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 2ih5_1_A DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTAYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VGEASKYPIH DATA SEQUENCE VFKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPSS DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.049 176.094 -0.076 0.000 1.182 21 V CA 0.000 62.217 62.300 -0.139 0.000 1.235 21 V CB 0.000 31.641 31.823 -0.303 0.000 1.184 22 E N 2.591 122.796 120.200 0.008 0.000 2.195 22 E HA 0.691 5.041 4.350 0.000 0.000 0.271 22 E C -0.508 176.188 176.600 0.159 0.000 0.923 22 E CA -0.644 55.796 56.400 0.067 0.000 0.790 22 E CB 2.094 31.830 29.700 0.059 0.000 1.155 22 E HN 0.854 nan 8.360 nan 0.000 0.402 23 T N 5.647 120.298 114.554 0.161 0.000 2.794 23 T HA 0.253 4.603 4.350 0.000 0.000 0.296 23 T C -2.370 172.380 174.700 0.084 0.000 0.949 23 T CA -1.167 61.080 62.100 0.246 0.000 1.101 23 T CB 0.914 69.922 68.868 0.232 0.000 0.905 23 T HN 0.373 nan 8.240 nan 0.000 0.516 24 P HA 0.112 nan 4.420 nan 0.000 0.266 24 P C -1.800 175.490 177.300 -0.018 0.000 1.195 24 P CA -1.328 61.767 63.100 -0.009 0.000 0.768 24 P CB 0.102 31.768 31.700 -0.057 0.000 0.838 25 P HA -0.224 nan 4.420 nan 0.000 0.216 25 P C 1.134 178.433 177.300 -0.002 0.000 1.154 25 P CA 1.625 64.701 63.100 -0.040 0.000 0.865 25 P CB 0.014 31.689 31.700 -0.041 0.000 0.789 26 E N -0.813 119.398 120.200 0.018 0.000 2.118 26 E HA -0.117 4.233 4.350 0.000 0.000 0.195 26 E C 2.016 178.798 176.600 0.304 0.000 0.992 26 E CA 0.898 57.341 56.400 0.071 0.000 0.804 26 E CB -1.131 28.505 29.700 -0.108 0.000 0.741 26 E HN 0.060 nan 8.360 nan 0.000 0.458 27 V N 0.001 120.081 119.914 0.277 0.000 2.307 27 V HA -0.222 3.899 4.120 0.000 0.000 0.245 27 V C 2.225 178.444 176.094 0.208 0.000 1.045 27 V CA 1.321 63.767 62.300 0.242 0.000 1.024 27 V CB -0.513 31.335 31.823 0.042 0.000 0.651 27 V HN 0.132 nan 8.190 nan 0.000 0.449 28 V N 0.499 120.449 119.914 0.059 0.000 2.252 28 V HA -0.317 3.803 4.120 0.000 0.000 0.249 28 V C 2.332 178.453 176.094 0.045 0.000 1.056 28 V CA 2.423 64.671 62.300 -0.087 0.000 1.022 28 V CB -0.801 30.768 31.823 -0.423 0.000 0.641 28 V HN 0.548 nan 8.190 nan 0.000 0.445 29 D N -0.643 119.793 120.400 0.059 0.000 2.117 29 D HA -0.174 4.466 4.640 0.000 0.000 0.197 29 D C 1.876 178.264 176.300 0.146 0.000 0.987 29 D CA 1.300 55.343 54.000 0.072 0.000 0.829 29 D CB -0.382 40.450 40.800 0.053 0.000 0.961 29 D HN 0.448 nan 8.370 nan 0.000 0.460 30 F N 1.156 121.148 119.950 0.070 0.000 2.095 30 F HA -0.148 4.378 4.527 -0.000 0.000 0.298 30 F C 2.306 178.095 175.800 -0.019 0.000 1.104 30 F CA 1.298 59.323 58.000 0.042 0.000 1.232 30 F CB -0.441 38.631 39.000 0.120 0.000 0.987 30 F HN -0.141 nan 8.300 nan 0.000 0.475 31 M N -0.635 118.871 119.600 -0.156 0.000 2.117 31 M HA -0.201 4.279 4.480 0.000 0.000 0.262 31 M C 2.057 178.320 176.300 -0.062 0.000 1.065 31 M CA 1.583 56.764 55.300 -0.197 0.000 1.114 31 M CB -0.621 32.061 32.600 0.136 0.000 1.361 31 M HN 0.020 nan 8.290 nan 0.000 0.408 32 V N 0.250 120.216 119.914 0.086 0.000 2.490 32 V HA -0.236 3.884 4.120 0.000 0.000 0.250 32 V C 2.498 178.652 176.094 0.101 0.000 1.061 32 V CA 2.071 64.473 62.300 0.170 0.000 1.064 32 V CB -0.947 30.962 31.823 0.143 0.000 0.670 32 V HN 0.639 nan 8.190 nan 0.000 0.461 33 S N -0.269 115.421 115.700 -0.016 0.000 2.447 33 S HA -0.025 4.445 4.470 0.000 0.000 0.233 33 S C 1.705 176.251 174.600 -0.090 0.000 1.006 33 S CA 1.117 59.302 58.200 -0.026 0.000 0.957 33 S CB -0.399 62.794 63.200 -0.012 0.000 0.773 33 S HN 0.571 nan 8.310 nan 0.000 0.507 34 L N 0.828 121.921 121.223 -0.216 0.000 2.529 34 L HA 0.418 4.759 4.340 0.000 0.000 0.223 34 L C 1.295 178.117 176.870 -0.079 0.000 1.113 34 L CA 0.043 54.735 54.840 -0.246 0.000 0.861 34 L CB -0.368 41.390 42.059 -0.501 0.000 1.012 34 L HN 0.346 nan 8.230 nan 0.000 0.461 35 A N 0.627 123.471 122.820 0.040 0.000 2.302 35 A HA 0.532 4.852 4.320 0.000 0.000 0.285 35 A C -0.278 177.410 177.584 0.173 0.000 1.105 35 A CA -0.063 52.054 52.037 0.133 0.000 0.816 35 A CB 0.842 20.008 19.000 0.276 0.000 1.067 35 A HN 0.221 nan 8.150 nan 0.000 0.489 36 E N -0.514 119.753 120.200 0.111 0.000 2.335 36 E HA 0.598 4.948 4.350 0.000 0.000 0.280 36 E C -1.277 175.358 176.600 0.058 0.000 0.918 36 E CA -0.476 55.965 56.400 0.068 0.000 0.765 36 E CB 2.062 31.777 29.700 0.024 0.000 1.218 36 E HN 1.123 nan 8.360 nan 0.000 0.425 37 A N 3.613 126.502 122.820 0.116 0.000 2.574 37 A HA 0.679 4.999 4.320 0.000 0.000 0.297 37 A C -2.781 174.943 177.584 0.234 0.000 1.062 37 A CA -1.218 50.896 52.037 0.128 0.000 0.686 37 A CB 1.348 20.375 19.000 0.046 0.000 1.285 37 A HN 0.418 nan 8.150 nan 0.000 0.403 38 P HA 0.275 nan 4.420 nan 0.000 0.275 38 P C -0.424 176.953 177.300 0.128 0.000 1.228 38 P CA -0.282 62.892 63.100 0.122 0.000 0.786 38 P CB 0.499 32.233 31.700 0.056 0.000 0.927 39 R N 0.733 121.227 120.500 -0.010 0.000 2.585 39 R HA 0.227 4.567 4.340 0.000 0.000 0.275 39 R C 1.409 177.601 176.300 -0.180 0.000 1.018 39 R CA 1.431 57.382 56.100 -0.248 0.000 1.072 39 R CB -0.497 29.671 30.300 -0.221 0.000 0.953 39 R HN 0.905 nan 8.270 nan 0.000 0.419 40 G N 1.813 110.450 108.800 -0.272 0.000 2.184 40 G HA2 -0.260 3.700 3.960 0.000 0.000 0.264 40 G HA3 -0.260 3.700 3.960 0.000 0.000 0.264 40 G C 0.497 175.379 174.900 -0.030 0.000 0.975 40 G CA -0.008 45.019 45.100 -0.122 0.000 0.642 40 G HN 0.904 nan 8.290 nan 0.000 0.536 41 G N -0.526 108.305 108.800 0.052 0.000 2.606 41 G HA2 0.506 4.466 3.960 0.000 0.000 0.252 41 G HA3 0.506 4.466 3.960 0.000 0.000 0.252 41 G C 0.131 175.077 174.900 0.076 0.000 1.206 41 G CA -0.517 44.641 45.100 0.096 0.000 0.861 41 G HN 0.520 nan 8.290 nan 0.000 0.561 42 R N -0.243 120.285 120.500 0.047 0.000 2.229 42 R HA 0.411 4.751 4.340 0.000 0.000 0.328 42 R C -0.781 175.651 176.300 0.220 0.000 1.009 42 R CA -0.408 55.745 56.100 0.088 0.000 0.864 42 R CB 1.633 31.886 30.300 -0.079 0.000 1.085 42 R HN 0.231 nan 8.270 nan 0.000 0.453 43 V N 5.255 125.245 119.914 0.128 0.000 2.448 43 V HA 0.364 4.484 4.120 0.000 0.000 0.295 43 V C -0.819 175.361 176.094 0.144 0.000 1.025 43 V CA -0.869 61.428 62.300 -0.006 0.000 0.859 43 V CB 1.628 33.233 31.823 -0.364 0.000 0.988 43 V HN 0.473 nan 8.190 nan 0.000 0.431 44 L N 4.257 125.479 121.223 -0.002 0.000 2.362 44 L HA 0.631 4.971 4.340 0.000 0.000 0.275 44 L C -0.368 176.441 176.870 -0.101 0.000 0.998 44 L CA -0.102 54.646 54.840 -0.154 0.000 0.820 44 L CB 1.824 43.454 42.059 -0.714 0.000 1.270 44 L HN 0.788 nan 8.230 nan 0.000 0.415 45 E N 6.531 126.693 120.200 -0.062 0.000 2.102 45 E HA 0.483 4.833 4.350 0.000 0.000 0.263 45 E C -2.536 173.942 176.600 -0.204 0.000 0.894 45 E CA -2.189 54.151 56.400 -0.099 0.000 0.746 45 E CB 1.318 31.016 29.700 -0.004 0.000 1.129 45 E HN 0.430 nan 8.360 nan 0.000 0.416 46 P HA 0.136 nan 4.420 nan 0.000 0.277 46 P C -0.813 176.308 177.300 -0.298 0.000 1.240 46 P CA 0.053 62.833 63.100 -0.533 0.000 0.798 46 P CB 1.202 32.228 31.700 -1.123 0.000 0.979 47 A N 1.375 124.108 122.820 -0.144 0.000 2.687 47 A HA -0.243 4.077 4.320 0.000 0.000 0.299 47 A C 1.382 178.875 177.584 -0.151 0.000 1.497 47 A CA 1.012 52.983 52.037 -0.109 0.000 0.751 47 A CB -2.402 16.457 19.000 -0.235 0.000 1.048 47 A HN 0.793 nan 8.150 nan 0.000 0.464 48 C N -2.808 116.416 119.300 -0.126 0.000 2.485 48 C HA 0.478 4.938 4.460 0.000 0.000 0.277 48 C C 2.367 177.281 174.990 -0.127 0.000 1.376 48 C CA 0.780 59.726 59.018 -0.120 0.000 1.759 48 C CB -1.160 26.519 27.740 -0.102 0.000 1.970 48 C HN 2.652 nan 8.230 nan 0.000 0.509 49 A N 2.445 125.216 122.820 -0.082 0.000 5.175 49 A HA -0.409 3.911 4.320 0.000 0.000 0.332 49 A C 1.385 178.962 177.584 -0.013 0.000 1.800 49 A CA 2.668 54.689 52.037 -0.026 0.000 0.707 49 A CB -2.504 16.513 19.000 0.028 0.000 1.405 49 A HN 1.373 nan 8.150 nan 0.000 0.388 50 H N 0.129 119.173 119.070 -0.043 0.000 2.539 50 H HA 0.467 5.023 4.556 0.000 0.000 0.267 50 H C 1.263 176.564 175.328 -0.045 0.000 0.982 50 H CA 0.994 57.011 56.048 -0.052 0.000 1.146 50 H CB -0.481 29.253 29.762 -0.047 0.000 1.382 50 H HN 2.366 nan 8.280 nan 0.000 0.577 51 G N 1.690 110.287 108.800 -0.338 0.000 2.326 51 G HA2 -0.226 3.734 3.960 0.000 0.000 0.286 51 G HA3 -0.226 3.734 3.960 0.000 0.000 0.286 51 G C -1.298 173.505 174.900 -0.161 0.000 1.096 51 G CA 0.081 45.076 45.100 -0.176 0.000 1.003 51 G HN 0.480 nan 8.290 nan 0.000 0.503 52 P HA -0.093 nan 4.420 nan 0.000 0.218 52 P C 1.575 178.781 177.300 -0.155 0.000 1.149 52 P CA 0.939 63.895 63.100 -0.240 0.000 0.817 52 P CB -0.036 31.456 31.700 -0.345 0.000 0.785 53 F N -0.384 119.548 119.950 -0.029 0.000 2.206 53 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 53 F C 2.609 178.492 175.800 0.138 0.000 1.090 53 F CA 0.872 58.902 58.000 0.050 0.000 1.323 53 F CB -1.216 37.799 39.000 0.024 0.000 1.028 53 F HN -0.272 nan 8.300 nan 0.000 0.492 54 L N -0.292 121.124 121.223 0.323 0.000 2.012 54 L HA -0.240 4.100 4.340 0.000 0.000 0.210 54 L C 2.548 179.590 176.870 0.287 0.000 1.073 54 L CA 1.512 56.571 54.840 0.365 0.000 0.748 54 L CB -0.668 41.608 42.059 0.362 0.000 0.891 54 L HN 0.053 nan 8.230 nan 0.000 0.431 55 R N -0.096 120.570 120.500 0.275 0.000 2.073 55 R HA -0.139 4.202 4.340 0.000 0.000 0.234 55 R C 2.457 178.789 176.300 0.053 0.000 1.134 55 R CA 1.415 57.642 56.100 0.213 0.000 0.952 55 R CB -0.555 29.861 30.300 0.194 0.000 0.850 55 R HN 0.369 nan 8.270 nan 0.000 0.433 56 A N 0.599 123.450 122.820 0.052 0.000 1.898 56 A HA -0.178 4.142 4.320 0.000 0.000 0.216 56 A C 1.977 179.572 177.584 0.018 0.000 1.181 56 A CA 1.042 53.079 52.037 -0.000 0.000 0.620 56 A CB -0.600 18.375 19.000 -0.041 0.000 0.819 56 A HN 0.345 nan 8.150 nan 0.000 0.442 57 F N 0.345 120.306 119.950 0.018 0.000 2.102 57 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 57 F C 2.392 178.198 175.800 0.010 0.000 1.105 57 F CA 2.039 60.073 58.000 0.058 0.000 1.239 57 F CB -0.223 38.894 39.000 0.195 0.000 0.991 57 F HN 0.175 nan 8.300 nan 0.000 0.474 58 R N 0.156 120.702 120.500 0.078 0.000 2.091 58 R HA -0.244 4.096 4.340 0.000 0.000 0.238 58 R C 2.263 178.439 176.300 -0.206 0.000 1.136 58 R CA 1.920 57.932 56.100 -0.148 0.000 0.959 58 R CB -0.427 29.394 30.300 -0.798 0.000 0.856 58 R HN 0.341 nan 8.270 nan 0.000 0.437 59 E N -0.014 120.064 120.200 -0.205 0.000 2.110 59 E HA -0.151 4.199 4.350 0.000 0.000 0.193 59 E C 1.566 178.031 176.600 -0.226 0.000 0.988 59 E CA 1.727 58.020 56.400 -0.178 0.000 0.804 59 E CB -0.122 29.502 29.700 -0.127 0.000 0.745 59 E HN 0.444 nan 8.360 nan 0.000 0.458 60 A N -0.894 121.706 122.820 -0.367 0.000 1.930 60 A HA -0.044 4.277 4.320 0.000 0.000 0.215 60 A C 1.329 178.515 177.584 -0.664 0.000 1.176 60 A CA 1.520 53.211 52.037 -0.576 0.000 0.632 60 A CB -0.406 18.098 19.000 -0.827 0.000 0.819 60 A HN 0.473 nan 8.150 nan 0.000 0.445 61 H N -2.099 116.780 119.070 -0.319 0.000 3.058 61 H HA 0.436 4.992 4.556 -0.000 0.000 0.266 61 H C 1.081 176.443 175.328 0.057 0.000 1.135 61 H CA 0.020 55.940 56.048 -0.214 0.000 1.174 61 H CB 0.692 30.137 29.762 -0.528 0.000 1.581 61 H HN 0.739 nan 8.280 nan 0.000 0.553 62 G N 0.730 109.589 108.800 0.098 0.000 2.681 62 G HA2 -0.338 3.622 3.960 0.000 0.000 0.220 62 G HA3 -0.338 3.622 3.960 0.000 0.000 0.220 62 G C 1.026 176.095 174.900 0.281 0.000 1.353 62 G CA 0.123 45.297 45.100 0.122 0.000 0.872 62 G HN 0.385 nan 8.290 nan 0.000 0.557 63 T N -2.444 112.211 114.554 0.168 0.000 3.022 63 T HA 0.564 4.914 4.350 0.000 0.000 0.250 63 T C 1.592 176.421 174.700 0.215 0.000 1.060 63 T CA 1.418 63.634 62.100 0.193 0.000 1.013 63 T CB 0.442 69.334 68.868 0.039 0.000 0.982 63 T HN 2.106 nan 8.240 nan 0.000 0.508 64 A N 1.167 123.966 122.820 -0.035 0.000 3.074 64 A HA 0.590 4.911 4.320 0.000 0.000 0.251 64 A C -0.856 176.297 177.584 -0.719 0.000 1.695 64 A CA -0.563 51.300 52.037 -0.289 0.000 1.343 64 A CB -1.136 17.683 19.000 -0.302 0.000 1.078 64 A HN 0.614 nan 8.150 nan 0.000 0.644 65 Y N -0.999 119.287 120.300 -0.023 0.000 2.615 65 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 65 Y C 0.057 175.776 175.900 -0.301 0.000 1.089 65 Y CA -1.351 56.590 58.100 -0.264 0.000 1.049 65 Y CB 1.226 39.319 38.460 -0.611 0.000 1.296 65 Y HN 0.177 nan 8.280 nan 0.000 0.470 66 R N 1.555 121.994 120.500 -0.101 0.000 2.215 66 R HA 0.406 4.746 4.340 0.000 0.000 0.336 66 R C -1.820 174.477 176.300 -0.005 0.000 0.996 66 R CA -0.640 55.476 56.100 0.026 0.000 0.847 66 R CB -0.189 30.155 30.300 0.072 0.000 1.127 66 R HN 0.475 nan 8.270 nan 0.000 0.465 67 F N 1.618 121.778 119.950 0.349 0.000 2.420 67 F HA 0.468 4.995 4.527 -0.000 0.000 0.342 67 F C 0.457 176.432 175.800 0.293 0.000 1.113 67 F CA -0.787 57.429 58.000 0.360 0.000 1.059 67 F CB 1.568 40.897 39.000 0.549 0.000 1.128 67 F HN -0.002 nan 8.300 nan 0.000 0.475 68 V N 1.766 121.933 119.914 0.423 0.000 2.789 68 V HA 0.873 4.993 4.120 0.000 0.000 0.311 68 V C -0.174 176.004 176.094 0.140 0.000 1.073 68 V CA -0.887 61.589 62.300 0.293 0.000 0.921 68 V CB 1.988 34.072 31.823 0.435 0.000 1.009 68 V HN 0.901 nan 8.190 nan 0.000 0.426 69 G N 2.086 110.904 108.800 0.030 0.000 2.687 69 G HA2 0.651 4.611 3.960 0.000 0.000 0.301 69 G HA3 0.651 4.611 3.960 0.000 0.000 0.301 69 G C -1.613 173.193 174.900 -0.156 0.000 1.416 69 G CA -0.516 44.546 45.100 -0.063 0.000 1.005 69 G HN 0.549 nan 8.290 nan 0.000 0.509 70 V N 1.499 121.280 119.914 -0.223 0.000 2.448 70 V HA 0.686 4.806 4.120 0.000 0.000 0.295 70 V C -0.526 175.482 176.094 -0.143 0.000 1.025 70 V CA -0.672 61.457 62.300 -0.284 0.000 0.859 70 V CB 1.561 33.105 31.823 -0.466 0.000 0.988 70 V HN 0.851 nan 8.190 nan 0.000 0.431 71 E N 3.207 123.345 120.200 -0.102 0.000 2.290 71 E HA 0.437 4.787 4.350 0.000 0.000 0.274 71 E C -0.156 176.442 176.600 -0.003 0.000 0.889 71 E CA -0.508 55.868 56.400 -0.039 0.000 0.760 71 E CB 1.999 31.671 29.700 -0.047 0.000 1.206 71 E HN 0.515 nan 8.360 nan 0.000 0.419 72 I N 1.894 122.489 120.570 0.043 0.000 3.030 72 I HA 0.110 4.280 4.170 0.000 0.000 0.270 72 I C -0.060 176.086 176.117 0.049 0.000 1.211 72 I CA 0.470 61.810 61.300 0.068 0.000 1.479 72 I CB 0.534 38.607 38.000 0.122 0.000 1.105 72 I HN 0.439 nan 8.210 nan 0.000 0.447 73 D N 0.695 121.114 120.400 0.030 0.000 2.412 73 D HA 0.192 4.833 4.640 0.000 0.000 0.224 73 D C -1.810 174.497 176.300 0.013 0.000 1.093 73 D CA -2.569 51.446 54.000 0.024 0.000 0.850 73 D CB 1.577 42.387 40.800 0.017 0.000 1.046 73 D HN -0.023 nan 8.370 nan 0.000 0.507 74 P HA -0.119 nan 4.420 nan 0.000 0.218 74 P C 0.829 178.131 177.300 0.003 0.000 1.148 74 P CA 1.167 64.271 63.100 0.007 0.000 0.822 74 P CB 0.316 32.023 31.700 0.013 0.000 0.784 75 K N -0.778 119.625 120.400 0.006 0.000 2.283 75 K HA 0.005 4.326 4.320 0.000 0.000 0.202 75 K C 1.945 178.544 176.600 -0.000 0.000 1.048 75 K CA 1.251 57.539 56.287 0.002 0.000 0.948 75 K CB -0.310 32.192 32.500 0.004 0.000 0.742 75 K HN 0.094 nan 8.250 nan 0.000 0.458 76 A N 0.704 123.525 122.820 0.001 0.000 2.044 76 A HA 0.075 4.395 4.320 0.000 0.000 0.213 76 A C 0.667 178.254 177.584 0.005 0.000 1.169 76 A CA -0.212 51.827 52.037 0.004 0.000 0.724 76 A CB 0.065 19.066 19.000 0.002 0.000 0.840 76 A HN 0.191 nan 8.150 nan 0.000 0.463 77 L N 1.319 122.537 121.223 -0.008 0.000 2.500 77 L HA 0.335 4.675 4.340 0.000 0.000 0.272 77 L C -0.845 176.013 176.870 -0.021 0.000 1.149 77 L CA 0.511 55.338 54.840 -0.022 0.000 0.897 77 L CB 0.214 42.254 42.059 -0.031 0.000 1.178 77 L HN 0.199 nan 8.230 nan 0.000 0.473 78 D N 4.969 125.357 120.400 -0.019 0.000 2.823 78 D HA 0.262 4.902 4.640 0.000 0.000 0.255 78 D C -1.291 174.976 176.300 -0.054 0.000 1.257 78 D CA -0.195 53.792 54.000 -0.022 0.000 0.803 78 D CB 0.020 40.827 40.800 0.012 0.000 1.384 78 D HN 0.447 nan 8.370 nan 0.000 0.541 79 L N 1.677 122.827 121.223 -0.122 0.000 2.331 79 L HA 0.660 5.000 4.340 0.000 0.000 0.275 79 L C -1.711 174.963 176.870 -0.327 0.000 1.022 79 L CA -1.842 52.852 54.840 -0.243 0.000 0.812 79 L CB 1.302 43.207 42.059 -0.257 0.000 1.257 79 L HN 0.119 nan 8.230 nan 0.000 0.435 80 P HA 0.176 nan 4.420 nan 0.000 0.273 80 P C -2.174 174.765 177.300 -0.601 0.000 1.250 80 P CA -1.118 61.618 63.100 -0.606 0.000 0.793 80 P CB -0.050 31.090 31.700 -0.933 0.000 1.011 81 P HA -0.124 nan 4.420 nan 0.000 0.219 81 P C 1.073 178.347 177.300 -0.043 0.000 1.146 81 P CA 1.215 64.237 63.100 -0.130 0.000 0.808 81 P CB -0.397 31.298 31.700 -0.008 0.000 0.779 82 W N -0.874 120.463 121.300 0.062 0.000 2.825 82 W HA 0.405 5.065 4.660 -0.000 0.000 0.243 82 W C -0.046 176.574 176.519 0.169 0.000 1.293 82 W CA -0.099 57.310 57.345 0.107 0.000 1.403 82 W CB -0.776 28.736 29.460 0.085 0.000 1.134 82 W HN -0.115 nan 8.180 nan 0.000 0.666 83 A N 1.479 124.263 122.820 -0.061 0.000 2.340 83 A HA 0.396 4.716 4.320 0.000 0.000 0.331 83 A C -0.638 176.982 177.584 0.061 0.000 1.140 83 A CA -0.689 51.394 52.037 0.078 0.000 0.801 83 A CB 1.323 20.173 19.000 -0.250 0.000 1.234 83 A HN 0.217 nan 8.150 nan 0.000 0.469 84 E N 1.585 121.879 120.200 0.156 0.000 2.229 84 E HA 0.451 4.801 4.350 0.000 0.000 0.283 84 E C 0.195 176.829 176.600 0.057 0.000 1.030 84 E CA -0.295 56.172 56.400 0.110 0.000 0.836 84 E CB 0.911 30.710 29.700 0.165 0.000 1.068 84 E HN 0.748 nan 8.360 nan 0.000 0.401 85 G N 4.455 113.259 108.800 0.006 0.000 2.348 85 G HA2 0.543 4.503 3.960 0.000 0.000 0.312 85 G HA3 0.543 4.503 3.960 0.000 0.000 0.312 85 G C -0.629 174.250 174.900 -0.036 0.000 1.126 85 G CA -0.549 44.531 45.100 -0.034 0.000 0.865 85 G HN 0.552 nan 8.290 nan 0.000 0.474 86 I N 1.655 122.164 120.570 -0.101 0.000 2.447 86 I HA 0.240 4.410 4.170 0.000 0.000 0.287 86 I C -0.432 175.595 176.117 -0.151 0.000 1.023 86 I CA -0.540 60.674 61.300 -0.143 0.000 1.083 86 I CB 2.320 40.135 38.000 -0.308 0.000 1.245 86 I HN 0.150 nan 8.210 nan 0.000 0.434 87 L N 6.902 128.079 121.223 -0.076 0.000 2.302 87 L HA 0.735 5.075 4.340 0.000 0.000 0.285 87 L C 0.076 176.931 176.870 -0.025 0.000 1.090 87 L CA -0.035 54.780 54.840 -0.041 0.000 0.866 87 L CB 0.449 42.504 42.059 -0.006 0.000 1.244 87 L HN 0.745 nan 8.230 nan 0.000 0.435 88 A N 2.052 124.851 122.820 -0.036 0.000 2.601 88 A HA 0.368 4.688 4.320 0.000 0.000 0.291 88 A C -1.499 176.132 177.584 0.078 0.000 1.075 88 A CA -0.718 51.331 52.037 0.019 0.000 0.671 88 A CB 1.434 20.419 19.000 -0.025 0.000 1.277 88 A HN 0.445 nan 8.150 nan 0.000 0.417 89 D N 0.936 121.426 120.400 0.150 0.000 2.342 89 D HA 0.145 4.785 4.640 0.000 0.000 0.260 89 D C 0.885 177.321 176.300 0.228 0.000 1.278 89 D CA -0.214 53.917 54.000 0.219 0.000 0.910 89 D CB 0.038 40.994 40.800 0.260 0.000 1.079 89 D HN 0.427 nan 8.370 nan 0.000 0.496 90 F N 4.446 124.426 119.950 0.050 0.000 2.115 90 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 90 F C 1.629 177.446 175.800 0.028 0.000 1.092 90 F CA 1.480 59.481 58.000 0.002 0.000 1.245 90 F CB -0.067 38.821 39.000 -0.186 0.000 0.995 90 F HN 0.468 nan 8.300 nan 0.000 0.481 91 L N -0.362 120.769 121.223 -0.152 0.000 2.275 91 L HA -0.163 4.177 4.340 0.000 0.000 0.215 91 L C 1.807 178.725 176.870 0.081 0.000 1.119 91 L CA 0.813 55.596 54.840 -0.095 0.000 0.790 91 L CB -0.476 41.506 42.059 -0.128 0.000 0.919 91 L HN 0.250 nan 8.230 nan 0.000 0.443 92 L N -2.477 118.825 121.223 0.132 0.000 2.693 92 L HA 0.103 4.443 4.340 0.000 0.000 0.235 92 L C 0.293 177.229 176.870 0.110 0.000 1.127 92 L CA -0.557 54.349 54.840 0.110 0.000 0.914 92 L CB 0.079 42.236 42.059 0.162 0.000 1.193 92 L HN 0.234 nan 8.230 nan 0.000 0.502 93 W N 2.883 124.126 121.300 -0.095 0.000 2.266 93 W HA 0.185 4.845 4.660 -0.000 0.000 0.317 93 W C 0.068 176.543 176.519 -0.074 0.000 1.310 93 W CA -0.172 57.137 57.345 -0.060 0.000 1.207 93 W CB 0.662 30.104 29.460 -0.031 0.000 1.199 93 W HN -0.103 nan 8.180 nan 0.000 0.544 94 E N 8.238 128.204 120.200 -0.389 0.000 2.256 94 E HA 0.223 4.573 4.350 0.000 0.000 0.243 94 E C -2.032 174.175 176.600 -0.654 0.000 0.925 94 E CA -1.733 54.371 56.400 -0.494 0.000 0.748 94 E CB 0.473 30.036 29.700 -0.227 0.000 1.206 94 E HN 0.371 nan 8.360 nan 0.000 0.428 95 P HA 0.110 nan 4.420 nan 0.000 0.274 95 P C 1.014 178.141 177.300 -0.288 0.000 1.237 95 P CA -0.269 62.450 63.100 -0.635 0.000 0.793 95 P CB 1.041 32.318 31.700 -0.704 0.000 0.977 96 G N 0.196 108.911 108.800 -0.142 0.000 2.443 96 G HA2 -0.118 3.842 3.960 0.000 0.000 0.219 96 G HA3 -0.118 3.842 3.960 0.000 0.000 0.219 96 G C 0.495 175.317 174.900 -0.130 0.000 1.131 96 G CA 0.511 45.548 45.100 -0.106 0.000 0.775 96 G HN 0.667 nan 8.290 nan 0.000 0.547 97 E N -0.872 119.220 120.200 -0.181 0.000 2.340 97 E HA 0.601 4.951 4.350 0.000 0.000 0.273 97 E C -0.368 176.036 176.600 -0.326 0.000 0.891 97 E CA -0.907 55.361 56.400 -0.221 0.000 0.757 97 E CB 2.031 31.595 29.700 -0.226 0.000 1.231 97 E HN 0.125 nan 8.360 nan 0.000 0.439 98 A N 2.251 124.933 122.820 -0.231 0.000 2.280 98 A HA 0.542 4.862 4.320 0.000 0.000 0.268 98 A C -0.899 176.493 177.584 -0.320 0.000 1.111 98 A CA -0.024 51.931 52.037 -0.136 0.000 0.814 98 A CB 0.205 19.195 19.000 -0.017 0.000 1.093 98 A HN 0.485 nan 8.150 nan 0.000 0.498 99 F N -1.177 118.795 119.950 0.037 0.000 2.561 99 F HA 0.320 4.847 4.527 0.000 0.000 0.321 99 F C 0.986 176.802 175.800 0.027 0.000 1.065 99 F CA -0.497 57.532 58.000 0.048 0.000 0.934 99 F CB 2.066 41.119 39.000 0.089 0.000 1.215 99 F HN 0.671 nan 8.300 nan 0.000 0.471 100 D N 0.864 121.374 120.400 0.183 0.000 2.213 100 D HA 0.036 4.677 4.640 0.000 0.000 0.205 100 D C -0.188 176.157 176.300 0.075 0.000 0.961 100 D CA 1.230 55.287 54.000 0.096 0.000 0.853 100 D CB 0.689 41.526 40.800 0.061 0.000 0.967 100 D HN 0.139 nan 8.370 nan 0.000 0.496 101 L N 0.687 121.956 121.223 0.075 0.000 2.464 101 L HA 0.426 4.767 4.340 0.000 0.000 0.266 101 L C -1.799 175.052 176.870 -0.032 0.000 0.965 101 L CA -0.506 54.313 54.840 -0.034 0.000 0.833 101 L CB 2.361 44.295 42.059 -0.208 0.000 1.296 101 L HN -0.220 nan 8.230 nan 0.000 0.405 102 I N 6.362 126.898 120.570 -0.057 0.000 2.466 102 I HA 0.573 4.743 4.170 0.000 0.000 0.289 102 I C -0.930 175.147 176.117 -0.068 0.000 1.026 102 I CA -0.688 60.566 61.300 -0.077 0.000 1.078 102 I CB 1.822 39.780 38.000 -0.071 0.000 1.249 102 I HN 0.650 nan 8.210 nan 0.000 0.429 103 L N 3.904 125.102 121.223 -0.041 0.000 2.424 103 L HA 1.122 5.463 4.340 0.000 0.000 0.258 103 L C -0.479 176.208 176.870 -0.306 0.000 0.995 103 L CA -0.317 54.478 54.840 -0.074 0.000 0.821 103 L CB 2.416 44.421 42.059 -0.090 0.000 1.383 103 L HN 0.735 nan 8.230 nan 0.000 0.410 104 G N 1.394 109.773 108.800 -0.702 0.000 2.352 104 G HA2 0.098 4.059 3.960 0.000 0.000 0.283 104 G HA3 0.098 4.059 3.960 0.000 0.000 0.283 104 G C -2.254 172.019 174.900 -1.044 0.000 1.308 104 G CA -0.532 43.770 45.100 -1.330 0.000 0.892 104 G HN 0.882 nan 8.290 nan 0.000 0.504 105 N N 1.613 119.861 118.700 -0.753 0.000 2.623 105 N HA 0.553 5.293 4.740 0.000 0.000 0.256 105 N C -2.454 172.684 175.510 -0.620 0.000 1.045 105 N CA -1.504 51.264 53.050 -0.470 0.000 0.863 105 N CB 2.153 40.595 38.487 -0.075 0.000 1.182 105 N HN 0.434 nan 8.380 nan 0.000 0.523 106 P HA 0.358 nan 4.420 nan 0.000 0.274 106 P C -2.788 174.069 177.300 -0.739 0.000 1.246 106 P CA -1.122 61.387 63.100 -0.986 0.000 0.795 106 P CB 0.061 31.131 31.700 -1.050 0.000 1.006 107 P HA 0.089 nan 4.420 nan 0.000 0.271 107 P C -1.012 176.172 177.300 -0.193 0.000 1.218 107 P CA 0.459 63.241 63.100 -0.529 0.000 0.780 107 P CB 0.089 31.545 31.700 -0.407 0.000 0.901 108 Y N 0.572 120.728 120.300 -0.240 0.000 2.377 108 Y HA 0.737 5.288 4.550 0.001 0.000 0.339 108 Y C 1.109 176.978 175.900 -0.052 0.000 1.011 108 Y CA -1.165 56.877 58.100 -0.096 0.000 1.093 108 Y CB 1.753 40.133 38.460 -0.133 0.000 1.201 108 Y HN 0.766 nan 8.280 nan 0.000 0.455 109 G N 1.708 110.614 108.800 0.177 0.000 2.358 109 G HA2 0.280 4.240 3.960 0.000 0.000 0.303 109 G HA3 0.280 4.240 3.960 0.000 0.000 0.303 109 G C -1.857 173.083 174.900 0.067 0.000 1.537 109 G CA -1.147 44.020 45.100 0.111 0.000 0.928 109 G HN 0.501 nan 8.290 nan 0.000 0.656 110 I N 0.879 121.496 120.570 0.079 0.000 2.441 110 I HA 0.264 4.435 4.170 0.000 0.000 0.287 110 I C 0.712 176.865 176.117 0.060 0.000 1.049 110 I CA -0.769 60.533 61.300 0.004 0.000 1.381 110 I CB 1.582 39.547 38.000 -0.060 0.000 1.409 110 I HN 0.225 nan 8.210 nan 0.000 0.523 111 V N 6.497 126.466 119.914 0.093 0.000 2.439 111 V HA 0.591 4.712 4.120 0.000 0.000 0.271 111 V C 0.720 176.882 176.094 0.112 0.000 1.040 111 V CA 0.283 62.695 62.300 0.187 0.000 1.002 111 V CB -0.016 32.030 31.823 0.371 0.000 1.000 111 V HN 1.050 nan 8.190 nan 0.000 0.477 112 G N 3.738 112.665 108.800 0.211 0.000 2.342 112 G HA2 0.316 4.276 3.960 0.000 0.000 0.297 112 G HA3 0.316 4.276 3.960 0.000 0.000 0.297 112 G C -0.940 174.191 174.900 0.385 0.000 1.313 112 G CA -0.770 44.483 45.100 0.254 0.000 0.830 112 G HN 0.645 nan 8.290 nan 0.000 0.506 113 E N 0.154 120.559 120.200 0.341 0.000 2.452 113 E HA 0.337 4.687 4.350 0.000 0.000 0.261 113 E C 1.573 178.260 176.600 0.145 0.000 0.987 113 E CA 0.436 56.946 56.400 0.183 0.000 0.926 113 E CB 1.076 30.860 29.700 0.140 0.000 0.934 113 E HN 0.770 nan 8.360 nan 0.000 0.452 114 A N 3.646 126.417 122.820 -0.082 0.000 2.019 114 A HA -0.202 4.118 4.320 0.000 0.000 0.219 114 A C 2.114 179.673 177.584 -0.043 0.000 1.164 114 A CA 1.765 53.670 52.037 -0.220 0.000 0.644 114 A CB -0.652 17.931 19.000 -0.695 0.000 0.805 114 A HN 0.754 nan 8.150 nan 0.000 0.449 115 S N -1.216 114.456 115.700 -0.046 0.000 2.469 115 S HA -0.108 4.362 4.470 0.000 0.000 0.238 115 S C 1.541 176.094 174.600 -0.079 0.000 0.998 115 S CA 1.719 59.893 58.200 -0.044 0.000 0.957 115 S CB -0.028 63.152 63.200 -0.033 0.000 0.764 115 S HN 0.516 nan 8.310 nan 0.000 0.514 116 K N -1.052 119.266 120.400 -0.135 0.000 2.550 116 K HA 0.376 4.696 4.320 0.000 0.000 0.205 116 K C -0.927 175.320 176.600 -0.588 0.000 1.429 116 K CA 0.003 56.045 56.287 -0.409 0.000 0.997 116 K CB 0.560 32.703 32.500 -0.594 0.000 1.328 116 K HN 0.389 nan 8.250 nan 0.000 0.546 117 Y N 0.222 120.603 120.300 0.135 0.000 2.524 117 Y HA 0.366 4.916 4.550 -0.000 0.000 0.344 117 Y C -1.930 174.090 175.900 0.199 0.000 1.012 117 Y CA -2.501 55.685 58.100 0.144 0.000 1.068 117 Y CB 1.781 40.322 38.460 0.136 0.000 1.249 117 Y HN -0.111 nan 8.280 nan 0.000 0.468 118 P HA 0.056 nan 4.420 nan 0.000 0.234 118 P C -0.078 176.949 177.300 -0.454 0.000 1.175 118 P CA 1.070 64.154 63.100 -0.026 0.000 0.801 118 P CB 1.102 32.803 31.700 0.002 0.000 0.891 119 I N 1.576 122.023 120.570 -0.205 0.000 2.304 119 I HA 0.212 4.382 4.170 0.000 0.000 0.291 119 I C 0.083 176.139 176.117 -0.102 0.000 1.018 119 I CA -0.964 60.207 61.300 -0.215 0.000 1.260 119 I CB -0.167 37.845 38.000 0.021 0.000 1.390 119 I HN 0.011 nan 8.210 nan 0.000 0.475 120 H N 5.283 124.385 119.070 0.053 0.000 2.595 120 H HA 0.606 5.162 4.556 0.000 0.000 0.313 120 H C -0.112 175.163 175.328 -0.088 0.000 1.023 120 H CA -0.833 55.207 56.048 -0.013 0.000 1.218 120 H CB 1.858 31.594 29.762 -0.043 0.000 1.403 120 H HN 0.483 nan 8.280 nan 0.000 0.477 121 V N 0.261 120.179 119.914 0.006 0.000 2.962 121 V HA 0.527 4.647 4.120 0.000 0.000 0.313 121 V C -0.539 175.455 176.094 -0.167 0.000 1.099 121 V CA -1.233 60.998 62.300 -0.115 0.000 0.971 121 V CB 1.335 33.156 31.823 -0.004 0.000 1.028 121 V HN 0.401 nan 8.190 nan 0.000 0.430 122 F N 1.809 121.762 119.950 0.006 0.000 2.553 122 F HA 0.337 4.864 4.527 0.000 0.000 0.356 122 F C 1.837 177.606 175.800 -0.052 0.000 1.142 122 F CA 0.581 58.571 58.000 -0.016 0.000 1.322 122 F CB 0.563 39.549 39.000 -0.024 0.000 1.126 122 F HN 0.832 nan 8.300 nan 0.000 0.599 123 K N 2.161 122.649 120.400 0.148 0.000 2.113 123 K HA -0.236 4.084 4.320 0.000 0.000 0.208 123 K C 2.024 178.615 176.600 -0.015 0.000 1.047 123 K CA 1.471 57.784 56.287 0.043 0.000 0.928 123 K CB -0.214 32.311 32.500 0.042 0.000 0.716 123 K HN 0.775 nan 8.250 nan 0.000 0.446 124 A N 0.546 123.371 122.820 0.008 0.000 1.940 124 A HA -0.126 4.194 4.320 0.000 0.000 0.219 124 A C 2.211 179.724 177.584 -0.119 0.000 1.176 124 A CA 1.754 53.760 52.037 -0.051 0.000 0.631 124 A CB -0.573 18.401 19.000 -0.044 0.000 0.814 124 A HN 0.190 nan 8.150 nan 0.000 0.446 125 V N -0.050 119.792 119.914 -0.121 0.000 2.358 125 V HA -0.240 3.880 4.120 0.000 0.000 0.246 125 V C 2.495 178.217 176.094 -0.620 0.000 1.047 125 V CA 2.286 64.393 62.300 -0.323 0.000 1.035 125 V CB -0.618 31.066 31.823 -0.232 0.000 0.658 125 V HN 0.630 nan 8.190 nan 0.000 0.452 126 K N -0.123 120.033 120.400 -0.407 0.000 2.057 126 K HA -0.219 4.101 4.320 0.000 0.000 0.207 126 K C 1.879 178.256 176.600 -0.372 0.000 1.049 126 K CA 1.785 57.847 56.287 -0.375 0.000 0.931 126 K CB -0.202 32.215 32.500 -0.138 0.000 0.714 126 K HN 0.465 nan 8.250 nan 0.000 0.440 127 D N 0.908 121.150 120.400 -0.263 0.000 2.117 127 D HA -0.177 4.463 4.640 0.000 0.000 0.197 127 D C 1.977 178.129 176.300 -0.246 0.000 0.987 127 D CA 0.971 54.833 54.000 -0.229 0.000 0.829 127 D CB -0.163 40.546 40.800 -0.152 0.000 0.961 127 D HN 0.225 nan 8.370 nan 0.000 0.460 128 L N 0.074 121.150 121.223 -0.244 0.000 2.046 128 L HA -0.219 4.121 4.340 0.000 0.000 0.208 128 L C 2.549 179.322 176.870 -0.162 0.000 1.077 128 L CA 0.945 55.666 54.840 -0.199 0.000 0.747 128 L CB -0.442 41.513 42.059 -0.173 0.000 0.896 128 L HN 0.054 nan 8.230 nan 0.000 0.432 129 Y N 0.678 120.815 120.300 -0.272 0.000 2.128 129 Y HA -0.269 4.281 4.550 0.000 0.000 0.284 129 Y C 2.568 178.191 175.900 -0.462 0.000 1.154 129 Y CA 0.925 58.856 58.100 -0.281 0.000 1.149 129 Y CB -0.913 37.363 38.460 -0.308 0.000 0.976 129 Y HN 0.150 nan 8.280 nan 0.000 0.505 130 K N 0.235 120.316 120.400 -0.531 0.000 2.063 130 K HA -0.214 4.106 4.320 0.000 0.000 0.208 130 K C 2.190 178.626 176.600 -0.274 0.000 1.048 130 K CA 1.581 57.554 56.287 -0.524 0.000 0.928 130 K CB -0.215 31.965 32.500 -0.532 0.000 0.713 130 K HN 0.192 nan 8.250 nan 0.000 0.442 131 K N 0.958 121.204 120.400 -0.257 0.000 2.032 131 K HA -0.168 4.152 4.320 0.000 0.000 0.209 131 K C 2.126 178.562 176.600 -0.273 0.000 1.048 131 K CA 1.456 57.613 56.287 -0.217 0.000 0.927 131 K CB -0.120 32.266 32.500 -0.190 0.000 0.712 131 K HN 0.155 nan 8.250 nan 0.000 0.441 132 A N 0.301 122.860 122.820 -0.435 0.000 1.969 132 A HA -0.003 4.317 4.320 0.000 0.000 0.218 132 A C 0.272 177.415 177.584 -0.734 0.000 1.169 132 A CA 0.782 52.385 52.037 -0.725 0.000 0.635 132 A CB -0.118 18.164 19.000 -1.196 0.000 0.810 132 A HN 0.227 nan 8.150 nan 0.000 0.445 133 F N 0.012 119.925 119.950 -0.063 0.000 2.347 133 F HA 0.317 4.844 4.527 0.000 0.000 0.366 133 F C 1.514 177.258 175.800 -0.093 0.000 1.107 133 F CA -0.704 57.260 58.000 -0.059 0.000 1.058 133 F CB 1.329 40.386 39.000 0.095 0.000 1.236 133 F HN 0.130 nan 8.300 nan 0.000 0.456 134 S N -0.229 115.470 115.700 -0.001 0.000 2.447 134 S HA -0.167 4.303 4.470 0.000 0.000 0.233 134 S C 1.728 176.266 174.600 -0.103 0.000 1.006 134 S CA 1.399 59.565 58.200 -0.057 0.000 0.957 134 S CB -0.766 62.401 63.200 -0.056 0.000 0.773 134 S HN 0.705 nan 8.310 nan 0.000 0.507 135 T N -3.512 110.936 114.554 -0.176 0.000 3.100 135 T HA 0.078 4.428 4.350 0.000 0.000 0.253 135 T C 0.427 174.771 174.700 -0.592 0.000 1.118 135 T CA -0.548 61.387 62.100 -0.275 0.000 1.058 135 T CB -0.527 68.192 68.868 -0.249 0.000 0.953 135 T HN 0.529 nan 8.240 nan 0.000 0.515 136 W N 3.191 124.073 121.300 -0.697 0.000 2.397 136 W HA 0.401 5.062 4.660 0.001 0.000 0.327 136 W C -0.192 175.902 176.519 -0.709 0.000 1.421 136 W CA -0.060 56.669 57.345 -1.027 0.000 1.288 136 W CB 0.120 29.369 29.460 -0.350 0.000 1.312 136 W HN 0.200 nan 8.180 nan 0.000 0.559 137 K N 4.850 124.758 120.400 -0.820 0.000 2.523 137 K HA 0.463 4.783 4.320 0.000 0.000 0.257 137 K C 0.480 176.931 176.600 -0.249 0.000 0.932 137 K CA 0.199 56.290 56.287 -0.325 0.000 0.812 137 K CB 1.195 33.518 32.500 -0.295 0.000 1.326 137 K HN 0.703 nan 8.250 nan 0.000 0.433 138 G N 3.215 111.961 108.800 -0.090 0.000 2.582 138 G HA2 -0.363 3.598 3.960 0.000 0.000 0.288 138 G HA3 -0.363 3.598 3.960 0.000 0.000 0.288 138 G C 0.460 175.336 174.900 -0.040 0.000 1.247 138 G CA 0.498 45.558 45.100 -0.068 0.000 0.972 138 G HN 0.723 nan 8.290 nan 0.000 0.557 139 K N -1.090 119.252 120.400 -0.097 0.000 2.155 139 K HA 0.132 4.452 4.320 0.000 0.000 0.203 139 K C 1.292 177.764 176.600 -0.213 0.000 1.052 139 K CA 0.979 57.198 56.287 -0.114 0.000 0.948 139 K CB -0.029 32.346 32.500 -0.209 0.000 0.728 139 K HN 0.611 nan 8.250 nan 0.000 0.448 140 Y N 0.308 120.245 120.300 -0.605 0.000 2.918 140 Y HA -0.392 4.158 4.550 -0.000 0.000 0.464 140 Y C -0.222 175.248 175.900 -0.717 0.000 1.212 140 Y CA 0.629 58.148 58.100 -0.968 0.000 2.442 140 Y CB -0.547 36.906 38.460 -1.678 0.000 1.248 140 Y HN 0.308 nan 8.280 nan 0.000 0.636 141 N N -0.098 117.900 118.700 -1.169 0.000 2.710 141 N HA 0.225 4.965 4.740 0.000 0.000 0.257 141 N C 0.252 175.391 175.510 -0.618 0.000 1.140 141 N CA 0.081 52.729 53.050 -0.670 0.000 0.953 141 N CB 0.940 39.127 38.487 -0.498 0.000 1.664 141 N HN 0.681 nan 8.380 nan 0.000 0.497 142 L N 1.946 123.051 121.223 -0.197 0.000 2.089 142 L HA -0.257 4.083 4.340 0.000 0.000 0.213 142 L C 2.235 179.111 176.870 0.010 0.000 1.079 142 L CA 1.933 56.769 54.840 -0.007 0.000 0.758 142 L CB -0.603 41.509 42.059 0.089 0.000 0.891 142 L HN 0.710 nan 8.230 nan 0.000 0.433 143 Y N -0.883 119.342 120.300 -0.125 0.000 2.293 143 Y HA -0.023 4.526 4.550 -0.000 0.000 0.291 143 Y C 2.242 178.066 175.900 -0.128 0.000 1.137 143 Y CA 1.008 59.032 58.100 -0.127 0.000 1.202 143 Y CB -0.993 37.335 38.460 -0.219 0.000 0.990 143 Y HN -0.024 nan 8.280 nan 0.000 0.537 144 G N 0.690 109.059 108.800 -0.718 0.000 2.394 144 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 144 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 144 G C 1.806 176.552 174.900 -0.258 0.000 1.165 144 G CA 0.883 45.637 45.100 -0.577 0.000 0.784 144 G HN 0.628 nan 8.290 nan 0.000 0.535 145 A N 0.453 123.092 122.820 -0.303 0.000 1.908 145 A HA 0.066 4.386 4.320 0.000 0.000 0.218 145 A C 2.191 179.511 177.584 -0.439 0.000 1.181 145 A CA 1.332 53.057 52.037 -0.521 0.000 0.627 145 A CB -0.616 18.106 19.000 -0.463 0.000 0.818 145 A HN 0.323 nan 8.150 nan 0.000 0.445 146 F N -0.228 119.621 119.950 -0.168 0.000 2.134 146 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 146 F C 2.175 178.142 175.800 0.279 0.000 1.097 146 F CA 1.343 59.448 58.000 0.176 0.000 1.264 146 F CB -0.217 38.886 39.000 0.172 0.000 1.001 146 F HN 0.122 nan 8.300 nan 0.000 0.479 147 L N -0.258 121.151 121.223 0.310 0.000 2.017 147 L HA -0.241 4.099 4.340 0.000 0.000 0.208 147 L C 2.507 179.346 176.870 -0.051 0.000 1.073 147 L CA 1.670 56.556 54.840 0.076 0.000 0.745 147 L CB -0.601 41.415 42.059 -0.072 0.000 0.894 147 L HN 0.176 nan 8.230 nan 0.000 0.432 148 E N 0.361 120.486 120.200 -0.126 0.000 2.051 148 E HA -0.305 4.045 4.350 0.000 0.000 0.192 148 E C 2.163 178.743 176.600 -0.033 0.000 0.991 148 E CA 1.439 57.720 56.400 -0.197 0.000 0.799 148 E CB 0.118 29.582 29.700 -0.393 0.000 0.748 148 E HN 0.131 nan 8.360 nan 0.000 0.449 149 K N 0.837 121.206 120.400 -0.050 0.000 2.044 149 K HA -0.156 4.164 4.320 0.000 0.000 0.210 149 K C 1.812 178.469 176.600 0.095 0.000 1.049 149 K CA 1.749 58.068 56.287 0.054 0.000 0.927 149 K CB -0.622 31.781 32.500 -0.161 0.000 0.713 149 K HN 0.192 nan 8.250 nan 0.000 0.443 150 A N 0.011 122.957 122.820 0.211 0.000 1.902 150 A HA -0.115 4.205 4.320 0.000 0.000 0.217 150 A C 2.353 179.980 177.584 0.071 0.000 1.181 150 A CA 1.923 54.081 52.037 0.203 0.000 0.623 150 A CB -0.818 18.185 19.000 0.005 0.000 0.818 150 A HN 0.144 nan 8.150 nan 0.000 0.443 151 V N 0.047 119.968 119.914 0.012 0.000 2.343 151 V HA -0.275 3.845 4.120 0.000 0.000 0.247 151 V C 2.589 178.765 176.094 0.137 0.000 1.051 151 V CA 2.228 64.537 62.300 0.015 0.000 1.036 151 V CB -0.839 30.950 31.823 -0.057 0.000 0.654 151 V HN 0.525 nan 8.190 nan 0.000 0.451 152 R N -0.383 120.224 120.500 0.178 0.000 2.152 152 R HA -0.047 4.293 4.340 0.000 0.000 0.232 152 R C 1.991 178.352 176.300 0.102 0.000 1.117 152 R CA 1.104 57.296 56.100 0.153 0.000 0.981 152 R CB -0.277 30.102 30.300 0.132 0.000 0.870 152 R HN 0.439 nan 8.270 nan 0.000 0.451 153 L N 0.721 122.014 121.223 0.117 0.000 2.591 153 L HA 0.062 4.402 4.340 0.000 0.000 0.228 153 L C 0.029 177.038 176.870 0.231 0.000 1.133 153 L CA -0.293 54.645 54.840 0.163 0.000 0.880 153 L CB 0.073 42.257 42.059 0.208 0.000 1.033 153 L HN 0.039 nan 8.230 nan 0.000 0.450 154 L N 0.933 122.264 121.223 0.179 0.000 2.305 154 L HA 0.197 4.537 4.340 0.000 0.000 0.281 154 L C 0.502 177.447 176.870 0.125 0.000 1.085 154 L CA 0.012 54.958 54.840 0.177 0.000 0.813 154 L CB 0.846 43.013 42.059 0.181 0.000 1.157 154 L HN -0.000 nan 8.230 nan 0.000 0.436 155 K N 4.579 125.040 120.400 0.101 0.000 2.440 155 K HA 0.097 4.417 4.320 0.000 0.000 0.270 155 K C -2.180 174.451 176.600 0.051 0.000 0.980 155 K CA -1.293 55.026 56.287 0.053 0.000 0.953 155 K CB -0.076 32.443 32.500 0.031 0.000 0.925 155 K HN 0.403 nan 8.250 nan 0.000 0.497 156 P HA -0.096 nan 4.420 nan 0.000 0.262 156 P C 0.468 177.775 177.300 0.011 0.000 1.182 156 P CA 1.038 64.151 63.100 0.020 0.000 0.761 156 P CB 0.457 32.162 31.700 0.009 0.000 0.795 157 G N 1.991 110.788 108.800 -0.005 0.000 2.179 157 G HA2 -0.194 3.766 3.960 0.000 0.000 0.260 157 G HA3 -0.194 3.766 3.960 0.000 0.000 0.260 157 G C 0.679 175.573 174.900 -0.010 0.000 0.977 157 G CA -0.093 44.995 45.100 -0.020 0.000 0.641 157 G HN 0.890 nan 8.290 nan 0.000 0.533 158 G N -1.070 107.743 108.800 0.021 0.000 2.606 158 G HA2 0.571 4.531 3.960 0.000 0.000 0.252 158 G HA3 0.571 4.531 3.960 0.000 0.000 0.252 158 G C -0.211 174.710 174.900 0.035 0.000 1.206 158 G CA 0.367 45.494 45.100 0.045 0.000 0.861 158 G HN 1.031 nan 8.290 nan 0.000 0.561 159 V N 1.019 120.954 119.914 0.036 0.000 2.604 159 V HA 0.497 4.617 4.120 0.000 0.000 0.305 159 V C -0.482 175.627 176.094 0.024 0.000 1.043 159 V CA -0.715 61.599 62.300 0.023 0.000 0.888 159 V CB 1.555 33.374 31.823 -0.006 0.000 0.995 159 V HN 0.714 nan 8.190 nan 0.000 0.429 160 L N 6.038 127.288 121.223 0.044 0.000 2.341 160 L HA 0.842 5.182 4.340 0.000 0.000 0.278 160 L C -0.885 175.936 176.870 -0.082 0.000 1.005 160 L CA -0.099 54.688 54.840 -0.089 0.000 0.818 160 L CB 1.991 43.948 42.059 -0.170 0.000 1.259 160 L HN 0.418 nan 8.230 nan 0.000 0.418 161 V N 5.726 125.580 119.914 -0.100 0.000 2.419 161 V HA 0.523 4.643 4.120 0.000 0.000 0.287 161 V C -0.847 175.318 176.094 0.117 0.000 1.017 161 V CA -0.370 61.916 62.300 -0.022 0.000 0.844 161 V CB 1.002 32.800 31.823 -0.042 0.000 1.011 161 V HN 0.538 nan 8.190 nan 0.000 0.429 162 F N 2.821 122.715 119.950 -0.093 0.000 2.561 162 F HA 0.660 5.187 4.527 -0.000 0.000 0.321 162 F C 0.059 175.828 175.800 -0.052 0.000 1.065 162 F CA -1.541 56.383 58.000 -0.127 0.000 0.934 162 F CB 2.222 41.163 39.000 -0.098 0.000 1.215 162 F HN 0.265 nan 8.300 nan 0.000 0.471 163 V N 5.278 125.261 119.914 0.115 0.000 2.394 163 V HA 0.818 4.938 4.120 0.000 0.000 0.282 163 V C -1.048 175.106 176.094 0.101 0.000 1.031 163 V CA -0.307 62.082 62.300 0.148 0.000 0.881 163 V CB 1.178 33.143 31.823 0.236 0.000 0.982 163 V HN 0.622 nan 8.190 nan 0.000 0.451 164 V N 4.154 124.047 119.914 -0.036 0.000 3.181 164 V HA 0.772 4.892 4.120 0.000 0.000 0.308 164 V C -2.930 172.772 176.094 -0.653 0.000 1.214 164 V CA -2.680 59.299 62.300 -0.534 0.000 1.053 164 V CB 1.802 33.300 31.823 -0.541 0.000 1.069 164 V HN 0.661 nan 8.190 nan 0.000 0.441 165 P HA 0.277 nan 4.420 nan 0.000 0.269 165 P C 0.461 177.528 177.300 -0.389 0.000 1.217 165 P CA 0.533 63.208 63.100 -0.709 0.000 0.783 165 P CB 0.709 31.922 31.700 -0.812 0.000 0.898 166 A N 1.425 124.099 122.820 -0.244 0.000 2.235 166 A HA -0.070 4.250 4.320 0.000 0.000 0.208 166 A C 1.823 179.152 177.584 -0.426 0.000 1.172 166 A CA 1.503 53.319 52.037 -0.368 0.000 0.786 166 A CB -1.542 17.326 19.000 -0.220 0.000 0.804 166 A HN 0.630 nan 8.150 nan 0.000 0.479 167 T N -2.293 112.147 114.554 -0.190 0.000 2.867 167 T HA -0.192 4.158 4.350 0.000 0.000 0.268 167 T C 1.774 176.396 174.700 -0.131 0.000 1.057 167 T CA 1.189 63.259 62.100 -0.051 0.000 1.136 167 T CB -0.684 68.258 68.868 0.123 0.000 0.874 167 T HN 0.842 nan 8.240 nan 0.000 0.466 168 W N 1.975 123.023 121.300 -0.421 0.000 2.525 168 W HA 0.105 4.766 4.660 0.002 0.000 0.259 168 W C 1.244 177.716 176.519 -0.078 0.000 1.253 168 W CA -0.112 56.960 57.345 -0.455 0.000 1.262 168 W CB -0.998 28.070 29.460 -0.653 0.000 1.122 168 W HN 0.246 nan 8.180 nan 0.000 0.607 169 L N 1.556 122.198 121.223 -0.969 0.000 2.131 169 L HA -0.191 4.149 4.340 0.000 0.000 0.210 169 L C 2.402 179.137 176.870 -0.225 0.000 1.092 169 L CA 2.001 56.327 54.840 -0.857 0.000 0.759 169 L CB -0.920 40.475 42.059 -1.106 0.000 0.903 169 L HN 0.075 nan 8.230 nan 0.000 0.435 170 V N -4.950 114.935 119.914 -0.049 0.000 3.473 170 V HA 0.233 4.353 4.120 0.000 0.000 0.253 170 V C 0.997 177.180 176.094 0.148 0.000 1.340 170 V CA -0.356 62.007 62.300 0.106 0.000 1.103 170 V CB 0.121 32.049 31.823 0.176 0.000 0.881 170 V HN 0.043 nan 8.190 nan 0.000 0.451 171 L N 1.616 122.974 121.223 0.225 0.000 2.380 171 L HA 0.352 4.692 4.340 0.000 0.000 0.273 171 L C 1.821 178.844 176.870 0.254 0.000 1.138 171 L CA -0.192 54.810 54.840 0.270 0.000 0.832 171 L CB 0.799 43.095 42.059 0.395 0.000 1.124 171 L HN 0.160 nan 8.230 nan 0.000 0.454 172 E N 1.328 121.610 120.200 0.136 0.000 2.130 172 E HA -0.220 4.130 4.350 0.000 0.000 0.196 172 E C 1.264 177.880 176.600 0.027 0.000 0.998 172 E CA 1.279 57.726 56.400 0.078 0.000 0.806 172 E CB 0.060 29.779 29.700 0.032 0.000 0.738 172 E HN 0.620 nan 8.360 nan 0.000 0.459 173 D N -0.774 119.592 120.400 -0.056 0.000 2.265 173 D HA -0.137 4.503 4.640 0.000 0.000 0.208 173 D C 0.773 176.840 176.300 -0.387 0.000 0.977 173 D CA 0.674 54.492 54.000 -0.303 0.000 0.871 173 D CB -0.151 40.322 40.800 -0.545 0.000 0.925 173 D HN 0.184 nan 8.370 nan 0.000 0.485 174 F N -0.796 119.242 119.950 0.146 0.000 2.639 174 F HA 0.413 4.940 4.527 -0.000 0.000 0.302 174 F C 1.892 177.809 175.800 0.195 0.000 1.097 174 F CA -0.388 57.740 58.000 0.213 0.000 1.294 174 F CB -0.119 39.042 39.000 0.268 0.000 1.027 174 F HN -0.146 nan 8.300 nan 0.000 0.550 175 A N 0.595 123.550 122.820 0.224 0.000 1.883 175 A HA -0.157 4.163 4.320 0.000 0.000 0.217 175 A C 2.186 179.846 177.584 0.127 0.000 1.186 175 A CA 1.627 53.761 52.037 0.163 0.000 0.624 175 A CB -0.785 18.267 19.000 0.087 0.000 0.822 175 A HN 0.418 nan 8.150 nan 0.000 0.444 176 L N -1.230 120.038 121.223 0.076 0.000 2.093 176 L HA -0.131 4.209 4.340 0.000 0.000 0.208 176 L C 2.542 179.481 176.870 0.115 0.000 1.085 176 L CA 0.898 55.768 54.840 0.050 0.000 0.755 176 L CB -0.522 41.515 42.059 -0.037 0.000 0.904 176 L HN 0.449 nan 8.230 nan 0.000 0.435 177 L N 0.158 121.482 121.223 0.169 0.000 2.017 177 L HA -0.202 4.138 4.340 0.000 0.000 0.208 177 L C 2.755 179.798 176.870 0.289 0.000 1.073 177 L CA 1.759 56.738 54.840 0.232 0.000 0.745 177 L CB -0.484 41.767 42.059 0.319 0.000 0.894 177 L HN 0.091 nan 8.230 nan 0.000 0.432 178 R N -0.480 120.224 120.500 0.341 0.000 2.081 178 R HA -0.158 4.182 4.340 0.000 0.000 0.235 178 R C 2.142 178.410 176.300 -0.053 0.000 1.131 178 R CA 1.779 58.096 56.100 0.361 0.000 0.960 178 R CB -0.397 30.182 30.300 0.465 0.000 0.856 178 R HN 0.540 nan 8.270 nan 0.000 0.436 179 E N -0.074 120.107 120.200 -0.031 0.000 2.106 179 E HA -0.192 4.159 4.350 0.000 0.000 0.192 179 E C 1.667 178.244 176.600 -0.038 0.000 0.984 179 E CA 1.020 57.346 56.400 -0.124 0.000 0.806 179 E CB -0.157 29.518 29.700 -0.043 0.000 0.750 179 E HN 0.231 nan 8.360 nan 0.000 0.458 180 F N 1.479 121.390 119.950 -0.066 0.000 2.075 180 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 180 F C 1.884 177.671 175.800 -0.023 0.000 1.113 180 F CA 1.333 59.310 58.000 -0.038 0.000 1.218 180 F CB -0.156 38.828 39.000 -0.027 0.000 0.984 180 F HN -0.098 nan 8.300 nan 0.000 0.472 181 L N 0.098 121.345 121.223 0.040 0.000 2.046 181 L HA -0.215 4.125 4.340 0.000 0.000 0.208 181 L C 2.830 179.808 176.870 0.179 0.000 1.077 181 L CA 1.205 56.078 54.840 0.054 0.000 0.747 181 L CB -1.274 40.961 42.059 0.293 0.000 0.896 181 L HN 0.288 nan 8.230 nan 0.000 0.432 182 A N 0.966 123.738 122.820 -0.080 0.000 1.940 182 A HA -0.232 4.088 4.320 0.000 0.000 0.219 182 A C 2.369 179.931 177.584 -0.036 0.000 1.176 182 A CA 1.989 53.931 52.037 -0.157 0.000 0.631 182 A CB -0.550 18.015 19.000 -0.724 0.000 0.814 182 A HN 0.568 nan 8.150 nan 0.000 0.446 183 R N -1.256 119.187 120.500 -0.096 0.000 2.246 183 R HA 0.097 4.437 4.340 0.000 0.000 0.199 183 R C 1.025 177.281 176.300 -0.073 0.000 0.984 183 R CA 1.036 57.092 56.100 -0.073 0.000 1.015 183 R CB -0.092 30.159 30.300 -0.081 0.000 0.930 183 R HN 0.331 nan 8.270 nan 0.000 0.475 184 E N 0.768 120.902 120.200 -0.110 0.000 2.318 184 E HA 0.159 4.509 4.350 0.000 0.000 0.193 184 E C 0.728 177.433 176.600 0.175 0.000 0.998 184 E CA 0.970 57.336 56.400 -0.056 0.000 0.859 184 E CB 1.075 30.552 29.700 -0.371 0.000 0.812 184 E HN 0.556 nan 8.360 nan 0.000 0.492 185 G N 0.878 109.785 108.800 0.179 0.000 2.393 185 G HA2 0.209 4.169 3.960 0.000 0.000 0.264 185 G HA3 0.209 4.169 3.960 0.000 0.000 0.264 185 G C -1.483 173.358 174.900 -0.098 0.000 1.221 185 G CA -0.689 44.331 45.100 -0.133 0.000 0.912 185 G HN 0.036 nan 8.290 nan 0.000 0.483 186 K N -0.410 119.802 120.400 -0.312 0.000 2.207 186 K HA 0.780 5.100 4.320 0.000 0.000 0.255 186 K C -1.279 175.286 176.600 -0.058 0.000 0.941 186 K CA -0.610 55.628 56.287 -0.082 0.000 0.825 186 K CB 2.142 34.606 32.500 -0.060 0.000 1.119 186 K HN 0.348 nan 8.250 nan 0.000 0.430 187 T N 1.215 115.859 114.554 0.150 0.000 2.824 187 T HA 0.317 4.667 4.350 0.000 0.000 0.282 187 T C -0.881 173.893 174.700 0.123 0.000 0.993 187 T CA -0.760 61.472 62.100 0.220 0.000 0.967 187 T CB 1.599 70.676 68.868 0.348 0.000 0.960 187 T HN 0.549 nan 8.240 nan 0.000 0.441 188 S N 1.877 117.667 115.700 0.149 0.000 2.473 188 S HA 0.648 5.118 4.470 0.000 0.000 0.307 188 S C -0.439 174.191 174.600 0.049 0.000 1.094 188 S CA -0.674 57.583 58.200 0.096 0.000 1.070 188 S CB 1.265 64.522 63.200 0.093 0.000 1.019 188 S HN 0.504 nan 8.310 nan 0.000 0.480 189 V N 4.166 124.053 119.914 -0.045 0.000 2.417 189 V HA 0.453 4.573 4.120 0.000 0.000 0.291 189 V C -1.480 174.580 176.094 -0.056 0.000 1.024 189 V CA -0.630 61.679 62.300 0.016 0.000 0.861 189 V CB 0.863 32.640 31.823 -0.078 0.000 0.985 189 V HN 0.862 nan 8.190 nan 0.000 0.436 190 Y N 3.875 124.324 120.300 0.249 0.000 2.345 190 Y HA 0.435 4.986 4.550 0.002 0.000 0.331 190 Y C -0.299 175.747 175.900 0.243 0.000 0.959 190 Y CA -0.760 57.529 58.100 0.314 0.000 1.204 190 Y CB 1.253 39.906 38.460 0.322 0.000 1.135 190 Y HN 0.682 nan 8.280 nan 0.000 0.477 191 Y N 4.150 124.630 120.300 0.299 0.000 2.402 191 Y HA 0.252 4.804 4.550 0.003 0.000 0.333 191 Y C -0.020 175.909 175.900 0.047 0.000 1.076 191 Y CA -0.014 58.197 58.100 0.184 0.000 1.299 191 Y CB 0.648 39.284 38.460 0.293 0.000 1.197 191 Y HN 0.725 nan 8.280 nan 0.000 0.517 192 L N 5.010 125.825 121.223 -0.681 0.000 2.445 192 L HA 0.376 4.716 4.340 0.000 0.000 0.207 192 L C 1.382 177.745 176.870 -0.845 0.000 1.053 192 L CA 0.430 54.860 54.840 -0.683 0.000 0.841 192 L CB -0.483 41.213 42.059 -0.605 0.000 1.074 192 L HN 1.020 nan 8.230 nan 0.000 0.479 193 G N 0.971 109.105 108.800 -1.111 0.000 2.542 193 G HA2 -0.251 3.709 3.960 0.000 0.000 0.235 193 G HA3 -0.251 3.709 3.960 0.000 0.000 0.235 193 G C -0.303 174.465 174.900 -0.220 0.000 1.286 193 G CA -0.439 44.294 45.100 -0.611 0.000 0.904 193 G HN 0.277 nan 8.290 nan 0.000 0.577 194 E N 1.135 121.292 120.200 -0.072 0.000 1.802 194 E HA 0.300 4.650 4.350 0.000 0.000 0.265 194 E C 1.452 178.039 176.600 -0.022 0.000 1.168 194 E CA 0.362 56.764 56.400 0.003 0.000 1.033 194 E CB 0.415 30.138 29.700 0.038 0.000 1.095 194 E HN 0.927 nan 8.360 nan 0.000 0.436 195 V N -0.949 118.908 119.914 -0.096 0.000 3.578 195 V HA 0.231 4.351 4.120 0.000 0.000 0.290 195 V C 0.182 176.113 176.094 -0.271 0.000 1.376 195 V CA -0.107 62.075 62.300 -0.197 0.000 1.083 195 V CB -0.424 31.213 31.823 -0.311 0.000 0.911 195 V HN 0.204 nan 8.190 nan 0.000 0.433 196 F N 2.553 122.512 119.950 0.016 0.000 2.334 196 F HA 0.659 5.186 4.527 -0.000 0.000 0.367 196 F C -2.296 173.506 175.800 0.003 0.000 1.115 196 F CA -2.888 55.117 58.000 0.009 0.000 1.116 196 F CB 0.822 39.823 39.000 0.001 0.000 1.230 196 F HN -0.023 nan 8.300 nan 0.000 0.484 197 P HA -0.039 nan 4.420 nan 0.000 0.262 197 P C -0.188 177.159 177.300 0.079 0.000 1.182 197 P CA 0.448 63.595 63.100 0.079 0.000 0.761 197 P CB 0.415 32.145 31.700 0.050 0.000 0.795 198 Q N -0.897 118.936 119.800 0.056 0.000 2.480 198 Q HA -0.234 4.106 4.340 0.000 0.000 0.265 198 Q C -0.555 175.471 176.000 0.045 0.000 1.072 198 Q CA 1.476 57.304 55.803 0.041 0.000 1.018 198 Q CB -1.715 27.038 28.738 0.025 0.000 1.433 198 Q HN 0.638 nan 8.270 nan 0.000 0.513 199 K N -0.198 120.247 120.400 0.075 0.000 2.324 199 K HA 0.372 4.692 4.320 0.000 0.000 0.253 199 K C 0.717 177.368 176.600 0.085 0.000 0.932 199 K CA -0.654 55.674 56.287 0.068 0.000 0.799 199 K CB 1.361 33.901 32.500 0.067 0.000 1.154 199 K HN -0.136 nan 8.250 nan 0.000 0.425 200 K N 0.620 121.058 120.400 0.062 0.000 2.418 200 K HA 0.024 4.344 4.320 0.000 0.000 0.195 200 K C 0.696 177.344 176.600 0.079 0.000 1.035 200 K CA 0.064 56.387 56.287 0.059 0.000 1.003 200 K CB 0.397 32.918 32.500 0.035 0.000 0.793 200 K HN 0.301 nan 8.250 nan 0.000 0.494 201 V N 2.010 121.986 119.914 0.103 0.000 2.617 201 V HA -0.068 4.052 4.120 0.000 0.000 0.304 201 V C -0.130 176.038 176.094 0.124 0.000 1.040 201 V CA 0.326 62.692 62.300 0.110 0.000 1.149 201 V CB 1.068 32.971 31.823 0.134 0.000 0.914 201 V HN 0.140 nan 8.190 nan 0.000 0.487 202 S N 6.017 121.769 115.700 0.087 0.000 2.452 202 S HA 0.747 5.217 4.470 0.000 0.000 0.284 202 S C -0.093 174.514 174.600 0.011 0.000 1.171 202 S CA -0.100 58.144 58.200 0.074 0.000 1.064 202 S CB 0.738 64.042 63.200 0.172 0.000 0.967 202 S HN 1.384 nan 8.310 nan 0.000 0.484 203 A N 3.982 126.768 122.820 -0.058 0.000 2.320 203 A HA 0.846 5.166 4.320 0.000 0.000 0.334 203 A C -0.131 177.359 177.584 -0.157 0.000 1.147 203 A CA -0.654 51.344 52.037 -0.065 0.000 0.820 203 A CB 1.187 20.244 19.000 0.095 0.000 1.218 203 A HN 1.454 nan 8.150 nan 0.000 0.482 204 V N -0.808 119.067 119.914 -0.065 0.000 3.001 204 V HA 0.834 4.955 4.120 0.000 0.000 0.314 204 V C -0.481 175.678 176.094 0.109 0.000 1.099 204 V CA -0.811 61.499 62.300 0.018 0.000 0.989 204 V CB 1.397 33.250 31.823 0.049 0.000 1.040 204 V HN 0.662 nan 8.190 nan 0.000 0.434 205 V N 3.718 123.752 119.914 0.200 0.000 2.439 205 V HA 0.490 4.610 4.120 0.000 0.000 0.282 205 V C 0.011 176.313 176.094 0.346 0.000 1.039 205 V CA -0.330 62.109 62.300 0.233 0.000 0.913 205 V CB 1.465 33.386 31.823 0.162 0.000 0.983 205 V HN 0.886 nan 8.190 nan 0.000 0.460 206 I N 5.605 126.344 120.570 0.281 0.000 2.354 206 I HA 0.540 4.710 4.170 0.000 0.000 0.292 206 I C 0.052 176.296 176.117 0.211 0.000 0.989 206 I CA -0.555 60.918 61.300 0.288 0.000 1.188 206 I CB 0.669 38.800 38.000 0.219 0.000 1.342 206 I HN 0.643 nan 8.210 nan 0.000 0.457 207 R N 7.884 128.543 120.500 0.265 0.000 2.288 207 R HA 0.337 4.677 4.340 0.000 0.000 0.326 207 R C -2.010 174.413 176.300 0.205 0.000 0.959 207 R CA -0.539 55.668 56.100 0.179 0.000 0.834 207 R CB 1.032 31.433 30.300 0.169 0.000 1.157 207 R HN 0.643 nan 8.270 nan 0.000 0.470 208 F N 3.351 123.306 119.950 0.009 0.000 2.482 208 F HA 0.338 4.865 4.527 -0.000 0.000 0.331 208 F C -0.822 174.977 175.800 -0.001 0.000 1.115 208 F CA -0.555 57.453 58.000 0.014 0.000 0.955 208 F CB 1.822 40.809 39.000 -0.021 0.000 1.136 208 F HN 0.487 nan 8.300 nan 0.000 0.452 209 Q N 5.336 124.682 119.800 -0.757 0.000 2.337 209 Q HA 0.272 4.612 4.340 0.000 0.000 0.266 209 Q C -0.825 174.648 176.000 -0.879 0.000 1.023 209 Q CA -0.900 54.568 55.803 -0.558 0.000 0.829 209 Q CB 1.777 30.358 28.738 -0.262 0.000 1.306 209 Q HN 0.773 nan 8.270 nan 0.000 0.449 210 K N 2.355 122.515 120.400 -0.401 0.000 3.216 210 K HA 0.141 4.462 4.320 0.000 0.000 0.277 210 K C -1.373 175.153 176.600 -0.123 0.000 1.246 210 K CA 0.117 56.305 56.287 -0.165 0.000 1.227 210 K CB -0.273 32.299 32.500 0.119 0.000 1.487 210 K HN 0.626 nan 8.250 nan 0.000 0.341 211 S N -1.515 114.068 115.700 -0.196 0.000 2.578 211 S HA 0.682 5.152 4.470 0.000 0.000 0.272 211 S C 0.064 174.598 174.600 -0.111 0.000 1.145 211 S CA -0.631 57.505 58.200 -0.107 0.000 0.835 211 S CB 1.178 64.335 63.200 -0.072 0.000 1.104 211 S HN 0.498 nan 8.310 nan 0.000 0.458 212 G N 1.371 110.137 108.800 -0.057 0.000 2.601 212 G HA2 0.062 4.022 3.960 0.000 0.000 0.252 212 G HA3 0.062 4.022 3.960 0.000 0.000 0.252 212 G C -0.587 174.299 174.900 -0.023 0.000 1.294 212 G CA 0.555 45.633 45.100 -0.036 0.000 0.912 212 G HN 1.858 nan 8.290 nan 0.000 0.574 213 K N -1.544 118.857 120.400 0.001 0.000 2.571 213 K HA 0.764 5.085 4.320 0.000 0.000 0.289 213 K C 0.170 176.816 176.600 0.076 0.000 1.028 213 K CA -0.005 56.312 56.287 0.050 0.000 0.895 213 K CB 1.420 33.953 32.500 0.054 0.000 1.534 213 K HN 2.787 nan 8.250 nan 0.000 0.421 214 G N -0.308 108.596 108.800 0.173 0.000 2.661 214 G HA2 0.167 4.127 3.960 0.000 0.000 0.685 214 G HA3 0.167 4.127 3.960 0.000 0.000 0.685 214 G C -2.045 173.003 174.900 0.248 0.000 1.298 214 G CA -0.418 44.801 45.100 0.200 0.000 0.855 214 G HN 0.870 nan 8.290 nan 0.000 0.560 215 L N 0.046 121.367 121.223 0.163 0.000 2.410 215 L HA 0.872 5.212 4.340 0.000 0.000 0.270 215 L C -0.042 176.817 176.870 -0.019 0.000 0.983 215 L CA -0.404 54.407 54.840 -0.049 0.000 0.822 215 L CB 2.326 44.065 42.059 -0.533 0.000 1.285 215 L HN 0.932 nan 8.230 nan 0.000 0.409 216 S N 5.132 120.813 115.700 -0.031 0.000 2.473 216 S HA 0.704 5.174 4.470 0.000 0.000 0.307 216 S C -1.072 173.458 174.600 -0.118 0.000 1.094 216 S CA -0.454 57.697 58.200 -0.082 0.000 1.070 216 S CB 1.564 64.778 63.200 0.023 0.000 1.019 216 S HN 0.608 nan 8.310 nan 0.000 0.480 217 L N 3.638 124.733 121.223 -0.213 0.000 2.296 217 L HA 0.710 5.050 4.340 0.000 0.000 0.286 217 L C -1.913 174.864 176.870 -0.155 0.000 1.023 217 L CA -0.308 54.420 54.840 -0.187 0.000 0.812 217 L CB 0.334 42.236 42.059 -0.262 0.000 1.223 217 L HN 0.717 nan 8.230 nan 0.000 0.421 218 W N 3.731 125.002 121.300 -0.049 0.000 2.702 218 W HA 0.462 5.125 4.660 0.005 0.000 0.331 218 W C -0.035 176.700 176.519 0.361 0.000 1.049 218 W CA -0.486 56.947 57.345 0.146 0.000 1.230 218 W CB 1.239 30.679 29.460 -0.033 0.000 1.408 218 W HN 0.441 nan 8.180 nan 0.000 0.492 219 D N 0.499 121.289 120.400 0.649 0.000 2.432 219 D HA 0.563 5.203 4.640 0.000 0.000 0.258 219 D C -0.190 176.376 176.300 0.442 0.000 1.146 219 D CA 0.096 54.378 54.000 0.469 0.000 1.015 219 D CB 1.396 42.399 40.800 0.338 0.000 1.107 219 D HN 0.335 nan 8.370 nan 0.000 0.529 220 T N -2.222 112.514 114.554 0.303 0.000 2.896 220 T HA 0.659 5.009 4.350 0.000 0.000 0.297 220 T C -0.996 173.816 174.700 0.186 0.000 1.108 220 T CA -0.982 61.241 62.100 0.205 0.000 1.004 220 T CB 1.544 70.428 68.868 0.026 0.000 1.159 220 T HN 0.425 nan 8.240 nan 0.000 0.499 221 Q N 0.481 120.370 119.800 0.149 0.000 2.356 221 Q HA 0.551 4.891 4.340 0.000 0.000 0.270 221 Q C -1.013 174.996 176.000 0.016 0.000 1.058 221 Q CA -1.038 54.821 55.803 0.094 0.000 0.802 221 Q CB 2.086 30.862 28.738 0.064 0.000 1.303 221 Q HN 0.676 nan 8.270 nan 0.000 0.444 222 E N 1.428 121.574 120.200 -0.091 0.000 2.452 222 E HA 0.149 4.499 4.350 0.000 0.000 0.261 222 E C -0.466 175.985 176.600 -0.248 0.000 0.987 222 E CA 0.584 56.761 56.400 -0.372 0.000 0.926 222 E CB 0.590 30.090 29.700 -0.334 0.000 0.934 222 E HN 0.716 nan 8.360 nan 0.000 0.452 223 S N 0.852 116.368 115.700 -0.305 0.000 2.656 223 S HA 0.144 4.614 4.470 0.000 0.000 0.273 223 S C 0.730 175.228 174.600 -0.171 0.000 1.168 223 S CA -0.987 57.111 58.200 -0.170 0.000 0.817 223 S CB 1.629 64.773 63.200 -0.094 0.000 1.146 223 S HN 0.645 nan 8.310 nan 0.000 0.475 224 E N 1.057 121.195 120.200 -0.104 0.000 2.058 224 E HA -0.171 4.179 4.350 0.000 0.000 0.194 224 E C 1.682 178.232 176.600 -0.083 0.000 0.997 224 E CA 1.975 58.322 56.400 -0.088 0.000 0.801 224 E CB -0.348 29.319 29.700 -0.056 0.000 0.746 224 E HN 0.776 nan 8.360 nan 0.000 0.450 225 S N -1.313 114.353 115.700 -0.056 0.000 2.603 225 S HA 0.157 4.628 4.470 0.000 0.000 0.229 225 S C 1.213 175.804 174.600 -0.015 0.000 0.972 225 S CA 0.711 58.897 58.200 -0.024 0.000 0.935 225 S CB 0.574 63.781 63.200 0.011 0.000 0.769 225 S HN 0.537 nan 8.310 nan 0.000 0.536 226 G N 0.647 109.382 108.800 -0.108 0.000 2.083 226 G HA2 0.033 3.993 3.960 0.000 0.000 0.199 226 G HA3 0.033 3.993 3.960 0.000 0.000 0.199 226 G C -0.524 174.062 174.900 -0.524 0.000 2.367 226 G CA -0.472 44.520 45.100 -0.180 0.000 1.555 226 G HN 0.424 nan 8.290 nan 0.000 0.490 227 F N 1.212 121.036 119.950 -0.209 0.000 2.601 227 F HA 0.676 5.203 4.527 -0.000 0.000 0.309 227 F C -0.262 175.330 175.800 -0.348 0.000 1.089 227 F CA -0.586 57.161 58.000 -0.422 0.000 0.940 227 F CB 2.716 41.157 39.000 -0.931 0.000 1.273 227 F HN 0.149 nan 8.300 nan 0.000 0.450 228 T N 4.284 118.816 114.554 -0.035 0.000 2.770 228 T HA 0.394 4.744 4.350 0.000 0.000 0.283 228 T C -2.741 172.029 174.700 0.116 0.000 0.988 228 T CA -1.498 60.635 62.100 0.056 0.000 0.957 228 T CB 1.395 70.307 68.868 0.074 0.000 0.930 228 T HN 0.136 nan 8.240 nan 0.000 0.443 229 P HA 0.437 nan 4.420 nan 0.000 0.275 229 P C -0.866 176.767 177.300 0.555 0.000 1.228 229 P CA -0.454 62.904 63.100 0.430 0.000 0.786 229 P CB 0.897 32.838 31.700 0.403 0.000 0.927 230 I N 2.741 123.708 120.570 0.662 0.000 2.468 230 I HA 0.175 4.345 4.170 0.000 0.000 0.284 230 I C 0.083 176.480 176.117 0.466 0.000 1.038 230 I CA -1.233 60.365 61.300 0.496 0.000 1.083 230 I CB 1.835 40.038 38.000 0.339 0.000 1.223 230 I HN 0.167 nan 8.210 nan 0.000 0.443 231 L N 7.000 128.298 121.223 0.124 0.000 2.462 231 L HA 0.013 4.353 4.340 0.000 0.000 0.272 231 L C 0.410 177.200 176.870 -0.133 0.000 1.166 231 L CA 0.871 55.410 54.840 -0.501 0.000 0.880 231 L CB 0.351 41.903 42.059 -0.845 0.000 1.142 231 L HN 0.721 nan 8.230 nan 0.000 0.473 232 W N 5.794 126.932 121.300 -0.270 0.000 2.678 232 W HA 0.466 5.127 4.660 0.001 0.000 0.282 232 W C -0.212 176.204 176.519 -0.173 0.000 1.137 232 W CA 0.736 58.031 57.345 -0.083 0.000 1.515 232 W CB 0.466 30.014 29.460 0.147 0.000 1.101 232 W HN 0.657 nan 8.180 nan 0.000 0.564 233 A N 0.940 123.742 122.820 -0.029 0.000 2.605 233 A HA 0.469 4.789 4.320 0.000 0.000 0.294 233 A C -1.455 175.923 177.584 -0.343 0.000 1.062 233 A CA -0.614 51.295 52.037 -0.213 0.000 0.682 233 A CB 1.319 20.258 19.000 -0.102 0.000 1.278 233 A HN 0.088 nan 8.150 nan 0.000 0.410 234 E N 0.445 120.350 120.200 -0.492 0.000 2.199 234 E HA 0.492 4.842 4.350 0.000 0.000 0.269 234 E C -1.853 174.400 176.600 -0.579 0.000 0.899 234 E CA -0.215 55.950 56.400 -0.391 0.000 0.772 234 E CB 1.991 31.531 29.700 -0.267 0.000 1.155 234 E HN 0.547 nan 8.360 nan 0.000 0.408 235 Y N 1.391 121.645 120.300 -0.078 0.000 2.787 235 Y HA 0.233 4.782 4.550 -0.002 0.000 0.352 235 Y C -1.838 174.075 175.900 0.022 0.000 1.027 235 Y CA -1.978 56.122 58.100 -0.001 0.000 1.219 235 Y CB 1.203 39.668 38.460 0.009 0.000 1.110 235 Y HN 0.399 nan 8.280 nan 0.000 0.614 236 P HA -0.138 nan 4.420 nan 0.000 0.222 236 P C 0.575 177.690 177.300 -0.307 0.000 1.147 236 P CA 1.703 64.685 63.100 -0.197 0.000 0.790 236 P CB 0.303 31.774 31.700 -0.383 0.000 0.780 237 H N -4.139 115.051 119.070 0.199 0.000 2.512 237 H HA 0.106 4.662 4.556 -0.001 0.000 0.276 237 H C -0.040 175.429 175.328 0.236 0.000 1.126 237 H CA -1.036 55.118 56.048 0.177 0.000 1.060 237 H CB -0.552 29.283 29.762 0.123 0.000 1.646 237 H HN 0.155 nan 8.280 nan 0.000 0.571 238 W N 3.143 124.540 121.300 0.162 0.000 2.493 238 W HA -0.095 4.565 4.660 -0.002 0.000 0.337 238 W C 0.505 177.089 176.519 0.108 0.000 1.234 238 W CA 0.672 58.090 57.345 0.122 0.000 1.286 238 W CB 0.437 29.959 29.460 0.104 0.000 1.188 238 W HN 0.205 nan 8.180 nan 0.000 0.564 239 E N 3.421 123.423 120.200 -0.331 0.000 2.603 239 E HA 0.256 4.606 4.350 0.000 0.000 0.211 239 E C 1.195 177.387 176.600 -0.680 0.000 0.995 239 E CA 0.401 56.563 56.400 -0.396 0.000 0.990 239 E CB 0.458 30.072 29.700 -0.145 0.000 1.036 239 E HN 0.800 nan 8.360 nan 0.000 0.475 240 G N 1.824 109.763 108.800 -1.435 0.000 2.154 240 G HA2 -0.216 3.744 3.960 0.000 0.000 0.186 240 G HA3 -0.216 3.744 3.960 0.000 0.000 0.186 240 G C -0.071 174.725 174.900 -0.174 0.000 1.000 240 G CA -0.473 44.053 45.100 -0.958 0.000 0.664 240 G HN 0.194 nan 8.290 nan 0.000 0.513 241 E N -0.057 120.124 120.200 -0.032 0.000 2.422 241 E HA 0.443 4.793 4.350 0.000 0.000 0.260 241 E C 1.237 178.033 176.600 0.326 0.000 1.108 241 E CA -0.205 56.302 56.400 0.179 0.000 0.943 241 E CB 0.730 30.530 29.700 0.167 0.000 0.961 241 E HN 0.426 nan 8.360 nan 0.000 0.443 242 I N 1.920 122.603 120.570 0.189 0.000 2.880 242 I HA -0.129 4.041 4.170 0.000 0.000 0.296 242 I C 0.141 176.288 176.117 0.050 0.000 1.220 242 I CA 0.775 62.163 61.300 0.146 0.000 1.435 242 I CB 0.126 38.210 38.000 0.141 0.000 1.339 242 I HN 0.279 nan 8.210 nan 0.000 0.583 243 I N 7.328 127.854 120.570 -0.072 0.000 2.336 243 I HA 0.418 4.589 4.170 0.000 0.000 0.292 243 I C 0.057 176.066 176.117 -0.180 0.000 0.991 243 I CA -0.420 60.702 61.300 -0.297 0.000 1.227 243 I CB 0.662 38.343 38.000 -0.532 0.000 1.366 243 I HN 0.567 nan 8.210 nan 0.000 0.466 244 R N 4.672 125.030 120.500 -0.236 0.000 2.808 244 R HA 0.489 4.829 4.340 0.000 0.000 0.272 244 R C -1.420 174.685 176.300 -0.325 0.000 0.995 244 R CA -0.878 55.131 56.100 -0.152 0.000 0.917 244 R CB 1.792 31.990 30.300 -0.171 0.000 1.217 244 R HN 0.286 nan 8.270 nan 0.000 0.471 245 F N 2.071 121.880 119.950 -0.235 0.000 2.515 245 F HA 0.178 4.704 4.527 -0.003 0.000 0.353 245 F C 0.590 176.390 175.800 -0.001 0.000 1.213 245 F CA -0.067 57.727 58.000 -0.343 0.000 1.194 245 F CB 0.320 38.835 39.000 -0.808 0.000 1.488 245 F HN 0.208 nan 8.300 nan 0.000 0.619 246 E N 1.251 121.657 120.200 0.345 0.000 2.349 246 E HA 0.373 4.723 4.350 0.000 0.000 0.265 246 E C 0.292 177.128 176.600 0.394 0.000 1.064 246 E CA -0.315 56.248 56.400 0.271 0.000 0.886 246 E CB 1.173 31.005 29.700 0.220 0.000 1.036 246 E HN 0.493 nan 8.360 nan 0.000 0.413 247 T N -2.235 112.441 114.554 0.203 0.000 2.888 247 T HA 0.161 4.511 4.350 0.000 0.000 0.288 247 T C 0.983 175.713 174.700 0.049 0.000 1.063 247 T CA -0.869 61.294 62.100 0.105 0.000 1.010 247 T CB 1.611 70.546 68.868 0.112 0.000 1.214 247 T HN 0.606 nan 8.240 nan 0.000 0.533 248 E N 0.235 120.434 120.200 -0.001 0.000 2.097 248 E HA -0.275 4.075 4.350 0.000 0.000 0.196 248 E C 1.763 178.387 176.600 0.041 0.000 1.000 248 E CA 1.865 58.268 56.400 0.005 0.000 0.804 248 E CB -0.073 29.615 29.700 -0.020 0.000 0.740 248 E HN 0.794 nan 8.360 nan 0.000 0.454 249 E N -0.617 119.615 120.200 0.053 0.000 2.072 249 E HA -0.171 4.179 4.350 0.000 0.000 0.191 249 E C 2.140 178.821 176.600 0.135 0.000 0.985 249 E CA 1.833 58.282 56.400 0.082 0.000 0.801 249 E CB -0.056 29.692 29.700 0.079 0.000 0.750 249 E HN 0.485 nan 8.360 nan 0.000 0.452 250 T N -0.919 113.725 114.554 0.150 0.000 2.777 250 T HA -0.172 4.178 4.350 0.000 0.000 0.266 250 T C 1.996 176.826 174.700 0.216 0.000 1.040 250 T CA 1.214 63.452 62.100 0.230 0.000 1.141 250 T CB -0.291 68.592 68.868 0.025 0.000 0.868 250 T HN -0.001 nan 8.240 nan 0.000 0.444 251 R N 1.512 122.091 120.500 0.131 0.000 2.073 251 R HA 0.056 4.396 4.340 0.000 0.000 0.234 251 R C 2.504 178.862 176.300 0.097 0.000 1.134 251 R CA 1.635 57.801 56.100 0.110 0.000 0.952 251 R CB -0.457 29.891 30.300 0.080 0.000 0.850 251 R HN 0.480 nan 8.270 nan 0.000 0.433 252 K N -0.279 120.169 120.400 0.080 0.000 2.032 252 K HA -0.172 4.148 4.320 0.000 0.000 0.209 252 K C 1.964 178.603 176.600 0.066 0.000 1.048 252 K CA 1.578 57.901 56.287 0.061 0.000 0.927 252 K CB -0.363 32.165 32.500 0.047 0.000 0.712 252 K HN 0.103 nan 8.250 nan 0.000 0.441 253 L N 1.996 123.272 121.223 0.088 0.000 2.046 253 L HA -0.184 4.156 4.340 0.000 0.000 0.208 253 L C 1.851 178.756 176.870 0.058 0.000 1.077 253 L CA 1.789 56.666 54.840 0.063 0.000 0.747 253 L CB -0.263 41.812 42.059 0.027 0.000 0.896 253 L HN 0.159 nan 8.230 nan 0.000 0.432 254 E N -0.543 119.720 120.200 0.105 0.000 2.077 254 E HA -0.233 4.117 4.350 0.000 0.000 0.193 254 E C 2.266 178.913 176.600 0.077 0.000 0.989 254 E CA 1.668 58.134 56.400 0.110 0.000 0.800 254 E CB -0.224 29.569 29.700 0.155 0.000 0.746 254 E HN 0.550 nan 8.360 nan 0.000 0.452 255 I N 0.836 121.447 120.570 0.067 0.000 2.315 255 I HA -0.229 3.941 4.170 0.000 0.000 0.248 255 I C 2.355 178.490 176.117 0.030 0.000 1.117 255 I CA 0.671 61.999 61.300 0.047 0.000 1.404 255 I CB -0.088 37.938 38.000 0.042 0.000 1.071 255 I HN -0.016 nan 8.210 nan 0.000 0.419 256 S N 0.347 116.062 115.700 0.026 0.000 2.370 256 S HA -0.064 4.407 4.470 0.000 0.000 0.226 256 S C 1.233 175.830 174.600 -0.005 0.000 1.033 256 S CA 1.248 59.451 58.200 0.004 0.000 1.011 256 S CB -0.476 62.721 63.200 -0.006 0.000 0.852 256 S HN 0.610 nan 8.310 nan 0.000 0.457 257 G N 0.740 109.547 108.800 0.012 0.000 2.849 257 G HA2 0.700 4.660 3.960 0.000 0.000 0.174 257 G HA3 0.700 4.660 3.960 0.000 0.000 0.174 257 G C -0.459 174.459 174.900 0.030 0.000 1.370 257 G CA -0.636 44.471 45.100 0.013 0.000 1.040 257 G HN 0.409 nan 8.290 nan 0.000 0.582 258 M N -1.640 117.988 119.600 0.046 0.000 2.631 258 M HA 0.609 5.089 4.480 0.000 0.000 0.288 258 M C -3.101 173.243 176.300 0.074 0.000 1.260 258 M CA -1.997 53.332 55.300 0.048 0.000 0.842 258 M CB 2.504 35.122 32.600 0.031 0.000 1.743 258 M HN 0.071 nan 8.290 nan 0.000 0.461 259 P HA 0.114 nan 4.420 nan 0.000 0.271 259 P C 0.382 177.738 177.300 0.094 0.000 1.220 259 P CA -0.435 62.714 63.100 0.081 0.000 0.768 259 P CB 0.656 32.394 31.700 0.064 0.000 0.848 260 L N 4.594 125.886 121.223 0.115 0.000 2.081 260 L HA -0.118 4.222 4.340 0.000 0.000 0.212 260 L C 2.210 179.184 176.870 0.174 0.000 1.080 260 L CA 2.508 57.445 54.840 0.161 0.000 0.754 260 L CB -1.557 40.564 42.059 0.104 0.000 0.893 260 L HN 0.536 nan 8.230 nan 0.000 0.433 261 G N -1.519 107.336 108.800 0.092 0.000 2.479 261 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 261 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 261 G C 1.140 176.062 174.900 0.037 0.000 1.115 261 G CA 0.837 45.976 45.100 0.065 0.000 0.757 261 G HN 0.434 nan 8.290 nan 0.000 0.560 262 D N -0.199 120.219 120.400 0.030 0.000 2.363 262 D HA 0.075 4.715 4.640 0.000 0.000 0.220 262 D C 2.256 178.513 176.300 -0.072 0.000 0.994 262 D CA 0.302 54.291 54.000 -0.018 0.000 0.890 262 D CB 0.272 41.068 40.800 -0.007 0.000 0.906 262 D HN 0.351 nan 8.370 nan 0.000 0.530 263 L N -1.620 119.568 121.223 -0.059 0.000 2.642 263 L HA 0.222 4.563 4.340 0.000 0.000 0.233 263 L C -0.130 176.413 176.870 -0.545 0.000 1.077 263 L CA 0.178 54.864 54.840 -0.257 0.000 0.879 263 L CB 0.527 42.466 42.059 -0.200 0.000 1.151 263 L HN -0.170 nan 8.230 nan 0.000 0.495 264 F N -1.069 118.813 119.950 -0.112 0.000 2.529 264 F HA 0.404 4.930 4.527 -0.002 0.000 0.320 264 F C 0.258 175.961 175.800 -0.162 0.000 1.118 264 F CA -1.012 56.916 58.000 -0.119 0.000 0.915 264 F CB 1.083 40.060 39.000 -0.039 0.000 1.161 264 F HN -0.112 nan 8.300 nan 0.000 0.445 265 H N 4.293 123.442 119.070 0.133 0.000 2.929 265 H HA 0.274 4.831 4.556 0.001 0.000 0.317 265 H C -0.155 175.206 175.328 0.055 0.000 1.031 265 H CA 0.469 56.557 56.048 0.067 0.000 1.466 265 H CB 0.741 30.519 29.762 0.026 0.000 1.482 265 H HN 0.456 nan 8.280 nan 0.000 0.561 266 I N 5.003 125.656 120.570 0.138 0.000 2.339 266 I HA 0.250 4.420 4.170 0.000 0.000 0.290 266 I C 0.395 176.557 176.117 0.075 0.000 0.994 266 I CA -0.595 60.742 61.300 0.062 0.000 1.191 266 I CB 0.765 38.768 38.000 0.005 0.000 1.343 266 I HN 0.250 nan 8.210 nan 0.000 0.458 267 R N 4.543 125.039 120.500 -0.007 0.000 2.873 267 R HA 0.569 4.909 4.340 0.000 0.000 0.264 267 R C -1.154 175.248 176.300 0.170 0.000 1.026 267 R CA -1.015 55.094 56.100 0.015 0.000 1.002 267 R CB 2.062 32.203 30.300 -0.265 0.000 1.174 267 R HN 0.358 nan 8.270 nan 0.000 0.488 268 F N 0.205 120.213 119.950 0.097 0.000 2.483 268 F HA 0.579 5.105 4.527 -0.001 0.000 0.329 268 F C 0.288 176.233 175.800 0.241 0.000 1.064 268 F CA -0.670 57.393 58.000 0.105 0.000 0.986 268 F CB 1.464 40.448 39.000 -0.027 0.000 1.218 268 F HN 0.672 nan 8.300 nan 0.000 0.484 269 A N 2.671 125.436 122.820 -0.092 0.000 2.520 269 A HA 0.452 4.773 4.320 0.000 0.000 0.235 269 A C 0.030 177.821 177.584 0.346 0.000 1.065 269 A CA 0.000 52.160 52.037 0.204 0.000 0.764 269 A CB -0.670 18.465 19.000 0.223 0.000 1.002 269 A HN 1.207 nan 8.150 nan 0.000 0.502 270 A N 2.511 125.528 122.820 0.330 0.000 2.555 270 A HA 0.401 4.721 4.320 0.000 0.000 0.233 270 A C 0.723 178.528 177.584 0.369 0.000 1.060 270 A CA 0.028 52.197 52.037 0.221 0.000 0.759 270 A CB -0.003 18.970 19.000 -0.046 0.000 0.995 270 A HN 0.796 nan 8.150 nan 0.000 0.506 271 R N 1.672 122.331 120.500 0.266 0.000 2.549 271 R HA 0.293 4.633 4.340 0.000 0.000 0.267 271 R C 1.707 178.213 176.300 0.343 0.000 1.045 271 R CA 0.129 56.407 56.100 0.297 0.000 1.115 271 R CB 0.057 30.481 30.300 0.207 0.000 1.121 271 R HN 0.970 nan 8.270 nan 0.000 0.543 272 S N 0.749 116.626 115.700 0.295 0.000 2.380 272 S HA -0.129 4.341 4.470 0.000 0.000 0.229 272 S C -1.026 173.720 174.600 0.243 0.000 1.043 272 S CA 1.258 59.619 58.200 0.269 0.000 1.038 272 S CB -1.115 62.176 63.200 0.152 0.000 0.872 272 S HN 0.442 nan 8.310 nan 0.000 0.456 273 P HA 0.027 nan 4.420 nan 0.000 0.221 273 P C 1.271 178.639 177.300 0.114 0.000 1.150 273 P CA 1.086 64.263 63.100 0.128 0.000 0.800 273 P CB -0.123 31.635 31.700 0.097 0.000 0.787 274 E N -1.236 119.021 120.200 0.095 0.000 2.072 274 E HA -0.143 4.207 4.350 0.000 0.000 0.191 274 E C 1.694 178.268 176.600 -0.044 0.000 0.985 274 E CA 1.044 57.436 56.400 -0.013 0.000 0.801 274 E CB -0.559 29.075 29.700 -0.109 0.000 0.750 274 E HN 0.262 nan 8.360 nan 0.000 0.452 275 F N 1.632 121.625 119.950 0.071 0.000 2.146 275 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 275 F C 2.288 178.140 175.800 0.086 0.000 1.096 275 F CA 1.144 59.178 58.000 0.058 0.000 1.275 275 F CB -0.162 38.845 39.000 0.012 0.000 1.008 275 F HN -0.156 nan 8.300 nan 0.000 0.480 276 K N 0.557 121.111 120.400 0.256 0.000 2.152 276 K HA -0.206 4.114 4.320 0.000 0.000 0.206 276 K C 1.751 178.430 176.600 0.133 0.000 1.048 276 K CA 1.719 58.109 56.287 0.171 0.000 0.933 276 K CB -0.276 32.302 32.500 0.131 0.000 0.721 276 K HN 0.364 nan 8.250 nan 0.000 0.447 277 K N 0.061 120.529 120.400 0.114 0.000 2.404 277 K HA -0.009 4.311 4.320 0.000 0.000 0.194 277 K C 0.144 176.783 176.600 0.065 0.000 1.023 277 K CA 0.065 56.395 56.287 0.071 0.000 1.094 277 K CB -0.055 32.471 32.500 0.043 0.000 0.841 277 K HN 0.080 nan 8.250 nan 0.000 0.523 278 H N 2.561 121.647 119.070 0.026 0.000 2.722 278 H HA 0.107 4.664 4.556 0.000 0.000 0.328 278 H C -1.581 173.765 175.328 0.030 0.000 1.067 278 H CA -1.615 54.439 56.048 0.010 0.000 1.447 278 H CB 1.359 31.117 29.762 -0.006 0.000 1.469 278 H HN -0.080 nan 8.280 nan 0.000 0.544 279 P HA -0.122 nan 4.420 nan 0.000 0.222 279 P C 0.515 177.843 177.300 0.046 0.000 1.147 279 P CA 1.361 64.389 63.100 -0.119 0.000 0.790 279 P CB 0.242 31.824 31.700 -0.197 0.000 0.780 280 A N -0.608 122.371 122.820 0.266 0.000 2.267 280 A HA 0.197 4.517 4.320 0.000 0.000 0.213 280 A C 1.027 178.746 177.584 0.225 0.000 1.192 280 A CA 0.055 52.247 52.037 0.258 0.000 0.851 280 A CB -0.321 18.856 19.000 0.294 0.000 0.881 280 A HN 0.026 nan 8.150 nan 0.000 0.494 281 V N 2.095 122.172 119.914 0.272 0.000 2.614 281 V HA 0.316 4.436 4.120 0.000 0.000 0.291 281 V C 0.194 176.387 176.094 0.165 0.000 1.049 281 V CA -0.186 62.240 62.300 0.209 0.000 1.038 281 V CB 0.749 32.723 31.823 0.252 0.000 0.980 281 V HN 0.449 nan 8.190 nan 0.000 0.481 282 R N 3.136 123.740 120.500 0.175 0.000 2.888 282 R HA 0.515 4.855 4.340 0.000 0.000 0.266 282 R C -0.100 176.338 176.300 0.230 0.000 1.020 282 R CA -0.851 55.338 56.100 0.149 0.000 0.963 282 R CB 1.530 31.881 30.300 0.084 0.000 1.197 282 R HN 0.544 nan 8.270 nan 0.000 0.481 283 K N 0.455 120.954 120.400 0.164 0.000 2.373 283 K HA 0.193 4.513 4.320 0.000 0.000 0.202 283 K C -0.334 176.352 176.600 0.143 0.000 1.025 283 K CA 0.115 56.537 56.287 0.225 0.000 1.115 283 K CB 0.672 33.250 32.500 0.129 0.000 0.858 283 K HN 0.291 nan 8.250 nan 0.000 0.525 284 E N 0.798 120.913 120.200 -0.141 0.000 2.356 284 E HA 0.271 4.621 4.350 0.000 0.000 0.275 284 E C -2.771 173.135 176.600 -1.158 0.000 0.904 284 E CA -2.495 53.536 56.400 -0.615 0.000 0.757 284 E CB 1.984 31.491 29.700 -0.322 0.000 1.232 284 E HN -0.208 nan 8.360 nan 0.000 0.442 285 P HA 0.456 nan 4.420 nan 0.000 0.273 285 P C -0.393 176.533 177.300 -0.623 0.000 1.250 285 P CA -0.216 61.984 63.100 -1.501 0.000 0.793 285 P CB 0.929 32.018 31.700 -1.018 0.000 1.011 286 G N -0.526 108.052 108.800 -0.371 0.000 2.356 286 G HA2 0.407 4.367 3.960 0.000 0.000 0.294 286 G HA3 0.407 4.367 3.960 0.000 0.000 0.294 286 G C -3.316 171.520 174.900 -0.106 0.000 1.423 286 G CA -0.881 44.100 45.100 -0.197 0.000 0.806 286 G HN 0.301 nan 8.290 nan 0.000 0.527 287 P HA 0.339 nan 4.420 nan 0.000 0.264 287 P C 1.038 178.321 177.300 -0.028 0.000 1.193 287 P CA 1.601 64.676 63.100 -0.041 0.000 0.763 287 P CB 0.890 32.569 31.700 -0.034 0.000 0.810 288 G N 2.059 110.849 108.800 -0.017 0.000 2.148 288 G HA2 -0.224 3.736 3.960 0.000 0.000 0.254 288 G HA3 -0.224 3.736 3.960 0.000 0.000 0.254 288 G C -0.192 174.700 174.900 -0.013 0.000 0.981 288 G CA -0.114 44.978 45.100 -0.014 0.000 0.670 288 G HN 0.483 nan 8.290 nan 0.000 0.528 289 L N 0.137 121.361 121.223 0.003 0.000 2.334 289 L HA 0.824 5.164 4.340 0.000 0.000 0.273 289 L C 0.690 177.618 176.870 0.098 0.000 1.013 289 L CA -1.397 53.471 54.840 0.046 0.000 0.816 289 L CB 1.947 44.054 42.059 0.080 0.000 1.278 289 L HN 0.221 nan 8.230 nan 0.000 0.431 290 V N -0.368 119.567 119.914 0.036 0.000 2.960 290 V HA 0.683 4.803 4.120 0.000 0.000 0.315 290 V C -2.647 173.413 176.094 -0.058 0.000 1.087 290 V CA -2.669 59.616 62.300 -0.024 0.000 0.982 290 V CB 1.551 33.065 31.823 -0.515 0.000 1.039 290 V HN 0.499 nan 8.190 nan 0.000 0.437 291 P HA 0.193 nan 4.420 nan 0.000 0.268 291 P C -0.319 176.698 177.300 -0.472 0.000 1.205 291 P CA -0.005 62.718 63.100 -0.627 0.000 0.771 291 P CB 0.664 32.067 31.700 -0.496 0.000 0.858 292 V N 4.907 124.464 119.914 -0.596 0.000 2.439 292 V HA 0.046 4.167 4.120 0.000 0.000 0.271 292 V C 0.844 176.607 176.094 -0.551 0.000 1.040 292 V CA -0.010 61.927 62.300 -0.605 0.000 1.002 292 V CB -0.378 30.959 31.823 -0.811 0.000 1.000 292 V HN 0.344 nan 8.190 nan 0.000 0.477 293 L N 5.456 126.338 121.223 -0.568 0.000 2.418 293 L HA 0.547 4.887 4.340 0.000 0.000 0.265 293 L C 0.831 177.511 176.870 -0.317 0.000 1.143 293 L CA -0.042 54.439 54.840 -0.598 0.000 0.809 293 L CB 1.286 42.572 42.059 -1.288 0.000 1.124 293 L HN 0.825 nan 8.230 nan 0.000 0.456 294 T N -2.262 112.185 114.554 -0.179 0.000 2.807 294 T HA 0.366 4.716 4.350 0.000 0.000 0.277 294 T C 1.105 175.854 174.700 0.082 0.000 1.006 294 T CA -0.114 61.986 62.100 0.000 0.000 1.006 294 T CB 1.245 70.085 68.868 -0.046 0.000 1.274 294 T HN 0.607 nan 8.240 nan 0.000 0.569 295 G N -0.105 108.736 108.800 0.068 0.000 2.475 295 G HA2 -0.183 3.777 3.960 0.000 0.000 0.220 295 G HA3 -0.183 3.777 3.960 0.000 0.000 0.220 295 G C 1.479 176.320 174.900 -0.098 0.000 1.125 295 G CA 0.348 45.465 45.100 0.028 0.000 0.755 295 G HN 0.762 nan 8.290 nan 0.000 0.565 296 R N -0.067 120.285 120.500 -0.247 0.000 2.280 296 R HA 0.016 4.356 4.340 0.000 0.000 0.207 296 R C 1.716 177.774 176.300 -0.403 0.000 1.043 296 R CA 0.965 56.779 56.100 -0.476 0.000 1.006 296 R CB -0.157 29.527 30.300 -1.026 0.000 0.885 296 R HN 0.413 nan 8.270 nan 0.000 0.467 297 N N 0.015 118.569 118.700 -0.243 0.000 2.422 297 N HA -0.018 4.722 4.740 0.000 0.000 0.181 297 N C -0.300 175.053 175.510 -0.261 0.000 1.080 297 N CA 0.077 52.980 53.050 -0.245 0.000 0.893 297 N CB 0.328 38.595 38.487 -0.366 0.000 0.973 297 N HN -0.013 nan 8.380 nan 0.000 0.456 298 L N 1.463 122.617 121.223 -0.115 0.000 2.275 298 L HA 0.347 4.687 4.340 0.000 0.000 0.288 298 L C -0.657 176.016 176.870 -0.329 0.000 1.046 298 L CA -0.226 54.545 54.840 -0.114 0.000 0.805 298 L CB 0.501 42.563 42.059 0.006 0.000 1.193 298 L HN -0.108 nan 8.230 nan 0.000 0.426 299 K N 4.708 124.788 120.400 -0.533 0.000 2.395 299 K HA 0.599 4.919 4.320 0.000 0.000 0.245 299 K C -2.712 173.663 176.600 -0.375 0.000 1.017 299 K CA -2.126 53.784 56.287 -0.629 0.000 0.852 299 K CB 0.913 32.533 32.500 -1.466 0.000 1.311 299 K HN 0.259 nan 8.250 nan 0.000 0.452 300 P HA 0.081 nan 4.420 nan 0.000 0.269 300 P C 0.519 177.875 177.300 0.093 0.000 1.252 300 P CA 0.677 63.757 63.100 -0.033 0.000 0.780 300 P CB -0.009 31.703 31.700 0.019 0.000 0.829 301 G N 2.049 110.902 108.800 0.088 0.000 2.179 301 G HA2 -0.166 3.794 3.960 0.000 0.000 0.260 301 G HA3 -0.166 3.794 3.960 0.000 0.000 0.260 301 G C -0.312 174.788 174.900 0.333 0.000 0.977 301 G CA 0.022 45.239 45.100 0.196 0.000 0.641 301 G HN 0.610 nan 8.290 nan 0.000 0.533 302 W N -1.557 119.764 121.300 0.035 0.000 3.005 302 W HA 0.691 5.351 4.660 -0.001 0.000 0.343 302 W C -1.350 175.151 176.519 -0.029 0.000 1.243 302 W CA -1.095 56.267 57.345 0.028 0.000 1.186 302 W CB 0.826 30.302 29.460 0.026 0.000 1.453 302 W HN 0.453 nan 8.180 nan 0.000 0.575 303 V N 2.002 121.944 119.914 0.046 0.000 2.588 303 V HA 0.148 4.268 4.120 0.000 0.000 0.304 303 V C -0.629 175.246 176.094 -0.364 0.000 1.042 303 V CA -0.318 61.754 62.300 -0.380 0.000 0.877 303 V CB 1.559 32.998 31.823 -0.641 0.000 0.996 303 V HN 0.492 nan 8.190 nan 0.000 0.425 304 D N 2.995 123.146 120.400 -0.416 0.000 2.352 304 D HA 0.180 4.821 4.640 0.000 0.000 0.245 304 D C 0.205 176.303 176.300 -0.337 0.000 1.224 304 D CA 0.070 53.992 54.000 -0.129 0.000 0.879 304 D CB 0.693 41.453 40.800 -0.066 0.000 1.057 304 D HN 0.495 nan 8.370 nan 0.000 0.491 305 Y N 1.939 122.181 120.300 -0.097 0.000 2.511 305 Y HA 0.109 4.659 4.550 0.000 0.000 0.279 305 Y C 1.880 177.750 175.900 -0.050 0.000 1.157 305 Y CA 0.206 58.168 58.100 -0.231 0.000 1.300 305 Y CB 0.296 38.521 38.460 -0.390 0.000 1.052 305 Y HN 0.461 nan 8.280 nan 0.000 0.529 306 E N 0.243 120.509 120.200 0.110 0.000 2.057 306 E HA -0.054 4.296 4.350 0.000 0.000 0.190 306 E C 0.764 177.382 176.600 0.030 0.000 0.969 306 E CA 0.230 56.692 56.400 0.103 0.000 0.812 306 E CB 0.082 29.843 29.700 0.102 0.000 0.777 306 E HN -0.054 nan 8.360 nan 0.000 0.455 307 K N 2.278 122.656 120.400 -0.037 0.000 2.339 307 K HA 0.031 4.351 4.320 0.000 0.000 0.286 307 K C -0.521 175.867 176.600 -0.353 0.000 1.050 307 K CA -0.097 56.084 56.287 -0.177 0.000 0.956 307 K CB 0.517 32.902 32.500 -0.191 0.000 0.990 307 K HN -0.098 nan 8.250 nan 0.000 0.475 308 N N 3.716 122.187 118.700 -0.382 0.000 2.419 308 N HA 0.059 4.799 4.740 0.000 0.000 0.264 308 N C -0.417 174.754 175.510 -0.565 0.000 1.031 308 N CA -0.100 52.646 53.050 -0.506 0.000 0.951 308 N CB 0.510 38.620 38.487 -0.629 0.000 1.101 308 N HN 0.677 nan 8.380 nan 0.000 0.488 309 H N 0.851 119.766 119.070 -0.258 0.000 2.827 309 H HA 0.071 4.627 4.556 0.001 0.000 0.269 309 H C 1.238 176.453 175.328 -0.189 0.000 1.031 309 H CA 0.304 56.245 56.048 -0.177 0.000 1.202 309 H CB 0.674 30.349 29.762 -0.145 0.000 1.511 309 H HN 0.622 nan 8.280 nan 0.000 0.517 310 S N -0.563 115.020 115.700 -0.194 0.000 2.503 310 S HA 0.165 4.635 4.470 0.000 0.000 0.217 310 S C 1.860 176.351 174.600 -0.182 0.000 0.999 310 S CA 0.595 58.675 58.200 -0.200 0.000 0.914 310 S CB 0.385 63.396 63.200 -0.315 0.000 0.782 310 S HN 0.462 nan 8.310 nan 0.000 0.520 311 G N 0.951 109.605 108.800 -0.243 0.000 2.162 311 G HA2 -0.215 3.745 3.960 0.000 0.000 0.260 311 G HA3 -0.215 3.745 3.960 0.000 0.000 0.260 311 G C -0.141 174.743 174.900 -0.026 0.000 0.976 311 G CA 0.590 45.645 45.100 -0.075 0.000 0.655 311 G HN 0.561 nan 8.290 nan 0.000 0.533 312 L N -0.891 120.140 121.223 -0.319 0.000 2.381 312 L HA 0.778 5.118 4.340 0.000 0.000 0.268 312 L C -0.190 176.491 176.870 -0.315 0.000 0.997 312 L CA -1.209 53.553 54.840 -0.131 0.000 0.818 312 L CB 1.717 43.672 42.059 -0.174 0.000 1.310 312 L HN 0.134 nan 8.230 nan 0.000 0.416 313 W N 4.187 125.433 121.300 -0.089 0.000 3.127 313 W HA 0.690 5.350 4.660 0.001 0.000 0.330 313 W C -0.497 175.978 176.519 -0.074 0.000 1.187 313 W CA -0.656 56.630 57.345 -0.098 0.000 1.198 313 W CB 2.448 31.865 29.460 -0.072 0.000 1.408 313 W HN 0.449 nan 8.180 nan 0.000 0.529 314 M N 1.275 120.945 119.600 0.117 0.000 2.682 314 M HA 0.509 4.989 4.480 0.000 0.000 0.272 314 M C -3.065 173.229 176.300 -0.010 0.000 1.232 314 M CA -2.050 53.284 55.300 0.056 0.000 0.849 314 M CB 2.322 34.935 32.600 0.022 0.000 1.695 314 M HN -0.147 nan 8.290 nan 0.000 0.481 315 P HA 0.128 nan 4.420 nan 0.000 0.267 315 P C -0.266 176.976 177.300 -0.096 0.000 1.209 315 P CA 0.034 63.109 63.100 -0.041 0.000 0.763 315 P CB 0.755 32.452 31.700 -0.006 0.000 0.816 316 K N 3.495 123.801 120.400 -0.157 0.000 2.074 316 K HA -0.219 4.101 4.320 0.000 0.000 0.209 316 K C 1.279 177.819 176.600 -0.101 0.000 1.048 316 K CA 1.434 57.593 56.287 -0.213 0.000 0.926 316 K CB 0.005 32.323 32.500 -0.304 0.000 0.713 316 K HN 0.362 nan 8.250 nan 0.000 0.444 317 E N 0.277 120.444 120.200 -0.055 0.000 2.333 317 E HA -0.154 4.196 4.350 0.000 0.000 0.198 317 E C 1.556 178.153 176.600 -0.005 0.000 1.007 317 E CA 0.879 57.271 56.400 -0.013 0.000 0.845 317 E CB 0.038 29.738 29.700 0.000 0.000 0.766 317 E HN 0.336 nan 8.360 nan 0.000 0.507 318 R N -0.204 120.282 120.500 -0.024 0.000 2.334 318 R HA 0.236 4.576 4.340 0.000 0.000 0.216 318 R C 1.953 178.204 176.300 -0.081 0.000 0.905 318 R CA 0.439 56.528 56.100 -0.018 0.000 1.064 318 R CB 0.233 30.549 30.300 0.027 0.000 1.046 318 R HN 0.012 nan 8.270 nan 0.000 0.508 319 A N 2.540 125.315 122.820 -0.075 0.000 1.972 319 A HA -0.234 4.086 4.320 0.000 0.000 0.219 319 A C 2.004 179.619 177.584 0.051 0.000 1.169 319 A CA 1.555 53.548 52.037 -0.074 0.000 0.635 319 A CB -0.269 18.662 19.000 -0.115 0.000 0.810 319 A HN 0.362 nan 8.150 nan 0.000 0.446 320 K N 0.035 120.465 120.400 0.050 0.000 2.280 320 K HA -0.132 4.188 4.320 0.000 0.000 0.202 320 K C 1.319 177.898 176.600 -0.035 0.000 1.047 320 K CA 1.570 57.869 56.287 0.019 0.000 0.942 320 K CB -0.285 32.227 32.500 0.020 0.000 0.739 320 K HN 0.568 nan 8.250 nan 0.000 0.457 321 E N 0.807 120.994 120.200 -0.021 0.000 2.204 321 E HA -0.126 4.225 4.350 0.000 0.000 0.194 321 E C 1.738 178.307 176.600 -0.051 0.000 0.989 321 E CA 0.932 57.331 56.400 -0.002 0.000 0.824 321 E CB -0.078 29.693 29.700 0.118 0.000 0.756 321 E HN 0.250 nan 8.360 nan 0.000 0.477 322 L N -0.102 121.052 121.223 -0.116 0.000 2.068 322 L HA -0.002 4.338 4.340 0.000 0.000 0.204 322 L C 0.791 177.521 176.870 -0.234 0.000 1.076 322 L CA 1.020 55.749 54.840 -0.184 0.000 0.753 322 L CB 0.193 42.041 42.059 -0.352 0.000 0.910 322 L HN -0.119 nan 8.230 nan 0.000 0.439 323 R N 0.163 120.453 120.500 -0.350 0.000 2.533 323 R HA 0.146 4.486 4.340 0.000 0.000 0.288 323 R C 0.008 175.879 176.300 -0.716 0.000 1.039 323 R CA -0.366 55.248 56.100 -0.810 0.000 0.909 323 R CB 1.330 30.498 30.300 -1.887 0.000 1.195 323 R HN 0.118 nan 8.270 nan 0.000 0.438 324 D N 2.872 122.995 120.400 -0.461 0.000 2.182 324 D HA -0.210 4.430 4.640 0.000 0.000 0.201 324 D C 1.325 177.491 176.300 -0.222 0.000 0.986 324 D CA 1.416 55.273 54.000 -0.238 0.000 0.847 324 D CB -0.204 40.531 40.800 -0.107 0.000 0.942 324 D HN 0.608 nan 8.370 nan 0.000 0.467 325 F N -0.738 119.075 119.950 -0.229 0.000 2.546 325 F HA 0.039 4.567 4.527 0.002 0.000 0.298 325 F C 1.577 177.252 175.800 -0.209 0.000 1.120 325 F CA -0.132 57.708 58.000 -0.265 0.000 1.456 325 F CB -0.846 37.920 39.000 -0.391 0.000 1.088 325 F HN -0.235 nan 8.300 nan 0.000 0.572 326 Y N 1.447 121.610 120.300 -0.229 0.000 2.574 326 Y HA 0.090 4.640 4.550 0.000 0.000 0.294 326 Y C 2.498 178.473 175.900 0.125 0.000 1.142 326 Y CA -0.079 58.050 58.100 0.048 0.000 1.314 326 Y CB -1.124 37.300 38.460 -0.059 0.000 0.991 326 Y HN 0.287 nan 8.280 nan 0.000 0.555 327 A N -0.387 122.551 122.820 0.197 0.000 2.015 327 A HA -0.023 4.297 4.320 0.000 0.000 0.219 327 A C 1.281 178.979 177.584 0.190 0.000 1.163 327 A CA 1.526 53.658 52.037 0.158 0.000 0.646 327 A CB -0.758 18.300 19.000 0.096 0.000 0.806 327 A HN 0.320 nan 8.150 nan 0.000 0.448 328 T N -3.770 110.929 114.554 0.241 0.000 2.906 328 T HA 0.594 4.944 4.350 0.000 0.000 0.295 328 T C -3.365 171.507 174.700 0.287 0.000 1.061 328 T CA -2.361 59.880 62.100 0.235 0.000 1.000 328 T CB 1.837 70.828 68.868 0.204 0.000 1.103 328 T HN -0.128 nan 8.240 nan 0.000 0.486 329 P HA 0.211 nan 4.420 nan 0.000 0.266 329 P C -0.408 176.621 177.300 -0.452 0.000 1.195 329 P CA 0.250 63.255 63.100 -0.158 0.000 0.768 329 P CB 0.111 31.820 31.700 0.015 0.000 0.838 330 H N 0.701 119.176 119.070 -0.991 0.000 2.967 330 H HA 0.361 4.917 4.556 -0.000 0.000 0.318 330 H C -1.476 173.370 175.328 -0.804 0.000 1.375 330 H CA -1.157 54.356 56.048 -0.892 0.000 1.132 330 H CB 0.275 29.912 29.762 -0.208 0.000 1.848 330 H HN 0.184 nan 8.280 nan 0.000 0.524 331 L N 1.608 122.697 121.223 -0.223 0.000 2.380 331 L HA 0.371 4.711 4.340 0.000 0.000 0.273 331 L C -0.811 175.917 176.870 -0.237 0.000 1.138 331 L CA -0.058 54.731 54.840 -0.085 0.000 0.832 331 L CB 0.620 42.679 42.059 0.000 0.000 1.124 331 L HN 0.458 nan 8.230 nan 0.000 0.454 332 V N 5.787 125.481 119.914 -0.367 0.000 2.540 332 V HA 0.582 4.702 4.120 0.000 0.000 0.302 332 V C -0.487 175.356 176.094 -0.418 0.000 1.035 332 V CA -0.685 61.245 62.300 -0.615 0.000 0.873 332 V CB 1.872 33.090 31.823 -1.008 0.000 0.992 332 V HN 0.561 nan 8.190 nan 0.000 0.428 333 V N 3.153 122.863 119.914 -0.340 0.000 2.604 333 V HA 0.765 4.885 4.120 0.000 0.000 0.305 333 V C 0.453 176.548 176.094 0.002 0.000 1.043 333 V CA -0.763 61.461 62.300 -0.127 0.000 0.888 333 V CB 1.966 33.748 31.823 -0.068 0.000 0.995 333 V HN 1.023 nan 8.190 nan 0.000 0.429 334 A N 1.557 124.386 122.820 0.015 0.000 2.425 334 A HA 0.387 4.707 4.320 0.000 0.000 0.249 334 A C 0.569 178.322 177.584 0.282 0.000 1.084 334 A CA 0.278 52.350 52.037 0.059 0.000 0.781 334 A CB -0.028 18.976 19.000 0.007 0.000 1.019 334 A HN 1.082 nan 8.150 nan 0.000 0.490 335 H N 0.769 119.902 119.070 0.105 0.000 2.615 335 H HA 0.190 4.746 4.556 -0.000 0.000 0.275 335 H C 0.231 175.747 175.328 0.313 0.000 0.981 335 H CA 1.640 57.831 56.048 0.238 0.000 1.252 335 H CB 0.717 30.505 29.762 0.042 0.000 1.447 335 H HN 0.484 nan 8.280 nan 0.000 0.498 336 T N 1.069 115.693 114.554 0.117 0.000 3.532 336 T HA 0.282 4.632 4.350 0.000 0.000 0.241 336 T C 0.127 174.780 174.700 -0.078 0.000 1.238 336 T CA -0.437 61.630 62.100 -0.055 0.000 1.405 336 T CB 0.122 68.981 68.868 -0.014 0.000 0.971 336 T HN 0.197 nan 8.240 nan 0.000 0.640 337 K N 1.387 121.751 120.400 -0.059 0.000 2.564 337 K HA 0.465 4.785 4.320 0.000 0.000 0.205 337 K C 1.179 177.736 176.600 -0.071 0.000 1.053 337 K CA -0.426 55.822 56.287 -0.065 0.000 1.072 337 K CB 1.119 33.591 32.500 -0.047 0.000 0.822 337 K HN 0.561 nan 8.250 nan 0.000 0.497 338 G N 1.139 109.876 108.800 -0.105 0.000 2.598 338 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 338 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 338 G C -0.152 174.719 174.900 -0.049 0.000 1.302 338 G CA -0.449 44.596 45.100 -0.091 0.000 0.903 338 G HN 0.140 nan 8.290 nan 0.000 0.575 339 T N 2.455 116.981 114.554 -0.046 0.000 3.781 339 T HA 0.559 4.909 4.350 0.000 0.000 0.286 339 T C 0.557 175.242 174.700 -0.025 0.000 1.277 339 T CA 0.574 62.656 62.100 -0.030 0.000 1.136 339 T CB -0.391 68.445 68.868 -0.053 0.000 1.202 339 T HN 0.643 nan 8.240 nan 0.000 0.884 340 R N 0.704 121.195 120.500 -0.015 0.000 2.710 340 R HA 0.594 4.934 4.340 0.000 0.000 0.270 340 R C -1.625 174.663 176.300 -0.020 0.000 1.021 340 R CA -0.940 55.145 56.100 -0.025 0.000 0.889 340 R CB 2.093 32.374 30.300 -0.032 0.000 1.243 340 R HN 0.155 nan 8.270 nan 0.000 0.464 341 V N 2.454 122.341 119.914 -0.045 0.000 2.350 341 V HA 0.384 4.504 4.120 0.000 0.000 0.285 341 V C -0.645 175.407 176.094 -0.070 0.000 1.014 341 V CA -0.683 61.580 62.300 -0.061 0.000 0.831 341 V CB 1.617 33.377 31.823 -0.104 0.000 1.000 341 V HN 0.417 nan 8.190 nan 0.000 0.433 342 V N 4.255 124.135 119.914 -0.056 0.000 2.444 342 V HA 0.896 5.016 4.120 0.000 0.000 0.294 342 V C 0.182 176.226 176.094 -0.083 0.000 1.022 342 V CA -0.335 61.924 62.300 -0.068 0.000 0.850 342 V CB 1.631 33.412 31.823 -0.070 0.000 0.992 342 V HN 0.955 nan 8.190 nan 0.000 0.426 343 A N 3.964 126.736 122.820 -0.079 0.000 2.435 343 A HA 1.055 5.376 4.320 0.000 0.000 0.304 343 A C -0.517 177.039 177.584 -0.046 0.000 1.064 343 A CA -0.179 51.808 52.037 -0.084 0.000 0.727 343 A CB 2.087 21.044 19.000 -0.072 0.000 1.284 343 A HN 1.595 nan 8.150 nan 0.000 0.415 344 A N 0.931 123.721 122.820 -0.051 0.000 2.594 344 A HA 0.663 4.984 4.320 0.000 0.000 0.295 344 A C -1.451 176.192 177.584 0.097 0.000 1.071 344 A CA -0.338 51.726 52.037 0.044 0.000 0.685 344 A CB 0.918 19.926 19.000 0.013 0.000 1.285 344 A HN 1.418 nan 8.150 nan 0.000 0.405 345 W N 2.762 124.064 121.300 0.004 0.000 2.332 345 W HA 0.380 5.040 4.660 0.000 0.000 0.306 345 W C -1.187 175.375 176.519 0.071 0.000 1.149 345 W CA 0.040 57.395 57.345 0.018 0.000 1.271 345 W CB 1.244 30.740 29.460 0.060 0.000 1.243 345 W HN 0.784 nan 8.180 nan 0.000 0.459 346 D N 4.963 125.134 120.400 -0.382 0.000 2.435 346 D HA -0.062 4.578 4.640 0.000 0.000 0.230 346 D C 1.446 177.628 176.300 -0.197 0.000 1.215 346 D CA 0.207 54.144 54.000 -0.105 0.000 0.947 346 D CB 0.589 41.380 40.800 -0.015 0.000 1.048 346 D HN 0.609 nan 8.370 nan 0.000 0.512 347 E N 3.145 123.409 120.200 0.106 0.000 2.274 347 E HA -0.129 4.221 4.350 0.000 0.000 0.194 347 E C 1.032 177.707 176.600 0.126 0.000 0.996 347 E CA 0.387 56.903 56.400 0.193 0.000 0.840 347 E CB 0.085 29.999 29.700 0.357 0.000 0.772 347 E HN 0.371 nan 8.360 nan 0.000 0.491 348 R N 0.544 121.091 120.500 0.078 0.000 2.276 348 R HA 0.223 4.563 4.340 0.000 0.000 0.196 348 R C 0.577 177.017 176.300 0.234 0.000 0.961 348 R CA 0.519 56.644 56.100 0.041 0.000 1.024 348 R CB 0.101 30.195 30.300 -0.343 0.000 0.940 348 R HN 0.215 nan 8.270 nan 0.000 0.480 349 A N 1.146 124.126 122.820 0.267 0.000 2.303 349 A HA -0.229 4.091 4.320 0.000 0.000 0.286 349 A C -0.638 177.203 177.584 0.430 0.000 1.429 349 A CA 0.497 52.743 52.037 0.349 0.000 0.738 349 A CB -1.953 17.211 19.000 0.275 0.000 1.149 349 A HN 0.314 nan 8.150 nan 0.000 0.364 350 Y N 0.674 121.106 120.300 0.220 0.000 2.326 350 Y HA 0.524 5.074 4.550 0.000 0.000 0.324 350 Y C -1.534 174.306 175.900 -0.100 0.000 1.291 350 Y CA -1.708 56.400 58.100 0.014 0.000 1.348 350 Y CB 0.578 38.977 38.460 -0.101 0.000 1.294 350 Y HN 0.408 nan 8.280 nan 0.000 0.525 351 P HA 0.004 nan 4.420 nan 0.000 0.276 351 P C -1.335 175.692 177.300 -0.456 0.000 1.230 351 P CA 0.015 62.821 63.100 -0.490 0.000 0.776 351 P CB 0.466 31.979 31.700 -0.312 0.000 0.888 352 W N 2.290 123.276 121.300 -0.523 0.000 2.736 352 W HA 0.482 5.143 4.660 0.002 0.000 0.335 352 W C 1.458 177.970 176.519 -0.013 0.000 1.059 352 W CA -0.527 56.744 57.345 -0.123 0.000 1.226 352 W CB 1.923 31.516 29.460 0.222 0.000 1.416 352 W HN 0.320 nan 8.180 nan 0.000 0.505 353 R N 0.650 121.204 120.500 0.090 0.000 2.312 353 R HA 0.131 4.471 4.340 0.000 0.000 0.205 353 R C -0.284 176.165 176.300 0.249 0.000 0.904 353 R CA 0.750 56.926 56.100 0.126 0.000 1.052 353 R CB 0.466 30.660 30.300 -0.176 0.000 1.014 353 R HN 0.418 nan 8.270 nan 0.000 0.503 354 E N 0.405 120.758 120.200 0.254 0.000 2.449 354 E HA 0.282 4.632 4.350 0.000 0.000 0.278 354 E C -0.826 175.684 176.600 -0.149 0.000 0.992 354 E CA -0.681 55.771 56.400 0.087 0.000 0.807 354 E CB 1.631 31.420 29.700 0.148 0.000 1.350 354 E HN 0.031 nan 8.360 nan 0.000 0.462 355 E N -0.597 119.180 120.200 -0.704 0.000 7.966 355 E HA -0.130 4.220 4.350 0.000 0.000 0.544 355 E C -1.078 174.751 176.600 -1.285 0.000 1.376 355 E CA 0.154 56.056 56.400 -0.829 0.000 2.694 355 E CB -0.977 28.390 29.700 -0.555 0.000 0.928 355 E HN 0.345 nan 8.360 nan 0.000 0.262 356 F N 1.081 120.641 119.950 -0.649 0.000 2.384 356 F HA 0.331 4.860 4.527 0.002 0.000 0.338 356 F C 1.206 176.544 175.800 -0.770 0.000 1.103 356 F CA 0.124 57.839 58.000 -0.476 0.000 1.157 356 F CB 0.727 39.596 39.000 -0.217 0.000 1.167 356 F HN 0.138 nan 8.300 nan 0.000 0.529 357 H N 4.213 123.157 119.070 -0.210 0.000 2.646 357 H HA 0.388 4.945 4.556 0.001 0.000 0.328 357 H C -1.188 173.928 175.328 -0.353 0.000 0.998 357 H CA -0.745 55.091 56.048 -0.353 0.000 1.225 357 H CB 1.750 31.107 29.762 -0.676 0.000 1.457 357 H HN 0.334 nan 8.280 nan 0.000 0.505 358 L N 4.526 125.665 121.223 -0.139 0.000 2.282 358 L HA 0.231 4.571 4.340 0.000 0.000 0.288 358 L C -0.478 176.489 176.870 0.161 0.000 1.033 358 L CA -0.290 54.513 54.840 -0.062 0.000 0.807 358 L CB 1.211 43.063 42.059 -0.346 0.000 1.209 358 L HN 0.380 nan 8.230 nan 0.000 0.423 359 L N 5.881 127.272 121.223 0.280 0.000 2.349 359 L HA 0.513 4.853 4.340 0.000 0.000 0.278 359 L C -2.205 174.865 176.870 0.333 0.000 0.996 359 L CA -1.710 53.302 54.840 0.288 0.000 0.825 359 L CB 1.926 44.062 42.059 0.129 0.000 1.243 359 L HN 0.334 nan 8.230 nan 0.000 0.412 360 P HA 0.091 nan 4.420 nan 0.000 0.268 360 P C -0.261 176.938 177.300 -0.168 0.000 1.204 360 P CA -0.150 62.800 63.100 -0.248 0.000 0.768 360 P CB 1.026 32.644 31.700 -0.136 0.000 0.842 361 K N 1.539 121.720 120.400 -0.365 0.000 2.149 361 K HA 0.099 4.419 4.320 0.000 0.000 0.245 361 K C 0.724 177.255 176.600 -0.115 0.000 1.024 361 K CA -0.481 55.622 56.287 -0.307 0.000 0.899 361 K CB 0.298 32.544 32.500 -0.422 0.000 1.038 361 K HN 0.455 nan 8.250 nan 0.000 0.496 362 E N 0.577 120.761 120.200 -0.026 0.000 2.694 362 E HA -0.115 4.235 4.350 0.000 0.000 0.250 362 E C 0.747 177.329 176.600 -0.031 0.000 0.963 362 E CA 1.175 57.575 56.400 -0.000 0.000 0.949 362 E CB 0.251 29.965 29.700 0.024 0.000 0.911 362 E HN 0.874 nan 8.360 nan 0.000 0.500 363 G N 2.386 111.176 108.800 -0.018 0.000 2.179 363 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 363 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 363 G C 0.333 175.213 174.900 -0.033 0.000 0.977 363 G CA 0.184 45.276 45.100 -0.014 0.000 0.641 363 G HN 0.431 nan 8.290 nan 0.000 0.533 364 V N 1.027 120.895 119.914 -0.076 0.000 2.488 364 V HA 0.503 4.623 4.120 0.000 0.000 0.277 364 V C 0.829 176.882 176.094 -0.068 0.000 1.046 364 V CA -0.073 62.158 62.300 -0.114 0.000 0.986 364 V CB 1.178 32.845 31.823 -0.260 0.000 0.989 364 V HN 0.370 nan 8.190 nan 0.000 0.475 365 R N 5.678 126.155 120.500 -0.039 0.000 2.320 365 R HA 0.604 4.944 4.340 0.000 0.000 0.319 365 R C -0.804 175.494 176.300 -0.003 0.000 0.969 365 R CA -0.478 55.617 56.100 -0.009 0.000 0.857 365 R CB 1.226 31.527 30.300 0.001 0.000 1.160 365 R HN 0.755 nan 8.270 nan 0.000 0.491 366 L N -0.949 120.283 121.223 0.016 0.000 2.317 366 L HA 0.650 4.990 4.340 0.000 0.000 0.281 366 L C -0.596 176.275 176.870 0.002 0.000 1.024 366 L CA -0.943 53.925 54.840 0.047 0.000 0.810 366 L CB 1.846 43.996 42.059 0.151 0.000 1.240 366 L HN 0.321 nan 8.230 nan 0.000 0.427 367 D N 3.684 124.082 120.400 -0.004 0.000 2.411 367 D HA 0.357 4.997 4.640 0.000 0.000 0.225 367 D C -1.710 174.542 176.300 -0.081 0.000 1.156 367 D CA -1.791 52.173 54.000 -0.060 0.000 0.874 367 D CB 1.541 42.315 40.800 -0.042 0.000 1.034 367 D HN 0.376 nan 8.370 nan 0.000 0.502 368 P HA -0.198 nan 4.420 nan 0.000 0.215 368 P C 1.369 178.586 177.300 -0.138 0.000 1.157 368 P CA 1.203 64.127 63.100 -0.293 0.000 0.874 368 P CB 0.074 31.141 31.700 -1.056 0.000 0.790 369 S N -1.358 114.244 115.700 -0.164 0.000 2.368 369 S HA -0.162 4.308 4.470 0.000 0.000 0.225 369 S C 2.262 176.868 174.600 0.011 0.000 1.030 369 S CA 1.609 59.776 58.200 -0.054 0.000 0.999 369 S CB -1.567 61.599 63.200 -0.057 0.000 0.844 369 S HN 0.080 nan 8.310 nan 0.000 0.459 370 S N 1.141 116.845 115.700 0.006 0.000 2.368 370 S HA -0.022 4.448 4.470 0.000 0.000 0.225 370 S C 1.785 176.448 174.600 0.106 0.000 1.030 370 S CA 1.163 59.390 58.200 0.044 0.000 0.999 370 S CB -0.650 62.561 63.200 0.018 0.000 0.844 370 S HN 0.466 nan 8.310 nan 0.000 0.459 371 L N 1.629 122.915 121.223 0.106 0.000 2.056 371 L HA 0.054 4.394 4.340 0.000 0.000 0.207 371 L C 2.289 179.250 176.870 0.152 0.000 1.078 371 L CA 1.579 56.521 54.840 0.170 0.000 0.749 371 L CB -0.919 41.238 42.059 0.163 0.000 0.901 371 L HN 0.197 nan 8.230 nan 0.000 0.433 372 V N -0.285 119.692 119.914 0.104 0.000 2.287 372 V HA -0.363 3.758 4.120 0.000 0.000 0.248 372 V C 2.605 178.751 176.094 0.086 0.000 1.053 372 V CA 2.134 64.485 62.300 0.085 0.000 1.027 372 V CB -0.674 31.212 31.823 0.104 0.000 0.646 372 V HN 0.567 nan 8.190 nan 0.000 0.447 373 Q N -1.363 118.505 119.800 0.112 0.000 2.096 373 Q HA -0.260 4.080 4.340 0.000 0.000 0.204 373 Q C 2.159 178.266 176.000 0.177 0.000 0.982 373 Q CA 2.176 58.053 55.803 0.124 0.000 0.850 373 Q CB -0.270 28.540 28.738 0.120 0.000 0.901 373 Q HN 0.867 nan 8.270 nan 0.000 0.422 374 W N 1.137 122.442 121.300 0.008 0.000 2.379 374 W HA -0.178 4.482 4.660 -0.000 0.000 0.307 374 W C 1.429 177.947 176.519 -0.001 0.000 1.200 374 W CA 0.874 58.220 57.345 0.001 0.000 1.297 374 W CB -0.082 29.378 29.460 -0.001 0.000 1.140 374 W HN 0.132 nan 8.180 nan 0.000 0.507 375 L N 1.156 122.281 121.223 -0.162 0.000 2.131 375 L HA -0.257 4.083 4.340 0.000 0.000 0.210 375 L C 1.844 178.564 176.870 -0.249 0.000 1.092 375 L CA 1.217 55.872 54.840 -0.309 0.000 0.759 375 L CB -0.980 40.989 42.059 -0.150 0.000 0.903 375 L HN -0.004 nan 8.230 nan 0.000 0.435 376 N N -0.191 118.433 118.700 -0.127 0.000 2.398 376 N HA -0.015 4.725 4.740 0.000 0.000 0.188 376 N C 0.750 176.212 175.510 -0.080 0.000 1.122 376 N CA 0.277 53.279 53.050 -0.080 0.000 0.866 376 N CB 0.033 38.513 38.487 -0.012 0.000 0.970 376 N HN 0.309 nan 8.380 nan 0.000 0.462 377 S N 0.302 115.926 115.700 -0.126 0.000 2.584 377 S HA 0.121 4.591 4.470 0.000 0.000 0.270 377 S C 1.246 175.791 174.600 -0.092 0.000 1.346 377 S CA -0.384 57.775 58.200 -0.069 0.000 1.018 377 S CB 1.499 64.693 63.200 -0.011 0.000 0.899 377 S HN -0.026 nan 8.310 nan 0.000 0.542 378 E N 1.561 121.745 120.200 -0.026 0.000 2.110 378 E HA -0.116 4.234 4.350 0.000 0.000 0.193 378 E C 2.388 178.967 176.600 -0.034 0.000 0.988 378 E CA 1.591 57.978 56.400 -0.022 0.000 0.804 378 E CB -1.131 28.574 29.700 0.009 0.000 0.745 378 E HN 0.823 nan 8.360 nan 0.000 0.458 379 A N 0.910 123.718 122.820 -0.020 0.000 1.883 379 A HA -0.219 4.101 4.320 0.000 0.000 0.217 379 A C 2.235 179.751 177.584 -0.113 0.000 1.186 379 A CA 2.152 54.188 52.037 -0.001 0.000 0.624 379 A CB -0.481 18.604 19.000 0.141 0.000 0.822 379 A HN 0.247 nan 8.150 nan 0.000 0.444 380 M N -0.616 118.778 119.600 -0.342 0.000 2.159 380 M HA -0.144 4.336 4.480 0.000 0.000 0.263 380 M C 1.993 178.216 176.300 -0.129 0.000 1.063 380 M CA 1.617 56.692 55.300 -0.375 0.000 1.110 380 M CB -0.402 31.799 32.600 -0.666 0.000 1.374 380 M HN 0.396 nan 8.290 nan 0.000 0.411 381 Q N 0.025 119.761 119.800 -0.108 0.000 2.079 381 Q HA -0.195 4.146 4.340 0.000 0.000 0.200 381 Q C 2.163 178.146 176.000 -0.027 0.000 0.974 381 Q CA 1.755 57.524 55.803 -0.057 0.000 0.840 381 Q CB -0.791 27.916 28.738 -0.053 0.000 0.898 381 Q HN 0.639 nan 8.270 nan 0.000 0.430 382 K N -0.066 120.326 120.400 -0.014 0.000 2.057 382 K HA -0.231 4.089 4.320 0.000 0.000 0.207 382 K C 2.089 178.700 176.600 0.018 0.000 1.049 382 K CA 1.444 57.731 56.287 0.000 0.000 0.931 382 K CB -0.182 32.329 32.500 0.018 0.000 0.714 382 K HN 0.190 nan 8.250 nan 0.000 0.440 383 H N 0.428 119.463 119.070 -0.059 0.000 2.265 383 H HA -0.149 4.406 4.556 -0.002 0.000 0.295 383 H C 1.826 177.108 175.328 -0.076 0.000 1.084 383 H CA 2.824 58.839 56.048 -0.054 0.000 1.261 383 H CB -0.298 29.434 29.762 -0.049 0.000 1.360 383 H HN 0.136 nan 8.280 nan 0.000 0.487 384 V N -1.152 118.744 119.914 -0.031 0.000 2.453 384 V HA -0.108 4.012 4.120 0.000 0.000 0.247 384 V C 2.410 178.452 176.094 -0.086 0.000 1.048 384 V CA 1.822 64.110 62.300 -0.020 0.000 1.049 384 V CB -0.568 31.334 31.823 0.131 0.000 0.672 384 V HN 0.287 nan 8.190 nan 0.000 0.457 385 R N 0.509 120.950 120.500 -0.098 0.000 2.091 385 R HA -0.110 4.230 4.340 0.000 0.000 0.238 385 R C 2.528 178.689 176.300 -0.233 0.000 1.136 385 R CA 2.150 58.164 56.100 -0.144 0.000 0.959 385 R CB -0.919 29.317 30.300 -0.106 0.000 0.856 385 R HN 0.620 nan 8.270 nan 0.000 0.437 386 T N 1.692 116.118 114.554 -0.214 0.000 2.652 386 T HA -0.131 4.219 4.350 0.000 0.000 0.267 386 T C 1.921 176.425 174.700 -0.327 0.000 1.039 386 T CA 1.200 63.168 62.100 -0.221 0.000 1.153 386 T CB -0.197 68.600 68.868 -0.117 0.000 0.863 386 T HN 0.132 nan 8.240 nan 0.000 0.428 387 L N -0.918 120.002 121.223 -0.504 0.000 2.093 387 L HA -0.063 4.277 4.340 0.000 0.000 0.208 387 L C 1.803 178.189 176.870 -0.806 0.000 1.085 387 L CA 1.415 55.789 54.840 -0.777 0.000 0.755 387 L CB -0.234 40.972 42.059 -1.422 0.000 0.904 387 L HN 0.351 nan 8.230 nan 0.000 0.435 388 Y N -2.224 117.819 120.300 -0.429 0.000 2.471 388 Y HA 0.249 4.801 4.550 0.003 0.000 0.249 388 Y C 1.333 176.524 175.900 -1.182 0.000 1.116 388 Y CA -1.037 56.605 58.100 -0.765 0.000 1.240 388 Y CB 0.069 38.297 38.460 -0.386 0.000 1.251 388 Y HN -0.035 nan 8.280 nan 0.000 0.527 389 R N 0.891 120.981 120.500 -0.682 0.000 3.707 389 R HA -0.283 4.057 4.340 0.000 0.000 0.504 389 R C -0.063 176.020 176.300 -0.362 0.000 0.241 389 R CA 2.092 57.850 56.100 -0.571 0.000 1.576 389 R CB -1.431 28.404 30.300 -0.775 0.000 0.924 389 R HN 0.437 nan 8.270 nan 0.000 0.597 390 D N -0.078 120.191 120.400 -0.218 0.000 2.720 390 D HA 0.138 4.778 4.640 0.000 0.000 0.285 390 D C 0.880 177.275 176.300 0.158 0.000 1.359 390 D CA -0.215 53.776 54.000 -0.014 0.000 0.818 390 D CB -0.115 40.718 40.800 0.056 0.000 1.108 390 D HN 0.185 nan 8.370 nan 0.000 0.474 391 F N 1.486 121.492 119.950 0.094 0.000 2.095 391 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 391 F C 1.523 177.351 175.800 0.046 0.000 1.104 391 F CA 0.436 58.481 58.000 0.076 0.000 1.232 391 F CB -0.823 38.203 39.000 0.042 0.000 0.987 391 F HN 0.049 nan 8.300 nan 0.000 0.475 392 V N -3.736 116.320 119.914 0.237 0.000 3.040 392 V HA 0.493 4.613 4.120 0.000 0.000 0.312 392 V C -2.332 173.792 176.094 0.051 0.000 1.115 392 V CA -1.736 60.660 62.300 0.159 0.000 0.998 392 V CB 1.908 33.858 31.823 0.211 0.000 1.042 392 V HN -0.171 nan 8.190 nan 0.000 0.433 393 P HA 0.286 nan 4.420 nan 0.000 0.255 393 P C -0.356 176.664 177.300 -0.468 0.000 1.427 393 P CA 0.511 63.458 63.100 -0.254 0.000 0.863 393 P CB -0.454 31.047 31.700 -0.332 0.000 1.444 394 H N -1.357 117.663 119.070 -0.083 0.000 2.946 394 H HA 0.487 5.043 4.556 -0.000 0.000 0.365 394 H C -0.871 174.438 175.328 -0.033 0.000 1.197 394 H CA -0.984 54.979 56.048 -0.141 0.000 1.131 394 H CB 1.396 30.989 29.762 -0.281 0.000 1.849 394 H HN -0.150 nan 8.280 nan 0.000 0.555 395 L N 2.270 123.619 121.223 0.211 0.000 2.260 395 L HA 0.338 4.678 4.340 0.000 0.000 0.289 395 L C 0.174 177.288 176.870 0.406 0.000 1.057 395 L CA -0.091 54.865 54.840 0.192 0.000 0.811 395 L CB 0.421 42.586 42.059 0.176 0.000 1.184 395 L HN 0.849 nan 8.230 nan 0.000 0.429 396 T N 1.432 116.097 114.554 0.185 0.000 2.881 396 T HA 0.236 4.586 4.350 0.000 0.000 0.278 396 T C 1.097 175.786 174.700 -0.017 0.000 0.982 396 T CA -0.621 61.627 62.100 0.247 0.000 0.989 396 T CB 0.956 69.884 68.868 0.100 0.000 1.058 396 T HN 0.564 nan 8.240 nan 0.000 0.529 397 L N 0.765 121.986 121.223 -0.002 0.000 2.013 397 L HA -0.046 4.294 4.340 0.000 0.000 0.212 397 L C 2.664 179.441 176.870 -0.156 0.000 1.073 397 L CA 1.745 56.458 54.840 -0.211 0.000 0.753 397 L CB -0.824 41.229 42.059 -0.010 0.000 0.890 397 L HN 0.581 nan 8.230 nan 0.000 0.432 398 R N -0.824 119.631 120.500 -0.075 0.000 2.120 398 R HA -0.109 4.232 4.340 0.000 0.000 0.234 398 R C 2.135 178.385 176.300 -0.083 0.000 1.123 398 R CA 1.838 57.907 56.100 -0.051 0.000 0.975 398 R CB -0.813 29.479 30.300 -0.013 0.000 0.866 398 R HN 0.486 nan 8.270 nan 0.000 0.446 399 M N -0.369 119.117 119.600 -0.189 0.000 2.123 399 M HA -0.099 4.381 4.480 0.000 0.000 0.263 399 M C 2.094 178.335 176.300 -0.099 0.000 1.069 399 M CA 1.043 56.198 55.300 -0.240 0.000 1.133 399 M CB -0.366 31.929 32.600 -0.508 0.000 1.356 399 M HN 0.012 nan 8.290 nan 0.000 0.415 400 L N 1.485 122.593 121.223 -0.191 0.000 2.046 400 L HA -0.201 4.139 4.340 0.000 0.000 0.208 400 L C 2.420 179.210 176.870 -0.134 0.000 1.077 400 L CA 2.082 56.789 54.840 -0.222 0.000 0.747 400 L CB -0.796 40.960 42.059 -0.506 0.000 0.896 400 L HN 0.452 nan 8.230 nan 0.000 0.432 401 E N -0.838 119.292 120.200 -0.116 0.000 2.265 401 E HA -0.243 4.107 4.350 0.000 0.000 0.196 401 E C 1.842 178.456 176.600 0.023 0.000 0.996 401 E CA 1.090 57.466 56.400 -0.039 0.000 0.832 401 E CB -0.366 29.317 29.700 -0.027 0.000 0.756 401 E HN 0.545 nan 8.360 nan 0.000 0.491 402 R N 0.629 121.158 120.500 0.048 0.000 2.317 402 R HA 0.238 4.578 4.340 0.000 0.000 0.208 402 R C 0.442 176.827 176.300 0.141 0.000 0.914 402 R CA -0.167 55.996 56.100 0.106 0.000 1.060 402 R CB 0.041 30.429 30.300 0.148 0.000 1.015 402 R HN 0.199 nan 8.270 nan 0.000 0.498 403 L N 4.237 125.526 121.223 0.110 0.000 2.540 403 L HA 0.057 4.397 4.340 0.000 0.000 0.276 403 L C -1.963 174.981 176.870 0.124 0.000 1.212 403 L CA -1.374 53.535 54.840 0.115 0.000 0.893 403 L CB -0.065 42.015 42.059 0.035 0.000 1.138 403 L HN -0.215 nan 8.230 nan 0.000 0.491 404 P HA 0.195 nan 4.420 nan 0.000 0.281 404 P C -0.688 176.810 177.300 0.329 0.000 1.252 404 P CA -0.156 63.040 63.100 0.160 0.000 0.778 404 P CB 1.486 33.241 31.700 0.092 0.000 0.895 405 V N 1.081 121.134 119.914 0.232 0.000 3.155 405 V HA 0.590 4.710 4.120 0.000 0.000 0.313 405 V C 0.342 176.455 176.094 0.030 0.000 1.162 405 V CA -1.696 60.734 62.300 0.217 0.000 1.048 405 V CB 1.670 33.642 31.823 0.249 0.000 1.092 405 V HN 0.468 nan 8.190 nan 0.000 0.447 406 R N 1.268 121.727 120.500 -0.069 0.000 2.566 406 R HA 0.079 4.419 4.340 0.000 0.000 0.273 406 R C 0.102 176.391 176.300 -0.019 0.000 0.981 406 R CA -0.005 56.044 56.100 -0.084 0.000 1.091 406 R CB 0.259 30.500 30.300 -0.098 0.000 0.924 406 R HN 0.820 nan 8.270 nan 0.000 0.411 407 R N 2.985 123.473 120.500 -0.019 0.000 2.489 407 R HA 0.029 4.369 4.340 0.000 0.000 0.287 407 R C -0.272 176.034 176.300 0.010 0.000 1.053 407 R CA 0.128 56.227 56.100 -0.000 0.000 1.036 407 R CB 0.482 30.782 30.300 -0.001 0.000 0.966 407 R HN 0.525 nan 8.270 nan 0.000 0.432 408 E N 2.598 122.807 120.200 0.014 0.000 2.183 408 E HA 0.046 4.396 4.350 0.000 0.000 0.271 408 E C -0.936 175.694 176.600 0.051 0.000 0.919 408 E CA -0.924 55.497 56.400 0.034 0.000 0.781 408 E CB 1.556 31.263 29.700 0.012 0.000 1.140 408 E HN 0.436 nan 8.360 nan 0.000 0.402 409 Y N 2.074 122.358 120.300 -0.026 0.000 2.620 409 Y HA 0.185 4.734 4.550 -0.002 0.000 0.330 409 Y C 1.053 176.939 175.900 -0.023 0.000 1.186 409 Y CA 1.489 59.575 58.100 -0.022 0.000 1.467 409 Y CB 0.207 38.655 38.460 -0.021 0.000 1.262 409 Y HN 0.815 nan 8.280 nan 0.000 0.550 410 G N 0.000 108.358 108.800 -0.737 0.000 5.446 410 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 410 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 410 G CA 0.000 44.764 45.100 -0.559 0.000 0.502 410 G HN 0.000 nan 8.290 nan 0.000 0.925