305 L CB 0.018 42.082 42.059 0.008 0.000 0.895 305 L HN 0.776 nan 8.230 nan 0.000 0.433 306 R N -1.902 118.556 120.500 -0.071 0.000 2.692 306 R HA 0.554 4.894 4.340 -0.000 0.000 0.269 306 R C -1.777 174.417 176.300 -0.177 0.000 1.030 306 R CA -0.839 55.206 56.100 -0.092 0.000 0.882 306 R CB 1.795 32.057 30.300 -0.062 0.000 1.250 306 R HN -0.250 nan 8.270 nan 0.000 0.465 307 V N 1.507 121.312 119.914 -0.182 0.000 2.448 307 V HA 0.448 4.568 4.120 -0.000 0.000 0.295 307 V C -0.438 175.568 176.094 -0.147 0.000 1.025 307 V CA -0.566 61.590 62.300 -0.239 0.000 0.859 307 V CB 1.539 33.182 31.823 -0.299 0.000 0.988 307 V HN 0.788 nan 8.190 nan 0.000 0.431 308 E N 1.720 121.831 120.200 -0.148 0.000 2.392 308 E HA 0.556 4.906 4.350 -0.000 0.000 0.269 308 E C -1.125 175.431 176.600 -0.073 0.000 0.924 308 E CA -0.906 55.440 56.400 -0.090 0.000 0.784 308 E CB 2.270 31.926 29.700 -0.073 0.000 1.292 308 E HN 0.547 nan 8.360 nan 0.000 0.447 309 T N 1.005 115.541 114.554 -0.029 0.000 2.767 309 T HA 0.354 4.704 4.350 -0.000 0.000 0.288 309 T C 0.416 175.142 174.700 0.042 0.000 0.963 309 T CA -0.269 61.834 62.100 0.004 0.000 1.019 309 T CB 1.270 70.145 68.868 0.012 0.000 0.923 309 T HN 0.590 nan 8.240 nan 0.000 0.468 310 A N 3.448 126.321 122.820 0.088 0.000 2.140 310 A HA 0.589 4.909 4.320 -0.000 0.000 0.209 310 A C 0.240 177.878 177.584 0.091 0.000 1.181 310 A CA 0.217 52.335 52.037 0.134 0.000 0.824 310 A CB 0.193 19.379 19.000 0.311 0.000 0.879 310 A HN 0.580 nan 8.150 nan 0.000 0.480 311 L N -0.611 120.661 121.223 0.081 0.000 2.545 311 L HA 0.626 4.966 4.340 -0.000 0.000 0.258 311 L C -0.769 176.164 176.870 0.104 0.000 0.942 311 L CA 0.542 55.432 54.840 0.083 0.000 0.855 311 L CB 2.112 44.194 42.059 0.039 0.000 1.374 311 L HN 0.324 nan 8.230 nan 0.000 0.411 312 S N 1.328 117.110 115.700 0.137 0.000 2.636 312 S HA 0.811 5.281 4.470 -0.000 0.000 0.268 312 S C 0.219 174.869 174.600 0.083 0.000 1.159 312 S CA -0.005 58.260 58.200 0.108 0.000 0.815 312 S CB 1.203 64.435 63.200 0.053 0.000 1.130 312 S HN 2.223 nan 8.310 nan 0.000 0.471 313 G N -0.442 108.348 108.800 -0.018 0.000 2.157 313 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.239 313 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.239 313 G C 0.015 174.673 174.900 -0.404 0.000 0.982 313 G CA 0.396 45.373 45.100 -0.205 0.000 0.650 313 G HN 0.868 nan 8.290 nan 0.000 0.527 314 F N 1.041 120.964 119.950 -0.045 0.000 2.706 314 F HA 0.486 5.013 4.527 -0.000 0.000 0.313 314 F C 1.713 177.477 175.800 -0.060 0.000 1.096 314 F CA 0.956 58.925 58.000 -0.053 0.000 1.219 314 F CB 0.948 39.911 39.000 -0.061 0.000 1.051 314 F HN 0.861 nan 8.300 nan 0.000 0.568 315 G N 1.047 109.882 108.800 0.059 0.000 2.568 315 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.222 315 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.222 315 G C -0.317 174.574 174.900 -0.016 0.000 1.321 315 G CA -1.050 44.053 45.100 0.006 0.000 0.893 315 G HN 0.185 nan 8.290 nan 0.000 0.569 316 R N -0.326 120.141 120.500 -0.055 0.000 2.522 316 R HA 0.415 4.755 4.340 -0.000 0.000 0.284 316 R C 0.018 176.251 176.300 -0.111 0.000 1.032 316 R CA 0.251 56.286 56.100 -0.108 0.000 1.049 316 R CB 0.083 30.314 30.300 -0.115 0.000 0.956 316 R HN 0.413 nan 8.270 nan 0.000 0.422 317 L N 3.369 124.498 121.223 -0.157 0.000 2.349 317 L HA 0.407 4.747 4.340 -0.000 0.000 0.278 317 L C 1.107 177.840 176.870 -0.227 0.000 0.996 317 L CA -0.451 54.291 54.840 -0.163 0.000 0.825 317 L CB 1.881 43.861 42.059 -0.131 0.000 1.243 317 L HN 0.688 nan 8.230 nan 0.000 0.412 318 R N 1.201 121.553 120.500 -0.247 0.000 2.164 318 R HA 0.110 4.450 4.340 -0.000 0.000 0.198 318 R C 0.233 176.312 176.300 -0.367 0.000 1.028 318 R CA 0.111 56.005 56.100 -0.343 0.000 1.083 318 R CB 0.756 30.807 30.300 -0.414 0.000 1.026 318 R HN 0.639 nan 8.270 nan 0.000 0.514 319 E N 0.341 120.369 120.200 -0.287 0.000 2.202 319 E HA 0.364 4.714 4.350 -0.000 0.000 0.272 319 E C -1.741 174.762 176.600 -0.160 0.000 0.951 319 E CA -0.706 55.553 56.400 -0.236 0.000 0.813 319 E CB 2.114 31.704 29.700 -0.184 0.000 1.151 319 E HN -0.078 nan 8.360 nan 0.000 0.398 320 V N 4.685 124.527 119.914 -0.120 0.000 2.653 320 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 320 V C -1.892 174.183 176.094 -0.033 0.000 1.097 320 V CA -0.177 62.067 62.300 -0.093 0.000 0.908 320 V CB 1.338 33.091 31.823 -0.117 0.000 1.024 320 V HN 0.817 nan 8.190 nan 0.000 0.435 321 Q N 4.180 124.001 119.800 0.036 0.000 2.377 321 Q HA 0.556 4.896 4.340 -0.000 0.000 0.279 321 Q C -1.481 174.590 176.000 0.118 0.000 1.049 321 Q CA -0.800 55.078 55.803 0.125 0.000 0.825 321 Q CB 2.972 31.872 28.738 0.271 0.000 1.401 321 Q HN 0.593 nan 8.270 nan 0.000 0.404 322 V N 1.300 121.248 119.914 0.058 0.000 2.461 322 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 322 V C 0.684 176.648 176.094 -0.215 0.000 1.047 322 V CA -0.155 62.131 62.300 -0.024 0.000 0.955 322 V CB 0.992 32.860 31.823 0.076 0.000 0.988 322 V HN 0.860 nan 8.190 nan 0.000 0.471 323 G N 4.847 113.460 108.800 -0.311 0.000 2.547 323 G HA2 0.434 4.394 3.960 -0.000 0.000 0.291 323 G HA3 0.434 4.394 3.960 -0.000 0.000 0.291 323 G C -1.839 172.779 174.900 -0.469 0.000 1.211 323 G CA -1.091 43.437 45.100 -0.953 0.000 0.950 323 G HN 0.604 nan 8.290 nan 0.000 0.504 324 P HA 0.014 nan 4.420 nan 0.000 0.226 324 P C 0.912 178.164 177.300 -0.081 0.000 1.153 324 P CA 0.982 63.973 63.100 -0.182 0.000 0.777 324 P CB 0.245 31.868 31.700 -0.129 0.000 0.794 325 D N -1.750 118.616 120.400 -0.056 0.000 2.340 325 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 325 D C 1.501 177.814 176.300 0.022 0.000 1.039 325 D CA 0.579 54.585 54.000 0.010 0.000 0.866 325 D CB -0.843 39.992 40.800 0.058 0.000 0.913 325 D HN 0.200 nan 8.370 nan 0.000 0.523 326 G N -0.279 108.533 108.800 0.020 0.000 2.225 326 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 326 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 326 G C 0.562 175.559 174.900 0.161 0.000 0.988 326 G CA 0.238 45.385 45.100 0.078 0.000 0.625 326 G HN 0.840 nan 8.290 nan 0.000 0.527 327 A N -0.226 122.620 122.820 0.043 0.000 2.332 327 A HA 0.765 5.085 4.320 -0.000 0.000 0.258 327 A C 0.069 177.440 177.584 -0.355 0.000 1.087 327 A CA 0.156 52.115 52.037 -0.130 0.000 0.802 327 A CB 0.943 19.759 19.000 -0.307 0.000 1.042 327 A HN 1.420 nan 8.150 nan 0.000 0.489 328 L N 1.259 122.007 121.223 -0.792 0.000 2.272 328 L HA 0.543 4.883 4.340 -0.000 0.000 0.289 328 L C -1.291 175.198 176.870 -0.635 0.000 1.032 328 L CA -0.027 54.260 54.840 -0.921 0.000 0.810 328 L CB 0.285 41.337 42.059 -1.679 0.000 1.205 328 L HN 0.580 nan 8.230 nan 0.000 0.422 329 Y N 3.906 124.041 120.300 -0.274 0.000 2.361 329 Y HA 0.683 5.233 4.550 -0.000 0.000 0.332 329 Y C -0.053 175.738 175.900 -0.181 0.000 1.101 329 Y CA -0.506 57.505 58.100 -0.147 0.000 1.137 329 Y CB 1.848 40.358 38.460 0.083 0.000 1.207 329 Y HN 0.324 nan 8.280 nan 0.000 0.463 330 V N 1.655 121.516 119.914 -0.089 0.000 2.925 330 V HA 0.579 4.699 4.120 -0.000 0.000 0.311 330 V C -0.438 175.570 176.094 -0.143 0.000 1.104 330 V CA -0.942 61.272 62.300 -0.144 0.000 0.954 330 V CB 2.453 34.144 31.823 -0.220 0.000 1.022 330 V HN 0.847 nan 8.190 nan 0.000 0.427 331 T N -0.768 113.698 114.554 -0.147 0.000 2.908 331 T HA 0.746 5.096 4.350 -0.000 0.000 0.290 331 T C -0.222 174.391 174.700 -0.144 0.000 1.034 331 T CA -0.402 61.612 62.100 -0.142 0.000 1.010 331 T CB 1.851 70.642 68.868 -0.128 0.000 1.068 331 T HN 0.917 nan 8.240 nan 0.000 0.481 332 T N -1.040 113.445 114.554 -0.116 0.000 2.929 332 T HA 0.618 4.968 4.350 -0.000 0.000 0.284 332 T C 0.130 174.781 174.700 -0.082 0.000 1.014 332 T CA -0.820 61.229 62.100 -0.085 0.000 1.051 332 T CB 1.509 70.358 68.868 -0.032 0.000 1.028 332 T HN 0.688 nan 8.240 nan 0.000 0.485 333 S N 0.793 116.445 115.700 -0.081 0.000 2.300 333 S HA 0.311 4.781 4.470 -0.000 0.000 0.172 333 S C 0.264 174.834 174.600 -0.050 0.000 1.484 333 S CA -0.803 57.355 58.200 -0.070 0.000 1.265 333 S CB -0.910 62.221 63.200 -0.114 0.000 1.313 333 S HN 0.777 nan 8.310 nan 0.000 0.387 334 N N 0.778 119.458 118.700 -0.032 0.000 2.392 334 N HA 0.162 4.902 4.740 -0.000 0.000 0.177 334 N C 1.396 176.896 175.510 -0.016 0.000 1.066 334 N CA 0.208 53.243 53.050 -0.025 0.000 0.895 334 N CB 0.257 38.735 38.487 -0.015 0.000 0.988 334 N HN 0.315 nan 8.380 nan 0.000 0.457 335 R N 0.738 121.232 120.500 -0.011 0.000 2.466 335 R HA 0.033 4.373 4.340 -0.000 0.000 0.279 335 R C 0.019 176.322 176.300 0.005 0.000 0.976 335 R CA 0.168 56.265 56.100 -0.005 0.000 1.081 335 R CB 0.142 30.438 30.300 -0.006 0.000 1.215 335 R HN 0.315 nan 8.270 nan 0.000 0.546 336 D N -0.485 119.921 120.400 0.009 0.000 2.336 336 D HA 0.037 4.677 4.640 -0.000 0.000 0.229 336 D C 1.215 177.532 176.300 0.028 0.000 1.061 336 D CA 0.621 54.639 54.000 0.030 0.000 0.875 336 D CB 0.298 41.124 40.800 0.043 0.000 0.904 336 D HN 0.202 nan 8.370 nan 0.000 0.525 337 G N 0.597 109.405 108.800 0.013 0.000 2.194 337 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.236 337 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.236 337 G C 1.066 175.970 174.900 0.007 0.000 0.987 337 G CA 0.060 45.167 45.100 0.012 0.000 0.635 337 G HN 0.449 nan 8.290 nan 0.000 0.520 338 R N 0.071 120.572 120.500 0.001 0.000 2.565 338 R HA 0.452 4.792 4.340 -0.000 0.000 0.347 338 R C 1.110 177.397 176.300 -0.022 0.000 1.010 338 R CA 0.389 56.485 56.100 -0.007 0.000 1.126 338 R CB 1.157 31.455 30.300 -0.004 0.000 1.331 338 R HN 0.438 nan 8.270 nan 0.000 0.552 339 G N 0.142 108.929 108.800 -0.022 0.000 3.140 339 G HA2 0.333 4.293 3.960 -0.000 0.000 0.271 339 G HA3 0.333 4.293 3.960 -0.000 0.000 0.271 339 G C -1.211 173.676 174.900 -0.022 0.000 1.370 339 G CA -0.575 44.508 45.100 -0.029 0.000 1.014 339 G HN 0.003 nan 8.290 nan 0.000 0.541 340 Q N -0.023 119.763 119.800 -0.024 0.000 2.340 340 Q HA 0.488 4.828 4.340 -0.000 0.000 0.259 340 Q C -0.692 175.297 176.000 -0.018 0.000 0.964 340 Q CA -0.565 55.225 55.803 -0.020 0.000 0.900 340 Q CB 2.517 31.240 28.738 -0.024 0.000 1.228 340 Q HN 0.222 nan 8.270 nan 0.000 0.449 341 V N 3.505 123.411 119.914 -0.014 0.000 2.546 341 V HA 0.356 4.476 4.120 -0.000 0.000 0.284 341 V C 0.280 176.367 176.094 -0.012 0.000 1.050 341 V CA -0.218 62.075 62.300 -0.011 0.000 0.981 341 V CB 0.925 32.743 31.823 -0.009 0.000 0.990 341 V HN 0.677 nan 8.190 nan 0.000 0.474 342 R N 3.627 124.121 120.500 -0.010 0.000 2.795 342 R HA 0.438 4.778 4.340 -0.000 0.000 0.275 342 R C -2.801 173.496 176.300 -0.005 0.000 0.981 342 R CA -2.147 53.946 56.100 -0.011 0.000 0.917 342 R CB 2.262 32.551 30.300 -0.017 0.000 1.202 342 R HN 0.405 nan 8.270 nan 0.000 0.469 343 P HA -0.095 nan 4.420 nan 0.000 0.259 343 P C 0.455 177.757 177.300 0.003 0.000 1.163 343 P CA 1.444 64.543 63.100 -0.002 0.000 0.760 343 P CB 0.375 32.073 31.700 -0.003 0.000 0.762 344 G N 1.818 110.620 108.800 0.003 0.000 2.184 344 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 344 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 344 G C 0.435 175.338 174.900 0.005 0.000 0.975 344 G CA 0.063 45.166 45.100 0.005 0.000 0.642 344 G HN 0.548 nan 8.290 nan 0.000 0.536 345 D N 0.588 120.991 120.400 0.005 0.000 2.352 345 D HA 0.355 4.995 4.640 -0.000 0.000 0.238 345 D C 0.868 177.166 176.300 -0.003 0.000 1.286 345 D CA 0.789 54.794 54.000 0.008 0.000 0.923 345 D CB 0.046 40.848 40.800 0.003 0.000 1.146 345 D HN 0.205 nan 8.370 nan 0.000 0.471 346 D N -0.316 120.081 120.400 -0.004 0.000 2.746 346 D HA -0.191 4.449 4.640 -0.000 0.000 0.241 346 D C -0.401 175.872 176.300 -0.046 0.000 1.140 346 D CA 0.658 54.643 54.000 -0.025 0.000 0.707 346 D CB -0.581 40.204 40.800 -0.024 0.000 1.034 346 D HN 0.312 nan 8.370 nan 0.000 0.423 347 R N -1.200 119.268 120.500 -0.053 0.000 2.541 347 R HA 0.768 5.108 4.340 -0.000 0.000 0.254 347 R C 0.060 176.281 176.300 -0.133 0.000 1.130 347 R CA -0.890 55.154 56.100 -0.095 0.000 1.152 347 R CB 0.864 31.117 30.300 -0.079 0.000 1.222 347 R HN -0.031 nan 8.270 nan 0.000 0.579 348 V N 1.856 121.673 119.914 -0.162 0.000 2.417 348 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 348 V C -0.406 175.594 176.094 -0.156 0.000 1.024 348 V CA -0.619 61.596 62.300 -0.142 0.000 0.861 348 V CB 1.200 32.938 31.823 -0.143 0.000 0.985 348 V HN 0.412 nan 8.190 nan 0.000 0.436 349 L N 4.818 125.927 121.223 -0.190 0.000 2.330 349 L HA 0.724 5.064 4.340 -0.000 0.000 0.271 349 L C -0.121 176.568 176.870 -0.301 0.000 1.013 349 L CA -0.792 53.874 54.840 -0.290 0.000 0.816 349 L CB 1.952 43.720 42.059 -0.486 0.000 1.287 349 L HN 0.562 nan 8.230 nan 0.000 0.435 350 R N 1.832 122.105 120.500 -0.378 0.000 2.480 350 R HA 0.623 4.963 4.340 -0.000 0.000 0.306 350 R C -1.848 174.180 176.300 -0.454 0.000 0.958 350 R CA -0.688 55.050 56.100 -0.604 0.000 0.861 350 R CB 1.254 31.217 30.300 -0.561 0.000 1.171 350 R HN 0.420 nan 8.270 nan 0.000 0.445 351 L N 6.017 126.938 121.223 -0.504 0.000 2.287 351 L HA 0.404 4.744 4.340 -0.000 0.000 0.287 351 L C 0.230 176.946 176.870 -0.257 0.000 1.022 351 L CA -0.262 54.365 54.840 -0.354 0.000 0.814 351 L CB 1.339 43.159 42.059 -0.398 0.000 1.217 351 L HN 0.736 nan 8.230 nan 0.000 0.420 352 L N 0.000 121.145 121.223 -0.130 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 352 L CB 0.000 42.078 42.059 0.032 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502