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 2jg3_1_A DATA FIRST_RESID 23 DATA SEQUENCE TPPEVVDFMV SLAEAPRGGR VLEPACAHGP FLRAFREAHG TAYRFVGVEI DATA SEQUENCE DPKALDLPPW AEGILADFLL WEPGEAFDLI LGNPPYGIVG EASKYPIHVF DATA SEQUENCE KAVKDLYKKA FSTWKGKYNL YGAFLEKAVR LLKPGGVLVF VVPATWLVLE DATA SEQUENCE DFALLREFLA REGKTSVYYL GEVFPQKKVS AVVIRFQKSG KGLSLWDTQE DATA SEQUENCE SESGFTPILW AEYPHWEGEI IRFETEETRK LEISGMPLGD LFHIRFAARS DATA SEQUENCE PEFKKHPAVR KEPGPGLVPV LTGRNLKPGW VDYEKNHSGL WMPKERAKEL DATA SEQUENCE RDFYATPHLV VAHTKGTRVV AAWDERAYPW REEFHLLPKE GVRLDPSSLV DATA SEQUENCE QWLNSEAMQK HVRTLYRDFV PHLTLRMLER LPVRREYGFH TS 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 23 T HA 0.000 nan 4.350 nan 0.000 0.228 23 T C 0.000 174.727 174.700 0.045 0.000 1.109 23 T CA 0.000 62.224 62.100 0.206 0.000 1.349 23 T CB 0.000 68.997 68.868 0.216 0.000 0.612 24 P HA 0.201 nan 4.420 nan 0.000 0.268 24 P C -1.664 175.612 177.300 -0.040 0.000 1.205 24 P CA -1.247 61.833 63.100 -0.032 0.000 0.771 24 P CB 0.201 31.858 31.700 -0.073 0.000 0.858 25 P HA -0.206 nan 4.420 nan 0.000 0.216 25 P C 1.092 178.387 177.300 -0.009 0.000 1.150 25 P CA 1.553 64.624 63.100 -0.049 0.000 0.837 25 P CB 0.058 31.734 31.700 -0.040 0.000 0.786 26 E N 0.174 120.396 120.200 0.036 0.000 2.150 26 E HA -0.078 4.287 4.350 0.025 0.000 0.193 26 E C 2.077 178.838 176.600 0.268 0.000 0.985 26 E CA 0.945 57.419 56.400 0.123 0.000 0.814 26 E CB -1.557 28.184 29.700 0.068 0.000 0.752 26 E HN 0.137 nan 8.360 nan 0.000 0.466 27 V N 1.671 121.689 119.914 0.172 0.000 2.379 27 V HA -0.186 3.949 4.120 0.025 0.000 0.245 27 V C 2.688 178.851 176.094 0.115 0.000 1.044 27 V CA 1.284 63.633 62.300 0.081 0.000 1.036 27 V CB -0.340 31.427 31.823 -0.094 0.000 0.664 27 V HN 0.079 nan 8.190 nan 0.000 0.453 28 V N 0.344 120.259 119.914 0.002 0.000 2.255 28 V HA -0.284 3.852 4.120 0.025 0.000 0.247 28 V C 2.327 178.424 176.094 0.005 0.000 1.051 28 V CA 2.311 64.541 62.300 -0.118 0.000 1.018 28 V CB -0.762 30.798 31.823 -0.440 0.000 0.641 28 V HN 0.532 nan 8.190 nan 0.000 0.445 29 D N -0.480 119.934 120.400 0.023 0.000 2.104 29 D HA -0.198 4.458 4.640 0.025 0.000 0.194 29 D C 1.877 178.241 176.300 0.107 0.000 0.994 29 D CA 1.417 55.444 54.000 0.046 0.000 0.830 29 D CB -0.406 40.422 40.800 0.047 0.000 0.959 29 D HN 0.434 nan 8.370 nan 0.000 0.452 30 F N 1.062 121.028 119.950 0.027 0.000 2.095 30 F HA -0.185 4.357 4.527 0.024 0.000 0.298 30 F C 2.362 178.125 175.800 -0.061 0.000 1.104 30 F CA 1.391 59.384 58.000 -0.011 0.000 1.232 30 F CB -0.385 38.614 39.000 -0.002 0.000 0.987 30 F HN -0.130 nan 8.300 nan 0.000 0.475 31 M N -0.695 118.827 119.600 -0.129 0.000 2.117 31 M HA -0.211 4.284 4.480 0.025 0.000 0.262 31 M C 2.035 178.293 176.300 -0.070 0.000 1.065 31 M CA 1.568 56.773 55.300 -0.158 0.000 1.114 31 M CB -0.648 32.047 32.600 0.158 0.000 1.361 31 M HN 0.038 nan 8.290 nan 0.000 0.408 32 V N 0.187 120.127 119.914 0.044 0.000 2.427 32 V HA -0.231 3.904 4.120 0.025 0.000 0.248 32 V C 2.532 178.643 176.094 0.028 0.000 1.051 32 V CA 2.059 64.422 62.300 0.105 0.000 1.048 32 V CB -0.919 30.946 31.823 0.069 0.000 0.666 32 V HN 0.645 nan 8.190 nan 0.000 0.456 33 S N -0.065 115.586 115.700 -0.081 0.000 2.442 33 S HA -0.095 4.391 4.470 0.025 0.000 0.236 33 S C 1.740 176.253 174.600 -0.146 0.000 1.007 33 S CA 1.387 59.530 58.200 -0.095 0.000 0.965 33 S CB -0.476 62.660 63.200 -0.106 0.000 0.773 33 S HN 0.580 nan 8.310 nan 0.000 0.504 34 L N 0.700 121.766 121.223 -0.260 0.000 2.529 34 L HA 0.403 4.758 4.340 0.025 0.000 0.223 34 L C 1.324 178.148 176.870 -0.077 0.000 1.113 34 L CA 0.098 54.773 54.840 -0.276 0.000 0.861 34 L CB -0.411 41.333 42.059 -0.525 0.000 1.012 34 L HN 0.351 nan 8.230 nan 0.000 0.461 35 A N 0.733 123.588 122.820 0.058 0.000 2.316 35 A HA 0.547 4.883 4.320 0.025 0.000 0.284 35 A C -0.306 177.422 177.584 0.240 0.000 1.115 35 A CA -0.063 52.080 52.037 0.176 0.000 0.812 35 A CB 0.517 19.704 19.000 0.312 0.000 1.064 35 A HN 0.249 nan 8.150 nan 0.000 0.489 36 E N -0.506 119.787 120.200 0.154 0.000 2.331 36 E HA 0.637 5.002 4.350 0.025 0.000 0.275 36 E C -0.984 175.677 176.600 0.101 0.000 0.895 36 E CA -0.576 55.881 56.400 0.096 0.000 0.753 36 E CB 2.391 32.109 29.700 0.029 0.000 1.216 36 E HN 0.978 nan 8.360 nan 0.000 0.434 37 A N 2.556 125.470 122.820 0.157 0.000 2.549 37 A HA 0.706 5.041 4.320 0.025 0.000 0.297 37 A C -2.662 175.077 177.584 0.257 0.000 1.061 37 A CA -1.348 50.791 52.037 0.169 0.000 0.690 37 A CB 0.992 20.053 19.000 0.102 0.000 1.287 37 A HN 0.419 nan 8.150 nan 0.000 0.402 38 P HA 0.192 nan 4.420 nan 0.000 0.269 38 P C -0.218 177.159 177.300 0.129 0.000 1.215 38 P CA -0.365 62.807 63.100 0.120 0.000 0.780 38 P CB 0.422 32.159 31.700 0.061 0.000 0.898 39 R N 1.013 121.508 120.500 -0.008 0.000 2.504 39 R HA 0.211 4.566 4.340 0.025 0.000 0.291 39 R C 1.196 177.412 176.300 -0.140 0.000 0.974 39 R CA 1.357 57.347 56.100 -0.183 0.000 1.077 39 R CB -1.034 29.177 30.300 -0.149 0.000 0.926 39 R HN 0.853 nan 8.270 nan 0.000 0.407 40 G N 2.438 111.103 108.800 -0.224 0.000 2.157 40 G HA2 -0.245 3.730 3.960 0.025 0.000 0.248 40 G HA3 -0.245 3.730 3.960 0.025 0.000 0.248 40 G C 0.352 175.251 174.900 -0.002 0.000 0.979 40 G CA -0.131 44.909 45.100 -0.100 0.000 0.650 40 G HN 0.990 nan 8.290 nan 0.000 0.529 41 G N -0.384 108.473 108.800 0.096 0.000 2.527 41 G HA2 0.511 4.486 3.960 0.025 0.000 0.248 41 G HA3 0.511 4.486 3.960 0.025 0.000 0.248 41 G C 0.225 175.183 174.900 0.097 0.000 1.231 41 G CA -0.563 44.607 45.100 0.118 0.000 0.838 41 G HN 0.547 nan 8.290 nan 0.000 0.570 42 R N 0.178 120.714 120.500 0.060 0.000 2.248 42 R HA 0.342 4.697 4.340 0.025 0.000 0.328 42 R C -0.686 175.755 176.300 0.234 0.000 1.067 42 R CA -0.385 55.785 56.100 0.116 0.000 0.924 42 R CB 1.344 31.608 30.300 -0.060 0.000 1.013 42 R HN 0.213 nan 8.270 nan 0.000 0.454 43 V N 5.479 125.462 119.914 0.114 0.000 2.384 43 V HA 0.311 4.446 4.120 0.025 0.000 0.287 43 V C -0.647 175.504 176.094 0.095 0.000 1.020 43 V CA -0.837 61.441 62.300 -0.036 0.000 0.850 43 V CB 1.440 33.018 31.823 -0.409 0.000 0.987 43 V HN 0.486 nan 8.190 nan 0.000 0.436 44 L N 4.300 125.499 121.223 -0.041 0.000 2.341 44 L HA 0.625 4.980 4.340 0.025 0.000 0.278 44 L C -0.284 176.505 176.870 -0.136 0.000 1.005 44 L CA -0.028 54.694 54.840 -0.197 0.000 0.818 44 L CB 1.801 43.424 42.059 -0.726 0.000 1.259 44 L HN 0.774 nan 8.230 nan 0.000 0.418 45 E N 6.595 126.730 120.200 -0.108 0.000 2.102 45 E HA 0.463 4.828 4.350 0.025 0.000 0.263 45 E C -2.535 173.906 176.600 -0.265 0.000 0.894 45 E CA -2.201 54.111 56.400 -0.147 0.000 0.746 45 E CB 1.265 30.940 29.700 -0.041 0.000 1.129 45 E HN 0.418 nan 8.360 nan 0.000 0.416 46 P HA 0.132 nan 4.420 nan 0.000 0.277 46 P C -0.763 176.316 177.300 -0.369 0.000 1.240 46 P CA 0.037 62.757 63.100 -0.634 0.000 0.798 46 P CB 1.153 32.007 31.700 -1.411 0.000 0.979 47 A N 1.219 123.911 122.820 -0.214 0.000 2.610 47 A HA -0.238 4.098 4.320 0.025 0.000 0.299 47 A C 1.371 178.851 177.584 -0.174 0.000 1.487 47 A CA 0.980 52.931 52.037 -0.143 0.000 0.743 47 A CB -2.404 16.470 19.000 -0.211 0.000 1.070 47 A HN 0.789 nan 8.150 nan 0.000 0.439 48 C N -2.605 116.601 119.300 -0.157 0.000 2.485 48 C HA 0.477 4.952 4.460 0.025 0.000 0.277 48 C C 2.350 177.255 174.990 -0.141 0.000 1.376 48 C CA 0.725 59.658 59.018 -0.141 0.000 1.759 48 C CB -1.239 26.423 27.740 -0.130 0.000 1.970 48 C HN 2.650 nan 8.230 nan 0.000 0.509 49 A N 2.457 125.217 122.820 -0.100 0.000 5.251 49 A HA -0.411 3.924 4.320 0.025 0.000 0.334 49 A C 1.386 178.948 177.584 -0.037 0.000 1.764 49 A CA 2.673 54.683 52.037 -0.044 0.000 0.708 49 A CB -2.471 16.537 19.000 0.014 0.000 1.420 49 A HN 1.379 nan 8.150 nan 0.000 0.394 50 H N 0.153 119.190 119.070 -0.055 0.000 2.547 50 H HA 0.456 5.027 4.556 0.025 0.000 0.266 50 H C 1.265 176.554 175.328 -0.065 0.000 0.988 50 H CA 1.040 57.049 56.048 -0.066 0.000 1.147 50 H CB -0.512 29.215 29.762 -0.059 0.000 1.365 50 H HN 2.380 nan 8.280 nan 0.000 0.589 51 G N 1.529 110.093 108.800 -0.395 0.000 2.291 51 G HA2 -0.222 3.753 3.960 0.025 0.000 0.271 51 G HA3 -0.222 3.753 3.960 0.025 0.000 0.271 51 G C -1.239 173.542 174.900 -0.198 0.000 1.099 51 G CA 0.057 45.024 45.100 -0.221 0.000 0.919 51 G HN 0.484 nan 8.290 nan 0.000 0.496 52 P HA -0.105 nan 4.420 nan 0.000 0.217 52 P C 1.595 178.779 177.300 -0.194 0.000 1.150 52 P CA 0.964 63.909 63.100 -0.258 0.000 0.832 52 P CB -0.038 31.455 31.700 -0.345 0.000 0.787 53 F N -0.187 119.734 119.950 -0.050 0.000 2.163 53 F HA -0.048 4.494 4.527 0.025 0.000 0.297 53 F C 2.663 178.524 175.800 0.102 0.000 1.094 53 F CA 0.954 58.968 58.000 0.025 0.000 1.290 53 F CB -1.341 37.660 39.000 0.003 0.000 1.017 53 F HN -0.275 nan 8.300 nan 0.000 0.483 54 L N -0.291 121.102 121.223 0.282 0.000 2.042 54 L HA -0.252 4.103 4.340 0.025 0.000 0.210 54 L C 2.549 179.558 176.870 0.230 0.000 1.076 54 L CA 1.517 56.537 54.840 0.300 0.000 0.749 54 L CB -0.676 41.566 42.059 0.305 0.000 0.893 54 L HN 0.077 nan 8.230 nan 0.000 0.432 55 R N -0.138 120.502 120.500 0.233 0.000 2.073 55 R HA -0.125 4.230 4.340 0.025 0.000 0.234 55 R C 2.465 178.790 176.300 0.041 0.000 1.134 55 R CA 1.403 57.622 56.100 0.199 0.000 0.952 55 R CB -0.527 29.874 30.300 0.168 0.000 0.850 55 R HN 0.362 nan 8.270 nan 0.000 0.433 56 A N 0.512 123.350 122.820 0.030 0.000 1.930 56 A HA -0.169 4.167 4.320 0.025 0.000 0.217 56 A C 1.973 179.550 177.584 -0.012 0.000 1.175 56 A CA 0.999 53.023 52.037 -0.022 0.000 0.627 56 A CB -0.578 18.382 19.000 -0.066 0.000 0.815 56 A HN 0.354 nan 8.150 nan 0.000 0.443 57 F N 0.334 120.262 119.950 -0.038 0.000 2.113 57 F HA -0.119 4.423 4.527 0.026 0.000 0.297 57 F C 2.391 178.168 175.800 -0.039 0.000 1.103 57 F CA 1.982 59.969 58.000 -0.022 0.000 1.248 57 F CB -0.184 38.900 39.000 0.139 0.000 0.999 57 F HN 0.176 nan 8.300 nan 0.000 0.475 58 R N 0.340 120.867 120.500 0.045 0.000 2.081 58 R HA -0.169 4.186 4.340 0.025 0.000 0.235 58 R C 2.228 178.410 176.300 -0.196 0.000 1.131 58 R CA 1.721 57.724 56.100 -0.161 0.000 0.960 58 R CB -0.324 29.500 30.300 -0.793 0.000 0.856 58 R HN 0.231 nan 8.270 nan 0.000 0.436 59 E N 0.057 120.141 120.200 -0.193 0.000 2.085 59 E HA -0.201 4.164 4.350 0.025 0.000 0.194 59 E C 1.753 178.240 176.600 -0.189 0.000 0.994 59 E CA 1.571 57.876 56.400 -0.159 0.000 0.801 59 E CB -0.159 29.470 29.700 -0.118 0.000 0.743 59 E HN 0.487 nan 8.360 nan 0.000 0.453 60 A N -0.290 122.344 122.820 -0.311 0.000 1.975 60 A HA -0.067 4.268 4.320 0.025 0.000 0.215 60 A C 1.417 178.743 177.584 -0.430 0.000 1.170 60 A CA 1.036 52.808 52.037 -0.441 0.000 0.656 60 A CB -0.310 18.285 19.000 -0.676 0.000 0.821 60 A HN 0.290 nan 8.150 nan 0.000 0.449 61 H N -2.066 116.812 119.070 -0.320 0.000 2.893 61 H HA 0.423 4.994 4.556 0.025 0.000 0.270 61 H C 1.029 176.386 175.328 0.048 0.000 1.095 61 H CA -0.096 55.806 56.048 -0.243 0.000 1.186 61 H CB 0.769 30.132 29.762 -0.665 0.000 1.562 61 H HN 0.729 nan 8.280 nan 0.000 0.536 62 G N 0.602 109.482 108.800 0.133 0.000 2.610 62 G HA2 -0.301 3.675 3.960 0.025 0.000 0.304 62 G HA3 -0.301 3.675 3.960 0.025 0.000 0.304 62 G C 0.835 175.907 174.900 0.287 0.000 1.309 62 G CA -0.008 45.179 45.100 0.145 0.000 0.906 62 G HN 0.313 nan 8.290 nan 0.000 0.521 63 T N -2.596 112.054 114.554 0.161 0.000 3.001 63 T HA 0.580 4.945 4.350 0.025 0.000 0.251 63 T C 1.548 176.362 174.700 0.189 0.000 1.040 63 T CA 1.409 63.630 62.100 0.200 0.000 0.985 63 T CB 0.465 69.350 68.868 0.027 0.000 1.011 63 T HN 2.152 nan 8.240 nan 0.000 0.509 64 A N 1.289 124.067 122.820 -0.069 0.000 3.077 64 A HA 0.588 4.923 4.320 0.025 0.000 0.255 64 A C -0.916 176.290 177.584 -0.630 0.000 1.728 64 A CA -0.484 51.391 52.037 -0.270 0.000 1.383 64 A CB -1.187 17.640 19.000 -0.288 0.000 1.097 64 A HN 0.622 nan 8.150 nan 0.000 0.634 65 Y N -1.726 118.548 120.300 -0.043 0.000 2.597 65 Y HA 0.550 5.116 4.550 0.026 0.000 0.340 65 Y C 0.138 175.855 175.900 -0.305 0.000 1.097 65 Y CA -1.186 56.752 58.100 -0.271 0.000 1.037 65 Y CB 1.526 39.618 38.460 -0.612 0.000 1.305 65 Y HN 0.378 nan 8.280 nan 0.000 0.463 66 R N 1.651 122.105 120.500 -0.076 0.000 2.235 66 R HA 0.465 4.820 4.340 0.025 0.000 0.338 66 R C -1.963 174.345 176.300 0.014 0.000 1.087 66 R CA -0.159 55.960 56.100 0.031 0.000 0.948 66 R CB -0.271 30.073 30.300 0.073 0.000 1.099 66 R HN 0.455 nan 8.270 nan 0.000 0.483 67 F N 4.077 124.228 119.950 0.336 0.000 2.424 67 F HA 0.338 4.880 4.527 0.025 0.000 0.356 67 F C -0.024 175.944 175.800 0.280 0.000 1.110 67 F CA -0.472 57.733 58.000 0.342 0.000 1.161 67 F CB 1.364 40.677 39.000 0.520 0.000 1.115 67 F HN 0.075 nan 8.300 nan 0.000 0.507 68 V N 2.281 122.430 119.914 0.392 0.000 2.656 68 V HA 0.835 4.971 4.120 0.025 0.000 0.307 68 V C 0.029 176.186 176.094 0.105 0.000 1.051 68 V CA -0.903 61.554 62.300 0.261 0.000 0.893 68 V CB 1.842 33.888 31.823 0.372 0.000 0.999 68 V HN 0.879 nan 8.190 nan 0.000 0.426 69 G N 2.300 111.107 108.800 0.011 0.000 2.566 69 G HA2 0.657 4.632 3.960 0.025 0.000 0.311 69 G HA3 0.657 4.632 3.960 0.025 0.000 0.311 69 G C -1.475 173.308 174.900 -0.196 0.000 1.322 69 G CA -0.552 44.494 45.100 -0.091 0.000 0.969 69 G HN 0.545 nan 8.290 nan 0.000 0.490 70 V N 1.487 121.229 119.914 -0.288 0.000 2.495 70 V HA 0.684 4.819 4.120 0.025 0.000 0.298 70 V C -0.529 175.435 176.094 -0.217 0.000 1.031 70 V CA -0.639 61.440 62.300 -0.367 0.000 0.871 70 V CB 1.587 33.032 31.823 -0.630 0.000 0.988 70 V HN 0.871 nan 8.190 nan 0.000 0.432 71 E N 3.180 123.285 120.200 -0.158 0.000 2.304 71 E HA 0.423 4.789 4.350 0.025 0.000 0.277 71 E C -0.170 176.407 176.600 -0.039 0.000 0.898 71 E CA -0.512 55.840 56.400 -0.081 0.000 0.764 71 E CB 1.973 31.626 29.700 -0.078 0.000 1.216 71 E HN 0.497 nan 8.360 nan 0.000 0.419 72 I N 1.781 122.355 120.570 0.006 0.000 2.716 72 I HA 0.084 4.269 4.170 0.025 0.000 0.259 72 I C 0.005 176.133 176.117 0.018 0.000 1.172 72 I CA 0.516 61.835 61.300 0.032 0.000 1.478 72 I CB 0.486 38.534 38.000 0.079 0.000 1.104 72 I HN 0.471 nan 8.210 nan 0.000 0.439 73 D N 0.477 120.879 120.400 0.004 0.000 2.317 73 D HA 0.173 4.828 4.640 0.025 0.000 0.234 73 D C -1.782 174.514 176.300 -0.006 0.000 1.112 73 D CA -2.539 51.461 54.000 0.000 0.000 0.840 73 D CB 1.691 42.488 40.800 -0.005 0.000 1.078 73 D HN -0.049 nan 8.370 nan 0.000 0.486 74 P HA -0.125 nan 4.420 nan 0.000 0.216 74 P C 0.850 178.145 177.300 -0.007 0.000 1.150 74 P CA 1.288 64.385 63.100 -0.004 0.000 0.837 74 P CB 0.292 31.993 31.700 0.003 0.000 0.786 75 K N -0.839 119.557 120.400 -0.006 0.000 2.283 75 K HA 0.002 4.337 4.320 0.025 0.000 0.202 75 K C 1.944 178.538 176.600 -0.010 0.000 1.048 75 K CA 1.316 57.599 56.287 -0.008 0.000 0.948 75 K CB -0.311 32.184 32.500 -0.007 0.000 0.742 75 K HN 0.102 nan 8.250 nan 0.000 0.458 76 A N 0.868 123.682 122.820 -0.010 0.000 2.014 76 A HA 0.060 4.395 4.320 0.025 0.000 0.210 76 A C 0.766 178.347 177.584 -0.004 0.000 1.188 76 A CA -0.176 51.858 52.037 -0.005 0.000 0.731 76 A CB 0.069 19.062 19.000 -0.011 0.000 0.858 76 A HN 0.184 nan 8.150 nan 0.000 0.464 77 L N 1.373 122.585 121.223 -0.019 0.000 2.433 77 L HA 0.366 4.721 4.340 0.025 0.000 0.275 77 L C -0.956 175.897 176.870 -0.029 0.000 1.128 77 L CA 0.438 55.258 54.840 -0.032 0.000 0.875 77 L CB 0.176 42.211 42.059 -0.041 0.000 1.171 77 L HN 0.183 nan 8.230 nan 0.000 0.463 78 D N 4.704 125.087 120.400 -0.028 0.000 2.978 78 D HA 0.240 4.896 4.640 0.025 0.000 0.268 78 D C -0.968 175.292 176.300 -0.067 0.000 1.252 78 D CA -0.217 53.763 54.000 -0.033 0.000 0.771 78 D CB 0.082 40.880 40.800 -0.003 0.000 1.361 78 D HN 0.427 nan 8.370 nan 0.000 0.558 79 L N 1.309 122.456 121.223 -0.126 0.000 2.379 79 L HA 0.586 4.941 4.340 0.025 0.000 0.269 79 L C -1.616 175.059 176.870 -0.325 0.000 1.084 79 L CA -1.717 52.980 54.840 -0.238 0.000 0.802 79 L CB 0.614 42.527 42.059 -0.244 0.000 1.175 79 L HN 0.117 nan 8.230 nan 0.000 0.448 80 P HA 0.127 nan 4.420 nan 0.000 0.272 80 P C -2.145 174.783 177.300 -0.621 0.000 1.230 80 P CA -1.148 61.554 63.100 -0.664 0.000 0.788 80 P CB -0.045 30.954 31.700 -1.168 0.000 0.949 81 P HA -0.086 nan 4.420 nan 0.000 0.234 81 P C 1.003 178.295 177.300 -0.014 0.000 1.167 81 P CA 1.041 64.060 63.100 -0.134 0.000 0.763 81 P CB -0.300 31.382 31.700 -0.030 0.000 0.835 82 W N -0.276 121.062 121.300 0.062 0.000 2.800 82 W HA 0.449 5.124 4.660 0.025 0.000 0.249 82 W C -0.038 176.576 176.519 0.159 0.000 1.294 82 W CA -0.242 57.165 57.345 0.103 0.000 1.402 82 W CB -0.653 28.858 29.460 0.086 0.000 1.126 82 W HN -0.119 nan 8.180 nan 0.000 0.652 83 A N 1.519 124.356 122.820 0.029 0.000 2.320 83 A HA 0.386 4.721 4.320 0.025 0.000 0.334 83 A C -0.588 177.044 177.584 0.080 0.000 1.147 83 A CA -0.645 51.476 52.037 0.139 0.000 0.820 83 A CB 1.287 20.202 19.000 -0.142 0.000 1.218 83 A HN 0.200 nan 8.150 nan 0.000 0.482 84 E N 1.119 121.413 120.200 0.157 0.000 2.167 84 E HA 0.449 4.814 4.350 0.025 0.000 0.284 84 E C -0.002 176.633 176.600 0.059 0.000 1.016 84 E CA -0.298 56.169 56.400 0.112 0.000 0.817 84 E CB 1.087 30.887 29.700 0.166 0.000 1.080 84 E HN 0.756 nan 8.360 nan 0.000 0.397 85 G N 4.404 113.211 108.800 0.012 0.000 2.356 85 G HA2 0.544 4.519 3.960 0.025 0.000 0.322 85 G HA3 0.544 4.519 3.960 0.025 0.000 0.322 85 G C -0.605 174.281 174.900 -0.023 0.000 1.125 85 G CA -0.495 44.587 45.100 -0.029 0.000 0.885 85 G HN 0.510 nan 8.290 nan 0.000 0.467 86 I N 1.595 122.116 120.570 -0.082 0.000 2.466 86 I HA 0.261 4.446 4.170 0.025 0.000 0.289 86 I C -0.356 175.683 176.117 -0.130 0.000 1.026 86 I CA -0.577 60.666 61.300 -0.095 0.000 1.078 86 I CB 2.373 40.264 38.000 -0.181 0.000 1.249 86 I HN 0.161 nan 8.210 nan 0.000 0.429 87 L N 6.684 127.872 121.223 -0.059 0.000 2.268 87 L HA 0.752 5.107 4.340 0.025 0.000 0.289 87 L C 0.059 176.915 176.870 -0.024 0.000 1.064 87 L CA -0.000 54.816 54.840 -0.040 0.000 0.824 87 L CB 0.622 42.678 42.059 -0.004 0.000 1.202 87 L HN 0.767 nan 8.230 nan 0.000 0.433 88 A N 2.447 125.242 122.820 -0.042 0.000 2.599 88 A HA 0.339 4.675 4.320 0.025 0.000 0.294 88 A C -1.482 176.136 177.584 0.057 0.000 1.055 88 A CA -0.745 51.298 52.037 0.011 0.000 0.683 88 A CB 1.372 20.346 19.000 -0.044 0.000 1.278 88 A HN 0.511 nan 8.150 nan 0.000 0.412 89 D N 1.205 121.684 120.400 0.133 0.000 2.346 89 D HA 0.139 4.794 4.640 0.025 0.000 0.260 89 D C 0.850 177.273 176.300 0.205 0.000 1.252 89 D CA -0.167 53.949 54.000 0.193 0.000 0.895 89 D CB 0.089 41.030 40.800 0.235 0.000 1.097 89 D HN 0.428 nan 8.370 nan 0.000 0.489 90 F N 4.429 124.384 119.950 0.008 0.000 2.154 90 F HA -0.187 4.354 4.527 0.024 0.000 0.301 90 F C 1.648 177.434 175.800 -0.023 0.000 1.087 90 F CA 1.316 59.275 58.000 -0.067 0.000 1.274 90 F CB -0.022 38.804 39.000 -0.291 0.000 1.009 90 F HN 0.467 nan 8.300 nan 0.000 0.485 91 L N -0.323 120.815 121.223 -0.143 0.000 2.362 91 L HA -0.130 4.225 4.340 0.025 0.000 0.219 91 L C 1.428 178.351 176.870 0.088 0.000 1.134 91 L CA 0.749 55.539 54.840 -0.083 0.000 0.807 91 L CB -0.412 41.579 42.059 -0.113 0.000 0.927 91 L HN 0.244 nan 8.230 nan 0.000 0.447 92 L N -2.597 118.695 121.223 0.116 0.000 3.016 92 L HA 0.152 4.507 4.340 0.025 0.000 0.267 92 L C -0.006 176.931 176.870 0.112 0.000 1.182 92 L CA -0.570 54.330 54.840 0.100 0.000 0.997 92 L CB 0.228 42.383 42.059 0.160 0.000 1.354 92 L HN 0.182 nan 8.230 nan 0.000 0.569 93 W N 2.965 124.207 121.300 -0.096 0.000 2.304 93 W HA 0.199 4.874 4.660 0.024 0.000 0.313 93 W C 0.142 176.620 176.519 -0.068 0.000 1.323 93 W CA -0.024 57.287 57.345 -0.058 0.000 1.223 93 W CB 0.686 30.126 29.460 -0.035 0.000 1.237 93 W HN -0.088 nan 8.180 nan 0.000 0.535 94 E N 8.181 128.160 120.200 -0.368 0.000 2.256 94 E HA 0.226 4.591 4.350 0.025 0.000 0.243 94 E C -2.002 174.209 176.600 -0.648 0.000 0.925 94 E CA -1.664 54.460 56.400 -0.460 0.000 0.748 94 E CB 0.539 30.107 29.700 -0.221 0.000 1.206 94 E HN 0.372 nan 8.360 nan 0.000 0.428 95 P HA 0.156 nan 4.420 nan 0.000 0.274 95 P C 0.976 178.074 177.300 -0.337 0.000 1.246 95 P CA -0.323 62.324 63.100 -0.754 0.000 0.795 95 P CB 1.102 32.230 31.700 -0.953 0.000 1.006 96 G N 0.108 108.796 108.800 -0.186 0.000 2.408 96 G HA2 -0.110 3.865 3.960 0.025 0.000 0.217 96 G HA3 -0.110 3.865 3.960 0.025 0.000 0.217 96 G C 0.498 175.313 174.900 -0.142 0.000 1.150 96 G CA 0.539 45.563 45.100 -0.127 0.000 0.776 96 G HN 0.677 nan 8.290 nan 0.000 0.542 97 E N -0.899 119.188 120.200 -0.188 0.000 2.369 97 E HA 0.617 4.982 4.350 0.025 0.000 0.270 97 E C -0.472 175.936 176.600 -0.320 0.000 0.909 97 E CA -0.918 55.347 56.400 -0.224 0.000 0.775 97 E CB 2.050 31.610 29.700 -0.233 0.000 1.270 97 E HN 0.146 nan 8.360 nan 0.000 0.445 98 A N 1.777 124.453 122.820 -0.239 0.000 2.259 98 A HA 0.577 4.913 4.320 0.025 0.000 0.278 98 A C -1.012 176.372 177.584 -0.332 0.000 1.107 98 A CA -0.164 51.787 52.037 -0.143 0.000 0.828 98 A CB 0.234 19.224 19.000 -0.017 0.000 1.111 98 A HN 0.468 nan 8.150 nan 0.000 0.498 99 F N -0.939 119.042 119.950 0.051 0.000 2.522 99 F HA 0.328 4.870 4.527 0.026 0.000 0.324 99 F C 0.966 176.788 175.800 0.038 0.000 1.077 99 F CA -0.485 57.551 58.000 0.060 0.000 0.944 99 F CB 2.097 41.160 39.000 0.104 0.000 1.175 99 F HN 0.674 nan 8.300 nan 0.000 0.468 100 D N 0.922 121.433 120.400 0.185 0.000 2.240 100 D HA 0.041 4.696 4.640 0.025 0.000 0.206 100 D C -0.190 176.159 176.300 0.081 0.000 0.963 100 D CA 1.181 55.243 54.000 0.103 0.000 0.863 100 D CB 0.690 41.532 40.800 0.070 0.000 0.973 100 D HN 0.140 nan 8.370 nan 0.000 0.501 101 L N 0.874 122.142 121.223 0.075 0.000 2.470 101 L HA 0.422 4.777 4.340 0.025 0.000 0.268 101 L C -1.695 175.160 176.870 -0.026 0.000 0.964 101 L CA -0.491 54.332 54.840 -0.028 0.000 0.839 101 L CB 2.171 44.113 42.059 -0.196 0.000 1.276 101 L HN -0.214 nan 8.230 nan 0.000 0.403 102 I N 6.478 127.023 120.570 -0.043 0.000 2.447 102 I HA 0.526 4.712 4.170 0.025 0.000 0.287 102 I C -1.268 174.823 176.117 -0.044 0.000 1.023 102 I CA -0.781 60.487 61.300 -0.054 0.000 1.083 102 I CB 1.682 39.663 38.000 -0.031 0.000 1.245 102 I HN 0.433 nan 8.210 nan 0.000 0.434 103 L N 4.324 125.541 121.223 -0.010 0.000 2.393 103 L HA 1.130 5.485 4.340 0.025 0.000 0.260 103 L C -0.007 176.691 176.870 -0.286 0.000 1.002 103 L CA -0.832 53.989 54.840 -0.032 0.000 0.818 103 L CB 0.983 42.996 42.059 -0.077 0.000 1.369 103 L HN 0.767 nan 8.230 nan 0.000 0.412 104 G N 0.713 109.119 108.800 -0.657 0.000 2.332 104 G HA2 0.151 4.126 3.960 0.025 0.000 0.265 104 G HA3 0.151 4.126 3.960 0.025 0.000 0.265 104 G C -1.831 172.446 174.900 -1.040 0.000 1.329 104 G CA -0.465 43.731 45.100 -1.507 0.000 0.949 104 G HN 0.842 nan 8.290 nan 0.000 0.476 105 N N 2.075 120.318 118.700 -0.760 0.000 2.682 105 N HA 0.498 5.253 4.740 0.025 0.000 0.252 105 N C -2.469 172.670 175.510 -0.618 0.000 1.081 105 N CA -1.315 51.468 53.050 -0.444 0.000 0.844 105 N CB 1.838 40.282 38.487 -0.072 0.000 1.167 105 N HN 0.380 nan 8.380 nan 0.000 0.523 106 P HA 0.211 nan 4.420 nan 0.000 0.270 106 P C -2.718 174.071 177.300 -0.852 0.000 1.223 106 P CA -0.845 61.688 63.100 -0.946 0.000 0.785 106 P CB -0.282 30.963 31.700 -0.760 0.000 0.923 107 P HA 0.085 nan 4.420 nan 0.000 0.271 107 P C -1.066 176.030 177.300 -0.339 0.000 1.216 107 P CA 0.432 63.117 63.100 -0.691 0.000 0.776 107 P CB 0.120 31.486 31.700 -0.556 0.000 0.881 108 Y N 0.746 120.891 120.300 -0.259 0.000 2.377 108 Y HA 0.725 5.290 4.550 0.026 0.000 0.339 108 Y C 1.101 176.962 175.900 -0.066 0.000 1.011 108 Y CA -1.152 56.883 58.100 -0.109 0.000 1.093 108 Y CB 1.740 40.112 38.460 -0.145 0.000 1.201 108 Y HN 0.752 nan 8.280 nan 0.000 0.455 109 G N 2.094 110.993 108.800 0.166 0.000 2.351 109 G HA2 0.250 4.225 3.960 0.025 0.000 0.296 109 G HA3 0.250 4.225 3.960 0.025 0.000 0.296 109 G C -1.645 173.286 174.900 0.052 0.000 1.685 109 G CA -1.149 44.006 45.100 0.093 0.000 0.936 109 G HN 0.536 nan 8.290 nan 0.000 0.714 110 I N 1.216 121.821 120.570 0.058 0.000 2.496 110 I HA 0.204 4.389 4.170 0.025 0.000 0.285 110 I C 0.780 176.919 176.117 0.036 0.000 1.080 110 I CA -0.543 60.747 61.300 -0.016 0.000 1.404 110 I CB 1.408 39.350 38.000 -0.096 0.000 1.403 110 I HN 0.227 nan 8.210 nan 0.000 0.539 111 V N 6.666 126.628 119.914 0.079 0.000 2.427 111 V HA 0.632 4.767 4.120 0.025 0.000 0.268 111 V C 0.697 176.852 176.094 0.101 0.000 1.046 111 V CA 0.167 62.568 62.300 0.168 0.000 0.970 111 V CB 0.074 32.114 31.823 0.360 0.000 1.001 111 V HN 1.027 nan 8.190 nan 0.000 0.476 112 G N 3.590 112.500 108.800 0.183 0.000 2.430 112 G HA2 0.391 4.366 3.960 0.025 0.000 0.300 112 G HA3 0.391 4.366 3.960 0.025 0.000 0.300 112 G C -0.913 174.222 174.900 0.392 0.000 1.330 112 G CA -0.775 44.467 45.100 0.237 0.000 0.813 112 G HN 0.643 nan 8.290 nan 0.000 0.487 113 E N 0.120 120.537 120.200 0.362 0.000 2.529 113 E HA 0.288 4.654 4.350 0.025 0.000 0.259 113 E C 1.622 178.357 176.600 0.226 0.000 0.966 113 E CA 0.508 57.053 56.400 0.242 0.000 0.937 113 E CB 0.964 30.772 29.700 0.180 0.000 0.923 113 E HN 0.757 nan 8.360 nan 0.000 0.468 114 A N 3.743 126.583 122.820 0.033 0.000 2.032 114 A HA -0.241 4.094 4.320 0.025 0.000 0.221 114 A C 2.158 179.739 177.584 -0.005 0.000 1.165 114 A CA 1.992 53.942 52.037 -0.144 0.000 0.645 114 A CB -0.750 17.900 19.000 -0.584 0.000 0.807 114 A HN 0.776 nan 8.150 nan 0.000 0.453 115 S N -1.340 114.353 115.700 -0.012 0.000 2.447 115 S HA -0.095 4.390 4.470 0.025 0.000 0.233 115 S C 1.630 176.193 174.600 -0.062 0.000 1.006 115 S CA 1.705 59.891 58.200 -0.024 0.000 0.957 115 S CB -0.038 63.152 63.200 -0.016 0.000 0.773 115 S HN 0.459 nan 8.310 nan 0.000 0.507 116 K N -0.971 119.359 120.400 -0.116 0.000 2.511 116 K HA 0.401 4.736 4.320 0.025 0.000 0.206 116 K C -0.988 175.277 176.600 -0.557 0.000 1.333 116 K CA 0.017 56.062 56.287 -0.403 0.000 0.957 116 K CB 0.562 32.675 32.500 -0.645 0.000 1.172 116 K HN 0.426 nan 8.250 nan 0.000 0.547 117 Y N -0.125 120.259 120.300 0.140 0.000 2.536 117 Y HA 0.349 4.890 4.550 -0.015 0.000 0.347 117 Y C -1.954 174.055 175.900 0.182 0.000 1.000 117 Y CA -2.449 55.734 58.100 0.138 0.000 1.051 117 Y CB 1.950 40.489 38.460 0.131 0.000 1.259 117 Y HN -0.140 nan 8.280 nan 0.000 0.468 118 P HA 0.062 nan 4.420 nan 0.000 0.235 118 P C -0.102 176.921 177.300 -0.463 0.000 1.177 118 P CA 1.113 64.210 63.100 -0.005 0.000 0.785 118 P CB 1.163 32.874 31.700 0.019 0.000 0.885 119 I N 1.303 121.704 120.570 -0.282 0.000 2.339 119 I HA 0.243 4.428 4.170 0.025 0.000 0.290 119 I C -0.085 175.917 176.117 -0.191 0.000 0.994 119 I CA -1.002 60.120 61.300 -0.298 0.000 1.191 119 I CB 0.315 38.304 38.000 -0.018 0.000 1.343 119 I HN -0.002 nan 8.210 nan 0.000 0.458 120 H N 5.151 124.268 119.070 0.079 0.000 2.762 120 H HA 0.622 5.191 4.556 0.022 0.000 0.310 120 H C -0.216 175.102 175.328 -0.016 0.000 1.004 120 H CA -0.814 55.259 56.048 0.042 0.000 1.267 120 H CB 1.960 31.731 29.762 0.016 0.000 1.437 120 H HN 0.460 nan 8.280 nan 0.000 0.498 121 V N -0.161 119.803 119.914 0.083 0.000 3.040 121 V HA 0.526 4.661 4.120 0.025 0.000 0.312 121 V C -0.426 175.663 176.094 -0.009 0.000 1.115 121 V CA -1.230 61.045 62.300 -0.040 0.000 0.998 121 V CB 1.395 33.204 31.823 -0.023 0.000 1.042 121 V HN 0.372 nan 8.190 nan 0.000 0.433 122 F N 1.814 121.765 119.950 0.001 0.000 2.629 122 F HA 0.258 4.800 4.527 0.025 0.000 0.369 122 F C 1.826 177.597 175.800 -0.049 0.000 1.125 122 F CA 0.603 58.592 58.000 -0.018 0.000 1.330 122 F CB 0.351 39.331 39.000 -0.033 0.000 1.071 122 F HN 0.929 nan 8.300 nan 0.000 0.595 123 K N 2.659 123.169 120.400 0.184 0.000 2.089 123 K HA -0.268 4.067 4.320 0.025 0.000 0.210 123 K C 1.960 178.557 176.600 -0.005 0.000 1.048 123 K CA 1.896 58.219 56.287 0.059 0.000 0.926 123 K CB -0.252 32.271 32.500 0.039 0.000 0.714 123 K HN 0.707 nan 8.250 nan 0.000 0.448 124 A N 0.349 123.170 122.820 0.002 0.000 1.940 124 A HA -0.111 4.224 4.320 0.025 0.000 0.219 124 A C 2.262 179.789 177.584 -0.094 0.000 1.176 124 A CA 1.812 53.817 52.037 -0.053 0.000 0.631 124 A CB -0.591 18.368 19.000 -0.068 0.000 0.814 124 A HN 0.198 nan 8.150 nan 0.000 0.446 125 V N 0.027 119.892 119.914 -0.082 0.000 2.307 125 V HA -0.234 3.901 4.120 0.025 0.000 0.245 125 V C 2.493 178.268 176.094 -0.531 0.000 1.045 125 V CA 2.233 64.370 62.300 -0.272 0.000 1.024 125 V CB -0.626 31.053 31.823 -0.241 0.000 0.651 125 V HN 0.647 nan 8.190 nan 0.000 0.449 126 K N -0.023 120.157 120.400 -0.367 0.000 2.063 126 K HA -0.252 4.083 4.320 0.025 0.000 0.208 126 K C 1.852 178.245 176.600 -0.345 0.000 1.048 126 K CA 1.945 58.024 56.287 -0.347 0.000 0.928 126 K CB -0.250 32.184 32.500 -0.110 0.000 0.713 126 K HN 0.454 nan 8.250 nan 0.000 0.442 127 D N 0.932 121.185 120.400 -0.245 0.000 2.123 127 D HA -0.188 4.468 4.640 0.025 0.000 0.196 127 D C 1.947 178.110 176.300 -0.229 0.000 0.992 127 D CA 1.032 54.900 54.000 -0.219 0.000 0.833 127 D CB -0.181 40.531 40.800 -0.146 0.000 0.954 127 D HN 0.252 nan 8.370 nan 0.000 0.455 128 L N -0.094 120.995 121.223 -0.223 0.000 2.083 128 L HA -0.204 4.152 4.340 0.025 0.000 0.209 128 L C 2.486 179.289 176.870 -0.112 0.000 1.083 128 L CA 0.841 55.578 54.840 -0.171 0.000 0.752 128 L CB -0.430 41.545 42.059 -0.140 0.000 0.899 128 L HN 0.059 nan 8.230 nan 0.000 0.433 129 Y N 0.729 120.890 120.300 -0.231 0.000 2.128 129 Y HA -0.249 4.315 4.550 0.022 0.000 0.284 129 Y C 2.583 178.243 175.900 -0.400 0.000 1.154 129 Y CA 0.894 58.868 58.100 -0.211 0.000 1.149 129 Y CB -0.839 37.465 38.460 -0.259 0.000 0.976 129 Y HN 0.135 nan 8.280 nan 0.000 0.505 130 K N 0.191 120.281 120.400 -0.518 0.000 2.097 130 K HA -0.202 4.134 4.320 0.025 0.000 0.206 130 K C 2.190 178.627 176.600 -0.272 0.000 1.049 130 K CA 1.494 57.446 56.287 -0.560 0.000 0.933 130 K CB -0.170 31.974 32.500 -0.593 0.000 0.717 130 K HN 0.177 nan 8.250 nan 0.000 0.442 131 K N 0.883 121.136 120.400 -0.246 0.000 2.057 131 K HA -0.132 4.203 4.320 0.025 0.000 0.207 131 K C 2.043 178.489 176.600 -0.257 0.000 1.049 131 K CA 1.327 57.492 56.287 -0.204 0.000 0.931 131 K CB -0.074 32.321 32.500 -0.176 0.000 0.714 131 K HN 0.131 nan 8.250 nan 0.000 0.440 132 A N 0.224 122.804 122.820 -0.401 0.000 1.968 132 A HA 0.029 4.364 4.320 0.025 0.000 0.217 132 A C 0.185 177.302 177.584 -0.778 0.000 1.169 132 A CA 0.692 52.309 52.037 -0.701 0.000 0.638 132 A CB -0.095 18.229 19.000 -1.126 0.000 0.812 132 A HN 0.223 nan 8.150 nan 0.000 0.446 133 F N -0.019 119.900 119.950 -0.051 0.000 2.403 133 F HA 0.312 4.854 4.527 0.026 0.000 0.355 133 F C 1.504 177.253 175.800 -0.085 0.000 1.119 133 F CA -0.598 57.375 58.000 -0.045 0.000 1.007 133 F CB 1.389 40.455 39.000 0.110 0.000 1.194 133 F HN 0.123 nan 8.300 nan 0.000 0.443 134 S N -0.291 115.409 115.700 -0.000 0.000 2.447 134 S HA -0.170 4.315 4.470 0.025 0.000 0.233 134 S C 1.739 176.281 174.600 -0.096 0.000 1.006 134 S CA 1.399 59.567 58.200 -0.053 0.000 0.957 134 S CB -0.772 62.398 63.200 -0.051 0.000 0.773 134 S HN 0.713 nan 8.310 nan 0.000 0.507 135 T N -3.422 111.031 114.554 -0.169 0.000 3.100 135 T HA 0.074 4.439 4.350 0.025 0.000 0.253 135 T C 0.414 174.742 174.700 -0.619 0.000 1.118 135 T CA -0.576 61.367 62.100 -0.260 0.000 1.058 135 T CB -0.552 68.189 68.868 -0.211 0.000 0.953 135 T HN 0.526 nan 8.240 nan 0.000 0.515 136 W N 3.087 123.931 121.300 -0.760 0.000 2.397 136 W HA 0.369 5.047 4.660 0.030 0.000 0.327 136 W C -0.144 175.942 176.519 -0.722 0.000 1.421 136 W CA 0.073 56.755 57.345 -1.105 0.000 1.288 136 W CB 0.123 29.344 29.460 -0.398 0.000 1.312 136 W HN 0.200 nan 8.180 nan 0.000 0.559 137 K N 4.683 124.586 120.400 -0.828 0.000 2.525 137 K HA 0.441 4.776 4.320 0.025 0.000 0.254 137 K C 0.559 177.021 176.600 -0.230 0.000 0.934 137 K CA 0.176 56.276 56.287 -0.313 0.000 0.802 137 K CB 1.212 33.554 32.500 -0.263 0.000 1.295 137 K HN 0.691 nan 8.250 nan 0.000 0.433 138 G N 3.363 112.115 108.800 -0.081 0.000 2.614 138 G HA2 -0.397 3.579 3.960 0.025 0.000 0.303 138 G HA3 -0.397 3.579 3.960 0.025 0.000 0.303 138 G C 0.574 175.461 174.900 -0.022 0.000 1.270 138 G CA 0.682 45.751 45.100 -0.050 0.000 0.988 138 G HN 0.744 nan 8.290 nan 0.000 0.551 139 K N -1.173 119.177 120.400 -0.083 0.000 2.148 139 K HA 0.090 4.425 4.320 0.025 0.000 0.204 139 K C 1.311 177.785 176.600 -0.210 0.000 1.050 139 K CA 1.153 57.373 56.287 -0.111 0.000 0.942 139 K CB -0.051 32.329 32.500 -0.201 0.000 0.724 139 K HN 0.619 nan 8.250 nan 0.000 0.446 140 Y N 0.082 120.019 120.300 -0.604 0.000 2.922 140 Y HA -0.374 4.188 4.550 0.020 0.000 0.464 140 Y C -0.243 175.242 175.900 -0.691 0.000 1.226 140 Y CA 0.539 58.063 58.100 -0.959 0.000 2.409 140 Y CB -0.547 36.848 38.460 -1.775 0.000 1.270 140 Y HN 0.317 nan 8.280 nan 0.000 0.632 141 N N -0.049 118.007 118.700 -1.072 0.000 2.710 141 N HA 0.199 4.954 4.740 0.025 0.000 0.257 141 N C -0.063 175.101 175.510 -0.576 0.000 1.140 141 N CA -0.160 52.512 53.050 -0.630 0.000 0.953 141 N CB 1.157 39.344 38.487 -0.499 0.000 1.664 141 N HN 0.495 nan 8.380 nan 0.000 0.497 142 L N 2.901 124.010 121.223 -0.190 0.000 2.089 142 L HA -0.187 4.169 4.340 0.025 0.000 0.213 142 L C 2.266 179.126 176.870 -0.017 0.000 1.079 142 L CA 1.999 56.819 54.840 -0.034 0.000 0.758 142 L CB -1.379 40.695 42.059 0.024 0.000 0.891 142 L HN 0.763 nan 8.230 nan 0.000 0.433 143 Y N -1.586 118.640 120.300 -0.123 0.000 2.293 143 Y HA 0.076 4.638 4.550 0.020 0.000 0.291 143 Y C 2.200 178.032 175.900 -0.113 0.000 1.137 143 Y CA 0.995 59.035 58.100 -0.101 0.000 1.202 143 Y CB -1.360 37.040 38.460 -0.100 0.000 0.990 143 Y HN 0.011 nan 8.280 nan 0.000 0.537 144 G N 0.732 109.102 108.800 -0.717 0.000 2.418 144 G HA2 -0.202 3.773 3.960 0.025 0.000 0.217 144 G HA3 -0.202 3.773 3.960 0.025 0.000 0.217 144 G C 1.840 176.591 174.900 -0.249 0.000 1.158 144 G CA 1.203 45.953 45.100 -0.583 0.000 0.771 144 G HN 0.665 nan 8.290 nan 0.000 0.545 145 A N 0.217 122.862 122.820 -0.293 0.000 1.930 145 A HA 0.149 4.484 4.320 0.025 0.000 0.217 145 A C 2.156 179.475 177.584 -0.440 0.000 1.175 145 A CA 1.214 52.931 52.037 -0.533 0.000 0.627 145 A CB -0.522 18.133 19.000 -0.574 0.000 0.815 145 A HN 0.263 nan 8.150 nan 0.000 0.443 146 F N -0.024 119.814 119.950 -0.187 0.000 2.134 146 F HA -0.134 4.408 4.527 0.025 0.000 0.299 146 F C 2.118 178.095 175.800 0.295 0.000 1.097 146 F CA 1.462 59.548 58.000 0.143 0.000 1.264 146 F CB -0.426 38.633 39.000 0.097 0.000 1.001 146 F HN 0.108 nan 8.300 nan 0.000 0.479 147 L N -0.424 120.991 121.223 0.320 0.000 2.017 147 L HA -0.229 4.126 4.340 0.025 0.000 0.208 147 L C 2.511 179.395 176.870 0.022 0.000 1.073 147 L CA 1.764 56.697 54.840 0.155 0.000 0.745 147 L CB -0.636 41.411 42.059 -0.019 0.000 0.894 147 L HN 0.155 nan 8.230 nan 0.000 0.432 148 E N 0.292 120.454 120.200 -0.064 0.000 2.051 148 E HA -0.301 4.065 4.350 0.025 0.000 0.192 148 E C 2.158 178.783 176.600 0.042 0.000 0.991 148 E CA 1.322 57.648 56.400 -0.123 0.000 0.799 148 E CB 0.136 29.649 29.700 -0.311 0.000 0.748 148 E HN 0.124 nan 8.360 nan 0.000 0.449 149 K N 0.890 121.316 120.400 0.043 0.000 2.032 149 K HA -0.154 4.182 4.320 0.025 0.000 0.209 149 K C 1.836 178.514 176.600 0.130 0.000 1.048 149 K CA 1.750 58.099 56.287 0.103 0.000 0.927 149 K CB -0.703 31.720 32.500 -0.129 0.000 0.712 149 K HN 0.200 nan 8.250 nan 0.000 0.441 150 A N 0.069 123.040 122.820 0.251 0.000 1.892 150 A HA -0.161 4.175 4.320 0.025 0.000 0.218 150 A C 2.368 180.011 177.584 0.099 0.000 1.188 150 A CA 2.172 54.348 52.037 0.231 0.000 0.631 150 A CB -0.987 18.042 19.000 0.049 0.000 0.822 150 A HN 0.143 nan 8.150 nan 0.000 0.447 151 V N 0.104 120.039 119.914 0.036 0.000 2.332 151 V HA -0.301 3.834 4.120 0.025 0.000 0.248 151 V C 2.595 178.775 176.094 0.145 0.000 1.055 151 V CA 2.315 64.629 62.300 0.024 0.000 1.038 151 V CB -0.900 30.868 31.823 -0.092 0.000 0.651 151 V HN 0.537 nan 8.190 nan 0.000 0.450 152 R N -0.335 120.281 120.500 0.193 0.000 2.152 152 R HA -0.043 4.312 4.340 0.025 0.000 0.232 152 R C 2.025 178.397 176.300 0.120 0.000 1.117 152 R CA 1.113 57.313 56.100 0.166 0.000 0.981 152 R CB -0.294 30.094 30.300 0.148 0.000 0.870 152 R HN 0.443 nan 8.270 nan 0.000 0.451 153 L N 0.593 121.901 121.223 0.142 0.000 2.558 153 L HA 0.073 4.428 4.340 0.025 0.000 0.225 153 L C 0.121 177.139 176.870 0.247 0.000 1.128 153 L CA -0.295 54.661 54.840 0.192 0.000 0.868 153 L CB 0.051 42.266 42.059 0.261 0.000 1.006 153 L HN 0.042 nan 8.230 nan 0.000 0.454 154 L N 0.905 122.245 121.223 0.195 0.000 2.349 154 L HA 0.168 4.523 4.340 0.025 0.000 0.275 154 L C 0.541 177.490 176.870 0.131 0.000 1.115 154 L CA 0.134 55.085 54.840 0.185 0.000 0.820 154 L CB 0.741 42.914 42.059 0.189 0.000 1.135 154 L HN 0.006 nan 8.230 nan 0.000 0.445 155 K N 4.091 124.553 120.400 0.103 0.000 2.336 155 K HA 0.142 4.478 4.320 0.025 0.000 0.262 155 K C -2.183 174.452 176.600 0.059 0.000 0.992 155 K CA -1.312 55.009 56.287 0.057 0.000 0.927 155 K CB -0.147 32.373 32.500 0.032 0.000 0.956 155 K HN 0.402 nan 8.250 nan 0.000 0.495 156 P HA -0.084 nan 4.420 nan 0.000 0.261 156 P C 0.391 177.701 177.300 0.017 0.000 1.183 156 P CA 1.076 64.193 63.100 0.028 0.000 0.761 156 P CB 0.383 32.092 31.700 0.016 0.000 0.785 157 G N 2.207 111.008 108.800 0.002 0.000 2.179 157 G HA2 -0.190 3.785 3.960 0.025 0.000 0.260 157 G HA3 -0.190 3.785 3.960 0.025 0.000 0.260 157 G C 0.669 175.566 174.900 -0.005 0.000 0.977 157 G CA -0.144 44.946 45.100 -0.015 0.000 0.641 157 G HN 0.882 nan 8.290 nan 0.000 0.533 158 G N -1.135 107.682 108.800 0.028 0.000 2.636 158 G HA2 0.559 4.534 3.960 0.025 0.000 0.246 158 G HA3 0.559 4.534 3.960 0.025 0.000 0.246 158 G C -0.172 174.751 174.900 0.038 0.000 1.216 158 G CA 0.387 45.519 45.100 0.053 0.000 0.854 158 G HN 1.042 nan 8.290 nan 0.000 0.572 159 V N 1.309 121.247 119.914 0.041 0.000 2.540 159 V HA 0.521 4.656 4.120 0.025 0.000 0.302 159 V C -0.136 175.973 176.094 0.026 0.000 1.035 159 V CA -0.630 61.685 62.300 0.024 0.000 0.873 159 V CB 1.323 33.146 31.823 -0.000 0.000 0.992 159 V HN 0.850 nan 8.190 nan 0.000 0.428 160 L N 4.405 125.649 121.223 0.036 0.000 2.342 160 L HA 0.994 5.349 4.340 0.025 0.000 0.271 160 L C -0.784 176.027 176.870 -0.097 0.000 1.008 160 L CA -0.517 54.253 54.840 -0.117 0.000 0.818 160 L CB 2.155 44.025 42.059 -0.316 0.000 1.296 160 L HN 0.307 nan 8.230 nan 0.000 0.427 161 V N 3.452 123.299 119.914 -0.111 0.000 2.462 161 V HA 0.556 4.691 4.120 0.025 0.000 0.288 161 V C -0.949 175.233 176.094 0.147 0.000 1.020 161 V CA -0.103 62.193 62.300 -0.006 0.000 0.857 161 V CB 0.941 32.758 31.823 -0.010 0.000 1.013 161 V HN 0.615 nan 8.190 nan 0.000 0.431 162 F N 2.792 122.710 119.950 -0.053 0.000 2.546 162 F HA 0.673 5.215 4.527 0.024 0.000 0.320 162 F C 0.023 175.813 175.800 -0.016 0.000 1.076 162 F CA -1.548 56.398 58.000 -0.090 0.000 0.928 162 F CB 2.242 41.204 39.000 -0.064 0.000 1.189 162 F HN 0.270 nan 8.300 nan 0.000 0.465 163 V N 5.295 125.301 119.914 0.153 0.000 2.394 163 V HA 0.833 4.968 4.120 0.025 0.000 0.282 163 V C -1.098 175.090 176.094 0.157 0.000 1.031 163 V CA -0.350 62.052 62.300 0.171 0.000 0.881 163 V CB 1.242 33.198 31.823 0.221 0.000 0.982 163 V HN 0.624 nan 8.190 nan 0.000 0.451 164 V N 4.199 124.109 119.914 -0.007 0.000 3.159 164 V HA 0.770 4.905 4.120 0.025 0.000 0.308 164 V C -2.935 172.753 176.094 -0.677 0.000 1.190 164 V CA -2.617 59.399 62.300 -0.474 0.000 1.037 164 V CB 1.822 33.363 31.823 -0.470 0.000 1.060 164 V HN 0.664 nan 8.190 nan 0.000 0.437 165 P HA 0.277 nan 4.420 nan 0.000 0.269 165 P C 0.460 177.527 177.300 -0.389 0.000 1.217 165 P CA 0.553 63.209 63.100 -0.740 0.000 0.783 165 P CB 0.677 31.893 31.700 -0.806 0.000 0.898 166 A N 1.110 123.781 122.820 -0.248 0.000 2.238 166 A HA -0.050 4.285 4.320 0.025 0.000 0.208 166 A C 1.810 179.150 177.584 -0.406 0.000 1.177 166 A CA 1.384 53.207 52.037 -0.357 0.000 0.804 166 A CB -1.530 17.322 19.000 -0.247 0.000 0.823 166 A HN 0.623 nan 8.150 nan 0.000 0.482 167 T N -2.270 112.186 114.554 -0.163 0.000 2.915 167 T HA -0.198 4.167 4.350 0.025 0.000 0.269 167 T C 1.801 176.459 174.700 -0.069 0.000 1.071 167 T CA 1.200 63.293 62.100 -0.011 0.000 1.132 167 T CB -0.706 68.257 68.868 0.158 0.000 0.878 167 T HN 0.830 nan 8.240 nan 0.000 0.479 168 W N 2.163 123.232 121.300 -0.386 0.000 2.421 168 W HA 0.032 4.704 4.660 0.020 0.000 0.270 168 W C 1.272 177.747 176.519 -0.073 0.000 1.233 168 W CA 0.081 57.147 57.345 -0.466 0.000 1.226 168 W CB -0.997 28.083 29.460 -0.633 0.000 1.121 168 W HN 0.251 nan 8.180 nan 0.000 0.579 169 L N 1.479 122.196 121.223 -0.844 0.000 2.141 169 L HA -0.175 4.181 4.340 0.025 0.000 0.209 169 L C 2.425 179.192 176.870 -0.172 0.000 1.094 169 L CA 1.842 56.223 54.840 -0.765 0.000 0.763 169 L CB -1.009 40.420 42.059 -1.050 0.000 0.908 169 L HN 0.048 nan 8.230 nan 0.000 0.437 170 V N -4.519 115.391 119.914 -0.007 0.000 3.484 170 V HA 0.223 4.358 4.120 0.025 0.000 0.252 170 V C 1.090 177.287 176.094 0.172 0.000 1.282 170 V CA -0.296 62.093 62.300 0.149 0.000 1.104 170 V CB 0.051 32.020 31.823 0.242 0.000 0.868 170 V HN 0.052 nan 8.190 nan 0.000 0.457 171 L N 1.218 122.586 121.223 0.240 0.000 2.395 171 L HA 0.389 4.744 4.340 0.025 0.000 0.269 171 L C 1.818 178.826 176.870 0.230 0.000 1.133 171 L CA -0.301 54.692 54.840 0.255 0.000 0.812 171 L CB 0.830 43.101 42.059 0.354 0.000 1.125 171 L HN 0.107 nan 8.230 nan 0.000 0.452 172 E N 1.055 121.328 120.200 0.123 0.000 2.118 172 E HA -0.214 4.151 4.350 0.025 0.000 0.195 172 E C 1.298 177.913 176.600 0.026 0.000 0.992 172 E CA 1.286 57.729 56.400 0.072 0.000 0.804 172 E CB 0.054 29.771 29.700 0.028 0.000 0.741 172 E HN 0.616 nan 8.360 nan 0.000 0.458 173 D N -0.649 119.712 120.400 -0.065 0.000 2.221 173 D HA -0.148 4.508 4.640 0.025 0.000 0.204 173 D C 0.785 176.860 176.300 -0.376 0.000 0.982 173 D CA 0.729 54.550 54.000 -0.298 0.000 0.857 173 D CB -0.158 40.314 40.800 -0.547 0.000 0.934 173 D HN 0.170 nan 8.370 nan 0.000 0.475 174 F N -0.777 119.254 119.950 0.134 0.000 2.647 174 F HA 0.412 4.952 4.527 0.021 0.000 0.300 174 F C 1.842 177.758 175.800 0.192 0.000 1.106 174 F CA -0.386 57.731 58.000 0.195 0.000 1.313 174 F CB -0.122 39.021 39.000 0.238 0.000 1.007 174 F HN -0.140 nan 8.300 nan 0.000 0.536 175 A N 0.331 123.288 122.820 0.229 0.000 1.933 175 A HA -0.109 4.226 4.320 0.025 0.000 0.218 175 A C 2.156 179.824 177.584 0.141 0.000 1.175 175 A CA 1.429 53.571 52.037 0.173 0.000 0.628 175 A CB -0.682 18.377 19.000 0.098 0.000 0.814 175 A HN 0.433 nan 8.150 nan 0.000 0.444 176 L N -1.107 120.176 121.223 0.099 0.000 2.141 176 L HA -0.116 4.239 4.340 0.025 0.000 0.209 176 L C 2.503 179.457 176.870 0.139 0.000 1.094 176 L CA 0.827 55.709 54.840 0.071 0.000 0.763 176 L CB -0.447 41.603 42.059 -0.015 0.000 0.908 176 L HN 0.463 nan 8.230 nan 0.000 0.437 177 L N -0.083 121.264 121.223 0.207 0.000 2.027 177 L HA -0.162 4.193 4.340 0.025 0.000 0.206 177 L C 2.745 179.799 176.870 0.306 0.000 1.074 177 L CA 1.648 56.644 54.840 0.259 0.000 0.745 177 L CB -0.436 41.829 42.059 0.343 0.000 0.898 177 L HN 0.068 nan 8.230 nan 0.000 0.433 178 R N -0.310 120.404 120.500 0.355 0.000 2.073 178 R HA -0.172 4.183 4.340 0.025 0.000 0.234 178 R C 2.151 178.443 176.300 -0.014 0.000 1.134 178 R CA 1.914 58.236 56.100 0.370 0.000 0.952 178 R CB -0.434 30.129 30.300 0.438 0.000 0.850 178 R HN 0.531 nan 8.270 nan 0.000 0.433 179 E N -0.148 120.040 120.200 -0.020 0.000 2.110 179 E HA -0.202 4.164 4.350 0.025 0.000 0.193 179 E C 1.659 178.261 176.600 0.003 0.000 0.988 179 E CA 1.121 57.462 56.400 -0.098 0.000 0.804 179 E CB -0.168 29.514 29.700 -0.030 0.000 0.745 179 E HN 0.244 nan 8.360 nan 0.000 0.458 180 F N 1.407 121.337 119.950 -0.033 0.000 2.084 180 F HA -0.162 4.381 4.527 0.026 0.000 0.296 180 F C 1.862 177.667 175.800 0.008 0.000 1.111 180 F CA 1.287 59.281 58.000 -0.010 0.000 1.224 180 F CB -0.202 38.797 39.000 -0.003 0.000 0.991 180 F HN -0.107 nan 8.300 nan 0.000 0.471 181 L N 0.441 121.720 121.223 0.094 0.000 2.013 181 L HA -0.279 4.076 4.340 0.025 0.000 0.212 181 L C 2.854 179.870 176.870 0.244 0.000 1.073 181 L CA 1.441 56.343 54.840 0.102 0.000 0.753 181 L CB -1.473 40.775 42.059 0.315 0.000 0.890 181 L HN 0.298 nan 8.230 nan 0.000 0.432 182 A N 0.839 123.691 122.820 0.053 0.000 1.940 182 A HA -0.241 4.094 4.320 0.025 0.000 0.219 182 A C 2.369 179.975 177.584 0.036 0.000 1.176 182 A CA 2.176 54.192 52.037 -0.034 0.000 0.631 182 A CB -0.582 18.049 19.000 -0.615 0.000 0.814 182 A HN 0.612 nan 8.150 nan 0.000 0.446 183 R N -1.563 118.915 120.500 -0.036 0.000 2.265 183 R HA 0.142 4.497 4.340 0.025 0.000 0.194 183 R C 1.001 177.278 176.300 -0.039 0.000 0.931 183 R CA 0.796 56.876 56.100 -0.033 0.000 1.032 183 R CB -0.067 30.202 30.300 -0.051 0.000 0.980 183 R HN 0.288 nan 8.270 nan 0.000 0.497 184 E N 0.989 121.141 120.200 -0.080 0.000 2.371 184 E HA 0.154 4.519 4.350 0.025 0.000 0.194 184 E C 0.714 177.444 176.600 0.216 0.000 1.012 184 E CA 0.995 57.373 56.400 -0.036 0.000 0.860 184 E CB 0.978 30.462 29.700 -0.360 0.000 0.811 184 E HN 0.558 nan 8.360 nan 0.000 0.502 185 G N 0.809 109.743 108.800 0.223 0.000 2.356 185 G HA2 0.211 4.186 3.960 0.025 0.000 0.281 185 G HA3 0.211 4.186 3.960 0.025 0.000 0.281 185 G C -1.502 173.364 174.900 -0.056 0.000 1.246 185 G CA -0.632 44.422 45.100 -0.076 0.000 0.889 185 G HN 0.046 nan 8.290 nan 0.000 0.486 186 K N -0.692 119.527 120.400 -0.303 0.000 2.207 186 K HA 0.800 5.136 4.320 0.025 0.000 0.255 186 K C -1.257 175.307 176.600 -0.059 0.000 0.941 186 K CA -0.613 55.630 56.287 -0.074 0.000 0.825 186 K CB 2.199 34.663 32.500 -0.061 0.000 1.119 186 K HN 0.374 nan 8.250 nan 0.000 0.430 187 T N 1.319 115.955 114.554 0.136 0.000 2.848 187 T HA 0.310 4.675 4.350 0.025 0.000 0.285 187 T C -0.981 173.784 174.700 0.109 0.000 0.995 187 T CA -0.747 61.473 62.100 0.199 0.000 0.970 187 T CB 1.589 70.641 68.868 0.308 0.000 0.976 187 T HN 0.558 nan 8.240 nan 0.000 0.441 188 S N 1.996 117.780 115.700 0.139 0.000 2.473 188 S HA 0.663 5.149 4.470 0.025 0.000 0.307 188 S C -0.419 174.203 174.600 0.038 0.000 1.094 188 S CA -0.668 57.579 58.200 0.080 0.000 1.070 188 S CB 1.240 64.485 63.200 0.075 0.000 1.019 188 S HN 0.502 nan 8.310 nan 0.000 0.480 189 V N 4.140 124.025 119.914 -0.049 0.000 2.495 189 V HA 0.477 4.612 4.120 0.025 0.000 0.298 189 V C -1.552 174.527 176.094 -0.025 0.000 1.031 189 V CA -0.656 61.672 62.300 0.046 0.000 0.871 189 V CB 1.088 32.896 31.823 -0.025 0.000 0.988 189 V HN 0.850 nan 8.190 nan 0.000 0.432 190 Y N 3.746 124.207 120.300 0.270 0.000 2.338 190 Y HA 0.441 5.006 4.550 0.025 0.000 0.328 190 Y C -0.375 175.672 175.900 0.246 0.000 0.965 190 Y CA -0.846 57.448 58.100 0.323 0.000 1.208 190 Y CB 1.261 39.915 38.460 0.325 0.000 1.132 190 Y HN 0.679 nan 8.280 nan 0.000 0.469 191 Y N 4.191 124.673 120.300 0.304 0.000 2.402 191 Y HA 0.315 4.879 4.550 0.022 0.000 0.333 191 Y C -0.044 175.893 175.900 0.062 0.000 1.076 191 Y CA -0.046 58.165 58.100 0.184 0.000 1.299 191 Y CB 0.652 39.271 38.460 0.266 0.000 1.197 191 Y HN 0.725 nan 8.280 nan 0.000 0.517 192 L N 5.005 125.798 121.223 -0.718 0.000 2.547 192 L HA 0.393 4.748 4.340 0.025 0.000 0.218 192 L C 1.368 177.750 176.870 -0.813 0.000 1.048 192 L CA 0.392 54.835 54.840 -0.662 0.000 0.859 192 L CB -0.476 41.229 42.059 -0.590 0.000 1.128 192 L HN 1.007 nan 8.230 nan 0.000 0.483 193 G N 0.943 109.091 108.800 -1.087 0.000 2.542 193 G HA2 -0.262 3.713 3.960 0.025 0.000 0.235 193 G HA3 -0.262 3.713 3.960 0.025 0.000 0.235 193 G C -0.208 174.568 174.900 -0.207 0.000 1.286 193 G CA -0.401 44.363 45.100 -0.561 0.000 0.904 193 G HN 0.244 nan 8.290 nan 0.000 0.577 194 E N 1.120 121.282 120.200 -0.063 0.000 1.842 194 E HA 0.283 4.648 4.350 0.025 0.000 0.278 194 E C 1.616 178.208 176.600 -0.013 0.000 1.171 194 E CA 0.380 56.783 56.400 0.006 0.000 1.127 194 E CB 0.195 29.916 29.700 0.035 0.000 1.100 194 E HN 0.895 nan 8.360 nan 0.000 0.456 195 V N -0.637 119.226 119.914 -0.085 0.000 3.650 195 V HA 0.194 4.330 4.120 0.025 0.000 0.271 195 V C 0.312 176.254 176.094 -0.252 0.000 1.281 195 V CA 0.014 62.210 62.300 -0.174 0.000 1.120 195 V CB -0.378 31.277 31.823 -0.280 0.000 0.856 195 V HN 0.187 nan 8.190 nan 0.000 0.443 196 F N 2.839 122.798 119.950 0.014 0.000 2.371 196 F HA 0.639 5.182 4.527 0.026 0.000 0.363 196 F C -2.167 173.639 175.800 0.010 0.000 1.122 196 F CA -2.853 55.157 58.000 0.016 0.000 1.129 196 F CB 0.515 39.528 39.000 0.021 0.000 1.173 196 F HN 0.015 nan 8.300 nan 0.000 0.489 197 P HA 0.027 nan 4.420 nan 0.000 0.265 197 P C -0.386 176.971 177.300 0.095 0.000 1.193 197 P CA 0.294 63.449 63.100 0.091 0.000 0.765 197 P CB 0.482 32.216 31.700 0.057 0.000 0.823 198 Q N -1.343 118.496 119.800 0.065 0.000 2.439 198 Q HA -0.247 4.109 4.340 0.025 0.000 0.247 198 Q C -0.475 175.553 176.000 0.047 0.000 0.899 198 Q CA 1.514 57.345 55.803 0.046 0.000 1.201 198 Q CB -1.982 26.775 28.738 0.031 0.000 1.608 198 Q HN 0.405 nan 8.270 nan 0.000 0.563 199 K N 0.109 120.556 120.400 0.079 0.000 2.426 199 K HA 0.395 4.730 4.320 0.025 0.000 0.254 199 K C -0.703 175.945 176.600 0.080 0.000 0.936 199 K CA -0.655 55.667 56.287 0.058 0.000 0.801 199 K CB 1.387 33.901 32.500 0.023 0.000 1.139 199 K HN -0.003 nan 8.250 nan 0.000 0.424 200 K N 2.973 123.404 120.400 0.051 0.000 2.180 200 K HA 0.345 4.681 4.320 0.025 0.000 0.250 200 K C -1.338 175.294 176.600 0.053 0.000 1.135 200 K CA -0.341 55.975 56.287 0.048 0.000 1.037 200 K CB 0.369 32.886 32.500 0.028 0.000 1.624 200 K HN 0.344 nan 8.250 nan 0.000 0.382 201 V N 1.728 121.689 119.914 0.078 0.000 2.891 201 V HA 0.306 4.441 4.120 0.025 0.000 0.304 201 V C -1.535 174.609 176.094 0.083 0.000 1.171 201 V CA -0.634 61.705 62.300 0.065 0.000 0.943 201 V CB 2.284 34.137 31.823 0.050 0.000 1.037 201 V HN 0.530 nan 8.190 nan 0.000 0.427 202 S N 5.123 120.854 115.700 0.050 0.000 2.429 202 S HA 0.862 5.348 4.470 0.025 0.000 0.302 202 S C -0.083 174.502 174.600 -0.025 0.000 1.115 202 S CA 0.271 58.498 58.200 0.045 0.000 1.095 202 S CB 0.918 64.208 63.200 0.150 0.000 0.987 202 S HN 1.627 nan 8.310 nan 0.000 0.474 203 A N 3.848 126.616 122.820 -0.087 0.000 2.311 203 A HA 0.883 5.218 4.320 0.025 0.000 0.334 203 A C -0.179 177.301 177.584 -0.173 0.000 1.139 203 A CA -0.636 51.343 52.037 -0.096 0.000 0.830 203 A CB 1.199 20.226 19.000 0.044 0.000 1.234 203 A HN 1.485 nan 8.150 nan 0.000 0.483 204 V N -1.302 118.567 119.914 -0.074 0.000 3.102 204 V HA 0.836 4.971 4.120 0.025 0.000 0.312 204 V C -0.523 175.641 176.094 0.116 0.000 1.135 204 V CA -0.822 61.486 62.300 0.013 0.000 1.022 204 V CB 1.307 33.166 31.823 0.060 0.000 1.056 204 V HN 0.685 nan 8.190 nan 0.000 0.436 205 V N 3.023 123.064 119.914 0.213 0.000 2.532 205 V HA 0.540 4.676 4.120 0.025 0.000 0.295 205 V C -0.102 176.215 176.094 0.371 0.000 1.041 205 V CA -0.367 62.090 62.300 0.262 0.000 0.926 205 V CB 1.569 33.537 31.823 0.242 0.000 0.992 205 V HN 0.896 nan 8.190 nan 0.000 0.457 206 I N 5.037 125.791 120.570 0.306 0.000 2.406 206 I HA 0.554 4.740 4.170 0.025 0.000 0.290 206 I C -0.107 176.150 176.117 0.232 0.000 0.999 206 I CA -0.585 60.900 61.300 0.309 0.000 1.124 206 I CB 0.851 38.992 38.000 0.236 0.000 1.289 206 I HN 0.614 nan 8.210 nan 0.000 0.441 207 R N 7.546 128.216 120.500 0.282 0.000 2.265 207 R HA 0.357 4.712 4.340 0.025 0.000 0.328 207 R C -1.977 174.448 176.300 0.207 0.000 0.969 207 R CA -0.527 55.691 56.100 0.196 0.000 0.832 207 R CB 1.109 31.536 30.300 0.212 0.000 1.139 207 R HN 0.642 nan 8.270 nan 0.000 0.457 208 F N 3.134 123.091 119.950 0.012 0.000 2.495 208 F HA 0.331 4.874 4.527 0.027 0.000 0.327 208 F C -0.788 175.013 175.800 0.002 0.000 1.103 208 F CA -0.516 57.491 58.000 0.013 0.000 0.949 208 F CB 1.814 40.798 39.000 -0.025 0.000 1.142 208 F HN 0.459 nan 8.300 nan 0.000 0.457 209 Q N 5.417 124.710 119.800 -0.846 0.000 2.340 209 Q HA 0.267 4.622 4.340 0.025 0.000 0.268 209 Q C -1.031 174.429 176.000 -0.900 0.000 1.031 209 Q CA -0.908 54.536 55.803 -0.597 0.000 0.804 209 Q CB 1.728 30.298 28.738 -0.281 0.000 1.286 209 Q HN 0.754 nan 8.270 nan 0.000 0.448 210 K N 2.653 122.814 120.400 -0.399 0.000 2.737 210 K HA 0.165 4.500 4.320 0.025 0.000 0.251 210 K C -1.435 175.102 176.600 -0.106 0.000 1.280 210 K CA 0.192 56.394 56.287 -0.141 0.000 1.219 210 K CB -0.264 32.333 32.500 0.162 0.000 1.587 210 K HN 0.660 nan 8.250 nan 0.000 0.279 211 S N -0.684 114.909 115.700 -0.179 0.000 2.686 211 S HA 0.544 5.029 4.470 0.025 0.000 0.273 211 S C 0.041 174.583 174.600 -0.097 0.000 1.060 211 S CA -0.651 57.493 58.200 -0.093 0.000 0.845 211 S CB 0.597 63.758 63.200 -0.066 0.000 1.086 211 S HN 0.615 nan 8.310 nan 0.000 0.461 212 G N 1.449 110.225 108.800 -0.040 0.000 2.601 212 G HA2 0.087 4.063 3.960 0.025 0.000 0.261 212 G HA3 0.087 4.063 3.960 0.025 0.000 0.261 212 G C -0.476 174.429 174.900 0.007 0.000 1.289 212 G CA 0.898 45.989 45.100 -0.014 0.000 0.920 212 G HN 2.047 nan 8.290 nan 0.000 0.571 213 K N -1.663 118.760 120.400 0.039 0.000 2.617 213 K HA 0.748 5.084 4.320 0.025 0.000 0.293 213 K C 0.102 176.776 176.600 0.124 0.000 1.034 213 K CA 0.054 56.400 56.287 0.098 0.000 0.884 213 K CB 1.415 33.983 32.500 0.113 0.000 1.541 213 K HN 2.788 nan 8.250 nan 0.000 0.409 214 G N -0.240 108.692 108.800 0.220 0.000 2.603 214 G HA2 0.186 4.162 3.960 0.025 0.000 0.686 214 G HA3 0.186 4.162 3.960 0.025 0.000 0.686 214 G C -2.100 172.949 174.900 0.249 0.000 1.286 214 G CA -0.448 44.792 45.100 0.234 0.000 0.871 214 G HN 0.873 nan 8.290 nan 0.000 0.568 215 L N -0.035 121.271 121.223 0.139 0.000 2.386 215 L HA 0.893 5.248 4.340 0.025 0.000 0.271 215 L C -0.055 176.777 176.870 -0.062 0.000 0.993 215 L CA -0.440 54.333 54.840 -0.112 0.000 0.819 215 L CB 2.367 44.039 42.059 -0.645 0.000 1.294 215 L HN 0.881 nan 8.230 nan 0.000 0.414 216 S N 4.907 120.570 115.700 -0.061 0.000 2.519 216 S HA 0.677 5.163 4.470 0.025 0.000 0.309 216 S C -1.114 173.415 174.600 -0.118 0.000 1.100 216 S CA -0.404 57.742 58.200 -0.090 0.000 1.059 216 S CB 1.445 64.694 63.200 0.083 0.000 1.008 216 S HN 0.613 nan 8.310 nan 0.000 0.478 217 L N 3.832 124.920 121.223 -0.225 0.000 2.295 217 L HA 0.758 5.114 4.340 0.025 0.000 0.285 217 L C -1.895 174.877 176.870 -0.162 0.000 1.035 217 L CA -0.165 54.564 54.840 -0.185 0.000 0.806 217 L CB 0.484 42.371 42.059 -0.287 0.000 1.214 217 L HN 0.707 nan 8.230 nan 0.000 0.426 218 W N 3.684 124.972 121.300 -0.021 0.000 2.785 218 W HA 0.453 5.127 4.660 0.024 0.000 0.333 218 W C -0.315 176.430 176.519 0.377 0.000 1.062 218 W CA -0.550 56.895 57.345 0.167 0.000 1.233 218 W CB 1.312 30.790 29.460 0.030 0.000 1.413 218 W HN 0.440 nan 8.180 nan 0.000 0.489 219 D N 0.557 121.357 120.400 0.667 0.000 2.432 219 D HA 0.632 5.287 4.640 0.025 0.000 0.258 219 D C -0.289 176.290 176.300 0.466 0.000 1.146 219 D CA -0.008 54.300 54.000 0.512 0.000 1.015 219 D CB 1.523 42.577 40.800 0.423 0.000 1.107 219 D HN 0.321 nan 8.370 nan 0.000 0.529 220 T N -1.776 112.976 114.554 0.330 0.000 2.896 220 T HA 0.587 4.952 4.350 0.025 0.000 0.297 220 T C -0.676 174.144 174.700 0.199 0.000 1.108 220 T CA -0.943 61.295 62.100 0.232 0.000 1.004 220 T CB 1.570 70.477 68.868 0.065 0.000 1.159 220 T HN 0.314 nan 8.240 nan 0.000 0.499 221 Q N 0.376 120.267 119.800 0.153 0.000 2.340 221 Q HA 0.414 4.769 4.340 0.025 0.000 0.268 221 Q C -1.114 174.876 176.000 -0.015 0.000 1.031 221 Q CA -0.629 55.224 55.803 0.082 0.000 0.804 221 Q CB 2.435 31.211 28.738 0.064 0.000 1.286 221 Q HN 0.754 nan 8.270 nan 0.000 0.448 222 E N 1.259 121.380 120.200 -0.133 0.000 2.197 222 E HA 0.432 4.797 4.350 0.025 0.000 0.281 222 E C -1.103 175.319 176.600 -0.298 0.000 0.995 222 E CA -0.098 56.026 56.400 -0.461 0.000 0.808 222 E CB 1.202 30.504 29.700 -0.663 0.000 1.093 222 E HN 0.510 nan 8.360 nan 0.000 0.394 223 S N 2.516 118.029 115.700 -0.311 0.000 2.709 223 S HA 0.077 4.562 4.470 0.025 0.000 0.302 223 S C 0.756 175.233 174.600 -0.205 0.000 1.127 223 S CA -0.791 57.292 58.200 -0.194 0.000 0.905 223 S CB 1.602 64.731 63.200 -0.119 0.000 1.151 223 S HN 0.774 nan 8.310 nan 0.000 0.510 224 E N 1.342 121.460 120.200 -0.136 0.000 2.065 224 E HA -0.209 4.156 4.350 0.025 0.000 0.201 224 E C 1.834 178.369 176.600 -0.109 0.000 1.016 224 E CA 1.907 58.240 56.400 -0.112 0.000 0.818 224 E CB -0.286 29.369 29.700 -0.075 0.000 0.749 224 E HN 0.510 nan 8.360 nan 0.000 0.453 225 S N -0.679 114.967 115.700 -0.089 0.000 2.461 225 S HA -0.051 4.434 4.470 0.025 0.000 0.246 225 S C 0.649 175.204 174.600 -0.075 0.000 1.007 225 S CA 1.249 59.410 58.200 -0.066 0.000 0.976 225 S CB -0.666 62.508 63.200 -0.044 0.000 0.763 225 S HN 0.685 nan 8.310 nan 0.000 0.508 226 G N -0.824 107.885 108.800 -0.152 0.000 2.362 226 G HA2 0.009 3.984 3.960 0.025 0.000 0.517 226 G HA3 0.009 3.984 3.960 0.025 0.000 0.517 226 G C -0.846 173.871 174.900 -0.305 0.000 1.256 226 G CA -0.647 44.345 45.100 -0.179 0.000 1.027 226 G HN 0.224 nan 8.290 nan 0.000 0.491 227 F N 0.988 120.856 119.950 -0.136 0.000 2.384 227 F HA 0.617 5.160 4.527 0.026 0.000 0.338 227 F C 1.094 176.767 175.800 -0.211 0.000 1.103 227 F CA 0.076 57.891 58.000 -0.308 0.000 1.157 227 F CB 2.126 40.666 39.000 -0.767 0.000 1.167 227 F HN 0.349 nan 8.300 nan 0.000 0.529 228 T N 4.577 119.151 114.554 0.033 0.000 2.786 228 T HA 0.372 4.737 4.350 0.025 0.000 0.283 228 T C -2.694 172.109 174.700 0.172 0.000 0.992 228 T CA -1.635 60.535 62.100 0.117 0.000 0.954 228 T CB 1.578 70.507 68.868 0.102 0.000 0.934 228 T HN 0.149 nan 8.240 nan 0.000 0.440 229 P HA 0.491 nan 4.420 nan 0.000 0.279 229 P C -0.898 176.733 177.300 0.551 0.000 1.239 229 P CA -0.467 62.915 63.100 0.470 0.000 0.789 229 P CB 0.510 32.472 31.700 0.437 0.000 0.933 230 I N 2.900 123.851 120.570 0.635 0.000 2.439 230 I HA 0.221 4.407 4.170 0.025 0.000 0.285 230 I C -0.192 176.214 176.117 0.481 0.000 1.021 230 I CA -1.105 60.490 61.300 0.491 0.000 1.091 230 I CB 1.699 39.901 38.000 0.336 0.000 1.242 230 I HN 0.155 nan 8.210 nan 0.000 0.439 231 L N 6.801 128.113 121.223 0.148 0.000 2.462 231 L HA 0.040 4.396 4.340 0.025 0.000 0.272 231 L C 0.325 177.101 176.870 -0.156 0.000 1.166 231 L CA 0.843 55.395 54.840 -0.478 0.000 0.880 231 L CB 0.358 41.918 42.059 -0.832 0.000 1.142 231 L HN 0.739 nan 8.230 nan 0.000 0.473 232 W N 5.650 126.777 121.300 -0.287 0.000 2.726 232 W HA 0.467 5.145 4.660 0.029 0.000 0.285 232 W C -0.133 176.257 176.519 -0.215 0.000 1.110 232 W CA 0.780 58.054 57.345 -0.117 0.000 1.579 232 W CB 0.436 29.951 29.460 0.091 0.000 1.118 232 W HN 0.658 nan 8.180 nan 0.000 0.556 233 A N 0.656 123.436 122.820 -0.067 0.000 2.612 233 A HA 0.535 4.870 4.320 0.025 0.000 0.293 233 A C -1.596 175.761 177.584 -0.379 0.000 1.075 233 A CA -0.606 51.289 52.037 -0.237 0.000 0.680 233 A CB 1.451 20.396 19.000 -0.092 0.000 1.279 233 A HN 0.137 nan 8.150 nan 0.000 0.411 234 E N -0.173 119.707 120.200 -0.533 0.000 2.248 234 E HA 0.526 4.891 4.350 0.025 0.000 0.267 234 E C -2.068 174.149 176.600 -0.638 0.000 0.877 234 E CA -0.359 55.775 56.400 -0.443 0.000 0.759 234 E CB 2.205 31.726 29.700 -0.298 0.000 1.182 234 E HN 0.520 nan 8.360 nan 0.000 0.418 235 Y N 1.921 122.160 120.300 -0.102 0.000 2.787 235 Y HA 0.204 4.771 4.550 0.028 0.000 0.352 235 Y C -1.741 174.155 175.900 -0.006 0.000 1.027 235 Y CA -1.916 56.168 58.100 -0.028 0.000 1.219 235 Y CB 1.046 39.512 38.460 0.009 0.000 1.110 235 Y HN 0.456 nan 8.280 nan 0.000 0.614 236 P HA -0.162 nan 4.420 nan 0.000 0.222 236 P C 0.459 177.671 177.300 -0.146 0.000 1.147 236 P CA 1.661 64.654 63.100 -0.177 0.000 0.790 236 P CB 0.482 31.934 31.700 -0.413 0.000 0.780 237 H N -2.872 116.322 119.070 0.205 0.000 2.487 237 H HA 0.118 4.689 4.556 0.025 0.000 0.290 237 H C 0.017 175.491 175.328 0.243 0.000 1.081 237 H CA -1.326 54.832 56.048 0.183 0.000 1.116 237 H CB -0.907 28.932 29.762 0.130 0.000 1.560 237 H HN 0.162 nan 8.280 nan 0.000 0.548 238 W N 2.718 124.125 121.300 0.180 0.000 2.385 238 W HA -0.012 4.661 4.660 0.022 0.000 0.336 238 W C 0.491 177.084 176.519 0.124 0.000 1.351 238 W CA 0.422 57.851 57.345 0.139 0.000 1.295 238 W CB 0.484 30.022 29.460 0.131 0.000 1.239 238 W HN 0.184 nan 8.180 nan 0.000 0.565 239 E N 3.404 123.410 120.200 -0.324 0.000 2.603 239 E HA 0.245 4.610 4.350 0.025 0.000 0.211 239 E C 1.196 177.385 176.600 -0.685 0.000 0.995 239 E CA 0.408 56.575 56.400 -0.388 0.000 0.990 239 E CB 0.478 30.090 29.700 -0.148 0.000 1.036 239 E HN 0.816 nan 8.360 nan 0.000 0.475 240 G N 1.739 109.661 108.800 -1.462 0.000 2.154 240 G HA2 -0.209 3.766 3.960 0.025 0.000 0.186 240 G HA3 -0.209 3.766 3.960 0.025 0.000 0.186 240 G C -0.072 174.667 174.900 -0.269 0.000 1.000 240 G CA -0.506 43.968 45.100 -1.043 0.000 0.664 240 G HN 0.183 nan 8.290 nan 0.000 0.513 241 E N -0.004 120.115 120.200 -0.135 0.000 2.438 241 E HA 0.437 4.802 4.350 0.025 0.000 0.261 241 E C 1.317 178.088 176.600 0.285 0.000 1.103 241 E CA -0.211 56.264 56.400 0.126 0.000 0.959 241 E CB 0.669 30.442 29.700 0.121 0.000 0.958 241 E HN 0.428 nan 8.360 nan 0.000 0.447 242 I N 1.840 122.515 120.570 0.175 0.000 2.948 242 I HA -0.160 4.025 4.170 0.025 0.000 0.303 242 I C 0.131 176.293 176.117 0.076 0.000 1.224 242 I CA 0.877 62.268 61.300 0.151 0.000 1.442 242 I CB 0.078 38.167 38.000 0.148 0.000 1.328 242 I HN 0.275 nan 8.210 nan 0.000 0.578 243 I N 7.344 127.903 120.570 -0.019 0.000 2.336 243 I HA 0.450 4.635 4.170 0.025 0.000 0.292 243 I C 0.051 176.100 176.117 -0.113 0.000 0.991 243 I CA -0.481 60.686 61.300 -0.222 0.000 1.227 243 I CB 0.897 38.641 38.000 -0.427 0.000 1.366 243 I HN 0.559 nan 8.210 nan 0.000 0.466 244 R N 4.506 124.892 120.500 -0.191 0.000 2.808 244 R HA 0.497 4.852 4.340 0.025 0.000 0.272 244 R C -1.447 174.657 176.300 -0.326 0.000 0.995 244 R CA -0.881 55.131 56.100 -0.147 0.000 0.917 244 R CB 1.962 32.150 30.300 -0.188 0.000 1.217 244 R HN 0.310 nan 8.270 nan 0.000 0.471 245 F N 1.882 121.662 119.950 -0.283 0.000 2.451 245 F HA 0.204 4.745 4.527 0.023 0.000 0.356 245 F C 0.499 176.264 175.800 -0.057 0.000 1.178 245 F CA -0.092 57.672 58.000 -0.394 0.000 1.210 245 F CB 0.468 38.948 39.000 -0.866 0.000 1.504 245 F HN 0.196 nan 8.300 nan 0.000 0.598 246 E N 1.305 121.676 120.200 0.286 0.000 2.313 246 E HA 0.428 4.793 4.350 0.025 0.000 0.272 246 E C 0.190 177.002 176.600 0.353 0.000 1.038 246 E CA -0.482 56.059 56.400 0.235 0.000 0.863 246 E CB 1.434 31.251 29.700 0.194 0.000 1.060 246 E HN 0.496 nan 8.360 nan 0.000 0.402 247 T N -2.063 112.615 114.554 0.207 0.000 2.888 247 T HA 0.174 4.539 4.350 0.025 0.000 0.288 247 T C 0.956 175.701 174.700 0.074 0.000 1.063 247 T CA -0.866 61.312 62.100 0.129 0.000 1.010 247 T CB 1.620 70.569 68.868 0.136 0.000 1.214 247 T HN 0.589 nan 8.240 nan 0.000 0.533 248 E N 0.042 120.257 120.200 0.026 0.000 2.118 248 E HA -0.223 4.143 4.350 0.025 0.000 0.195 248 E C 1.551 178.184 176.600 0.055 0.000 0.992 248 E CA 1.456 57.871 56.400 0.026 0.000 0.804 248 E CB 0.016 29.713 29.700 -0.005 0.000 0.741 248 E HN 0.621 nan 8.360 nan 0.000 0.458 249 E N -0.061 120.180 120.200 0.068 0.000 2.072 249 E HA -0.144 4.221 4.350 0.025 0.000 0.191 249 E C 2.356 179.046 176.600 0.150 0.000 0.985 249 E CA 1.753 58.210 56.400 0.095 0.000 0.801 249 E CB -0.645 29.110 29.700 0.092 0.000 0.750 249 E HN 0.523 nan 8.360 nan 0.000 0.452 250 T N -0.292 114.362 114.554 0.167 0.000 2.821 250 T HA -0.080 4.285 4.350 0.025 0.000 0.267 250 T C 1.877 176.720 174.700 0.237 0.000 1.046 250 T CA 0.621 62.873 62.100 0.253 0.000 1.139 250 T CB -0.023 68.894 68.868 0.082 0.000 0.871 250 T HN -0.046 nan 8.240 nan 0.000 0.454 251 R N 1.308 121.898 120.500 0.149 0.000 2.096 251 R HA 0.060 4.415 4.340 0.025 0.000 0.235 251 R C 2.561 178.924 176.300 0.104 0.000 1.127 251 R CA 1.300 57.473 56.100 0.122 0.000 0.968 251 R CB -0.512 29.842 30.300 0.090 0.000 0.861 251 R HN 0.525 nan 8.270 nan 0.000 0.440 252 K N 0.765 121.220 120.400 0.092 0.000 2.097 252 K HA -0.046 4.289 4.320 0.025 0.000 0.205 252 K C 2.155 178.795 176.600 0.067 0.000 1.050 252 K CA 0.784 57.112 56.287 0.067 0.000 0.938 252 K CB -0.004 32.530 32.500 0.057 0.000 0.718 252 K HN 0.094 nan 8.250 nan 0.000 0.442 253 L N 0.991 122.266 121.223 0.087 0.000 2.044 253 L HA -0.154 4.202 4.340 0.025 0.000 0.205 253 L C 2.068 178.968 176.870 0.050 0.000 1.075 253 L CA 1.554 56.426 54.840 0.053 0.000 0.747 253 L CB -0.291 41.760 42.059 -0.014 0.000 0.903 253 L HN 0.329 nan 8.230 nan 0.000 0.435 254 E N 0.172 120.432 120.200 0.101 0.000 2.118 254 E HA -0.256 4.109 4.350 0.025 0.000 0.195 254 E C 1.948 178.603 176.600 0.090 0.000 0.992 254 E CA 1.721 58.194 56.400 0.121 0.000 0.804 254 E CB -0.144 29.662 29.700 0.177 0.000 0.741 254 E HN 0.670 nan 8.360 nan 0.000 0.458 255 I N -1.112 119.502 120.570 0.074 0.000 3.564 255 I HA -0.006 4.179 4.170 0.025 0.000 0.294 255 I C 2.111 178.248 176.117 0.033 0.000 1.289 255 I CA 0.629 61.961 61.300 0.054 0.000 1.325 255 I CB -0.003 38.025 38.000 0.047 0.000 1.039 255 I HN -0.084 nan 8.210 nan 0.000 0.474 256 S N 0.533 116.248 115.700 0.025 0.000 2.453 256 S HA 0.286 4.771 4.470 0.025 0.000 0.231 256 S C 1.005 175.591 174.600 -0.024 0.000 1.005 256 S CA 0.324 58.517 58.200 -0.011 0.000 0.949 256 S CB -0.410 62.773 63.200 -0.028 0.000 0.774 256 S HN 0.641 nan 8.310 nan 0.000 0.510 257 G N -0.155 108.653 108.800 0.014 0.000 2.721 257 G HA2 0.593 4.568 3.960 0.025 0.000 0.296 257 G HA3 0.593 4.568 3.960 0.025 0.000 0.296 257 G C -1.172 173.772 174.900 0.074 0.000 1.383 257 G CA -1.147 43.969 45.100 0.027 0.000 0.788 257 G HN 0.252 nan 8.290 nan 0.000 0.500 258 M N 2.261 121.922 119.600 0.101 0.000 2.233 258 M HA 0.254 4.750 4.480 0.025 0.000 0.350 258 M C -1.989 174.393 176.300 0.136 0.000 1.176 258 M CA -1.352 54.018 55.300 0.116 0.000 1.150 258 M CB 1.392 34.073 32.600 0.136 0.000 1.530 258 M HN 0.232 nan 8.290 nan 0.000 0.459 259 P HA -0.058 nan 4.420 nan 0.000 0.268 259 P C 0.399 177.793 177.300 0.157 0.000 1.205 259 P CA -0.223 62.958 63.100 0.134 0.000 0.771 259 P CB 0.612 32.375 31.700 0.106 0.000 0.858 260 L N 3.890 125.219 121.223 0.177 0.000 2.079 260 L HA -0.098 4.257 4.340 0.025 0.000 0.210 260 L C 2.455 179.464 176.870 0.230 0.000 1.081 260 L CA 2.436 57.418 54.840 0.236 0.000 0.752 260 L CB -1.689 40.467 42.059 0.160 0.000 0.896 260 L HN 0.582 nan 8.230 nan 0.000 0.433 261 G N -1.792 107.086 108.800 0.130 0.000 2.471 261 G HA2 -0.215 3.760 3.960 0.025 0.000 0.219 261 G HA3 -0.215 3.760 3.960 0.025 0.000 0.219 261 G C 1.134 176.076 174.900 0.070 0.000 1.125 261 G CA 0.712 45.866 45.100 0.089 0.000 0.775 261 G HN 0.385 nan 8.290 nan 0.000 0.548 262 D N -0.102 120.346 120.400 0.080 0.000 2.348 262 D HA 0.091 4.746 4.640 0.025 0.000 0.211 262 D C 2.384 178.733 176.300 0.081 0.000 0.998 262 D CA 0.176 54.211 54.000 0.060 0.000 0.873 262 D CB 0.298 41.128 40.800 0.050 0.000 0.925 262 D HN 0.320 nan 8.370 nan 0.000 0.524 263 L N -1.286 119.966 121.223 0.050 0.000 2.408 263 L HA 0.179 4.535 4.340 0.025 0.000 0.215 263 L C 0.039 176.620 176.870 -0.483 0.000 1.081 263 L CA 0.409 55.142 54.840 -0.179 0.000 0.840 263 L CB 0.267 42.221 42.059 -0.175 0.000 1.002 263 L HN -0.148 nan 8.230 nan 0.000 0.468 264 F N -1.697 118.215 119.950 -0.063 0.000 2.563 264 F HA 0.403 4.947 4.527 0.029 0.000 0.316 264 F C 0.301 176.003 175.800 -0.164 0.000 1.076 264 F CA -1.027 56.919 58.000 -0.089 0.000 0.921 264 F CB 1.058 40.050 39.000 -0.014 0.000 1.209 264 F HN -0.132 nan 8.300 nan 0.000 0.462 265 H N 3.699 122.874 119.070 0.176 0.000 2.767 265 H HA 0.339 4.909 4.556 0.023 0.000 0.316 265 H C -0.294 175.069 175.328 0.057 0.000 1.059 265 H CA 0.323 56.424 56.048 0.087 0.000 1.461 265 H CB 0.890 30.674 29.762 0.038 0.000 1.475 265 H HN 0.413 nan 8.280 nan 0.000 0.531 266 I N 5.048 125.697 120.570 0.131 0.000 2.330 266 I HA 0.262 4.447 4.170 0.025 0.000 0.289 266 I C 0.345 176.511 176.117 0.081 0.000 1.001 266 I CA -0.535 60.797 61.300 0.054 0.000 1.193 266 I CB 0.685 38.681 38.000 -0.007 0.000 1.345 266 I HN 0.282 nan 8.210 nan 0.000 0.461 267 R N 4.782 125.294 120.500 0.020 0.000 2.854 267 R HA 0.570 4.926 4.340 0.025 0.000 0.271 267 R C -1.234 175.182 176.300 0.193 0.000 0.996 267 R CA -0.969 55.158 56.100 0.045 0.000 0.961 267 R CB 2.439 32.602 30.300 -0.227 0.000 1.182 267 R HN 0.346 nan 8.270 nan 0.000 0.479 268 F N 0.262 120.287 119.950 0.126 0.000 2.483 268 F HA 0.569 5.167 4.527 0.118 0.000 0.329 268 F C 0.296 176.280 175.800 0.306 0.000 1.064 268 F CA -0.586 57.494 58.000 0.134 0.000 0.986 268 F CB 1.514 40.502 39.000 -0.019 0.000 1.218 268 F HN 0.674 nan 8.300 nan 0.000 0.484 269 A N 2.385 125.252 122.820 0.077 0.000 2.466 269 A HA 0.491 4.826 4.320 0.025 0.000 0.238 269 A C -0.043 177.791 177.584 0.417 0.000 1.074 269 A CA -0.018 52.223 52.037 0.339 0.000 0.774 269 A CB -0.586 18.598 19.000 0.306 0.000 1.015 269 A HN 1.147 nan 8.150 nan 0.000 0.498 270 A N 2.168 125.233 122.820 0.409 0.000 2.507 270 A HA 0.428 4.763 4.320 0.025 0.000 0.235 270 A C 0.647 178.471 177.584 0.401 0.000 1.070 270 A CA -0.017 52.181 52.037 0.269 0.000 0.768 270 A CB 0.011 19.006 19.000 -0.009 0.000 1.011 270 A HN 0.787 nan 8.150 nan 0.000 0.502 271 R N 1.247 121.912 120.500 0.275 0.000 2.532 271 R HA 0.298 4.653 4.340 0.025 0.000 0.272 271 R C 1.756 178.255 176.300 0.333 0.000 1.032 271 R CA 0.036 56.311 56.100 0.291 0.000 1.089 271 R CB 0.265 30.682 30.300 0.195 0.000 1.098 271 R HN 0.972 nan 8.270 nan 0.000 0.526 272 S N 1.051 116.920 115.700 0.282 0.000 2.372 272 S HA -0.134 4.351 4.470 0.025 0.000 0.227 272 S C -1.012 173.728 174.600 0.233 0.000 1.044 272 S CA 1.285 59.640 58.200 0.258 0.000 1.050 272 S CB -1.073 62.216 63.200 0.148 0.000 0.901 272 S HN 0.445 nan 8.310 nan 0.000 0.447 273 P HA 0.010 nan 4.420 nan 0.000 0.220 273 P C 1.277 178.645 177.300 0.113 0.000 1.148 273 P CA 1.180 64.355 63.100 0.124 0.000 0.803 273 P CB -0.134 31.623 31.700 0.095 0.000 0.782 274 E N -1.348 118.906 120.200 0.090 0.000 2.077 274 E HA -0.160 4.205 4.350 0.025 0.000 0.193 274 E C 1.700 178.287 176.600 -0.023 0.000 0.989 274 E CA 1.033 57.429 56.400 -0.006 0.000 0.800 274 E CB -0.569 29.061 29.700 -0.116 0.000 0.746 274 E HN 0.237 nan 8.360 nan 0.000 0.452 275 F N 1.596 121.589 119.950 0.072 0.000 2.075 275 F HA -0.139 4.395 4.527 0.013 0.000 0.297 275 F C 2.306 178.157 175.800 0.086 0.000 1.113 275 F CA 1.278 59.312 58.000 0.056 0.000 1.218 275 F CB -0.234 38.776 39.000 0.016 0.000 0.984 275 F HN -0.162 nan 8.300 nan 0.000 0.472 276 K N 0.348 120.907 120.400 0.263 0.000 2.113 276 K HA -0.222 4.113 4.320 0.025 0.000 0.208 276 K C 1.887 178.568 176.600 0.135 0.000 1.047 276 K CA 1.849 58.239 56.287 0.171 0.000 0.928 276 K CB -0.233 32.346 32.500 0.131 0.000 0.716 276 K HN 0.356 nan 8.250 nan 0.000 0.446 277 K N -0.098 120.375 120.400 0.122 0.000 2.361 277 K HA -0.021 4.314 4.320 0.025 0.000 0.194 277 K C 0.216 176.863 176.600 0.077 0.000 1.032 277 K CA 0.053 56.389 56.287 0.081 0.000 1.048 277 K CB -0.071 32.462 32.500 0.055 0.000 0.842 277 K HN 0.044 nan 8.250 nan 0.000 0.526 278 H N 3.477 122.564 119.070 0.029 0.000 3.070 278 H HA 0.036 4.607 4.556 0.025 0.000 0.313 278 H C -1.570 173.778 175.328 0.033 0.000 0.997 278 H CA -1.010 55.047 56.048 0.014 0.000 1.438 278 H CB 1.221 30.978 29.762 -0.008 0.000 1.455 278 H HN 0.029 nan 8.280 nan 0.000 0.575 279 P HA -0.108 nan 4.420 nan 0.000 0.226 279 P C 0.566 177.878 177.300 0.020 0.000 1.153 279 P CA 1.247 64.275 63.100 -0.120 0.000 0.777 279 P CB 0.232 31.824 31.700 -0.179 0.000 0.794 280 A N -0.411 122.525 122.820 0.193 0.000 2.218 280 A HA 0.169 4.504 4.320 0.025 0.000 0.209 280 A C 1.059 178.772 177.584 0.215 0.000 1.168 280 A CA 0.182 52.360 52.037 0.234 0.000 0.804 280 A CB -0.413 18.769 19.000 0.304 0.000 0.834 280 A HN 0.053 nan 8.150 nan 0.000 0.482 281 V N 1.915 121.979 119.914 0.249 0.000 2.546 281 V HA 0.381 4.516 4.120 0.025 0.000 0.284 281 V C 0.069 176.263 176.094 0.166 0.000 1.050 281 V CA -0.487 61.939 62.300 0.211 0.000 0.981 281 V CB 1.023 33.000 31.823 0.257 0.000 0.990 281 V HN 0.427 nan 8.190 nan 0.000 0.474 282 R N 3.341 123.951 120.500 0.183 0.000 2.854 282 R HA 0.532 4.888 4.340 0.025 0.000 0.271 282 R C -0.042 176.406 176.300 0.247 0.000 0.994 282 R CA -0.870 55.327 56.100 0.161 0.000 0.945 282 R CB 1.533 31.896 30.300 0.105 0.000 1.194 282 R HN 0.470 nan 8.270 nan 0.000 0.476 283 K N 0.683 121.194 120.400 0.185 0.000 2.372 283 K HA 0.215 4.550 4.320 0.025 0.000 0.200 283 K C -0.303 176.425 176.600 0.212 0.000 1.022 283 K CA 0.043 56.480 56.287 0.249 0.000 1.125 283 K CB 0.652 33.238 32.500 0.143 0.000 0.855 283 K HN 0.395 nan 8.250 nan 0.000 0.524 284 E N 0.759 120.932 120.200 -0.045 0.000 2.356 284 E HA 0.306 4.671 4.350 0.025 0.000 0.275 284 E C -2.772 173.202 176.600 -1.043 0.000 0.904 284 E CA -2.382 53.707 56.400 -0.519 0.000 0.757 284 E CB 2.376 31.914 29.700 -0.270 0.000 1.232 284 E HN -0.201 nan 8.360 nan 0.000 0.442 285 P HA 0.434 nan 4.420 nan 0.000 0.271 285 P C -0.380 176.551 177.300 -0.613 0.000 1.233 285 P CA -0.181 62.045 63.100 -1.458 0.000 0.789 285 P CB 0.820 31.905 31.700 -1.025 0.000 0.951 286 G N -0.281 108.288 108.800 -0.386 0.000 2.368 286 G HA2 0.438 4.414 3.960 0.025 0.000 0.293 286 G HA3 0.438 4.414 3.960 0.025 0.000 0.293 286 G C -3.325 171.509 174.900 -0.110 0.000 1.467 286 G CA -0.870 44.109 45.100 -0.201 0.000 0.804 286 G HN 0.370 nan 8.290 nan 0.000 0.535 287 P HA 0.387 nan 4.420 nan 0.000 0.275 287 P C 1.024 178.308 177.300 -0.026 0.000 1.227 287 P CA 1.326 64.401 63.100 -0.041 0.000 0.781 287 P CB 1.243 32.923 31.700 -0.033 0.000 0.906 288 G N 1.809 110.600 108.800 -0.014 0.000 2.184 288 G HA2 -0.230 3.745 3.960 0.025 0.000 0.264 288 G HA3 -0.230 3.745 3.960 0.025 0.000 0.264 288 G C -0.094 174.801 174.900 -0.008 0.000 0.975 288 G CA 0.008 45.101 45.100 -0.011 0.000 0.642 288 G HN 0.493 nan 8.290 nan 0.000 0.536 289 L N 0.302 121.530 121.223 0.008 0.000 2.307 289 L HA 0.758 5.113 4.340 0.025 0.000 0.282 289 L C 0.211 177.169 176.870 0.147 0.000 1.051 289 L CA -1.055 53.822 54.840 0.063 0.000 0.804 289 L CB 1.855 43.947 42.059 0.055 0.000 1.197 289 L HN -0.046 nan 8.230 nan 0.000 0.431 290 V N 3.868 123.854 119.914 0.119 0.000 2.680 290 V HA 0.467 4.602 4.120 0.025 0.000 0.309 290 V C -2.120 173.963 176.094 -0.019 0.000 1.052 290 V CA -1.901 60.419 62.300 0.033 0.000 0.908 290 V CB 2.881 34.474 31.823 -0.384 0.000 1.001 290 V HN 0.588 nan 8.190 nan 0.000 0.431 291 P HA 0.091 nan 4.420 nan 0.000 0.268 291 P C -0.561 176.476 177.300 -0.439 0.000 1.205 291 P CA 0.129 62.889 63.100 -0.566 0.000 0.771 291 P CB 0.500 31.913 31.700 -0.478 0.000 0.858 292 V N 4.618 124.191 119.914 -0.569 0.000 2.439 292 V HA 0.054 4.189 4.120 0.025 0.000 0.271 292 V C 0.856 176.614 176.094 -0.560 0.000 1.040 292 V CA -0.036 61.900 62.300 -0.607 0.000 1.002 292 V CB -0.409 30.940 31.823 -0.790 0.000 1.000 292 V HN 0.325 nan 8.190 nan 0.000 0.477 293 L N 5.547 126.408 121.223 -0.603 0.000 2.395 293 L HA 0.586 4.941 4.340 0.025 0.000 0.269 293 L C 0.815 177.493 176.870 -0.320 0.000 1.133 293 L CA -0.080 54.386 54.840 -0.623 0.000 0.812 293 L CB 1.324 42.593 42.059 -1.316 0.000 1.125 293 L HN 0.816 nan 8.230 nan 0.000 0.452 294 T N -2.229 112.222 114.554 -0.171 0.000 2.762 294 T HA 0.366 4.731 4.350 0.025 0.000 0.272 294 T C 1.090 175.829 174.700 0.065 0.000 0.982 294 T CA -0.112 61.983 62.100 -0.008 0.000 1.013 294 T CB 1.249 70.083 68.868 -0.056 0.000 1.309 294 T HN 0.599 nan 8.240 nan 0.000 0.572 295 G N -0.215 108.605 108.800 0.033 0.000 2.479 295 G HA2 -0.148 3.827 3.960 0.025 0.000 0.220 295 G HA3 -0.148 3.827 3.960 0.025 0.000 0.220 295 G C 1.442 176.267 174.900 -0.126 0.000 1.115 295 G CA 0.199 45.292 45.100 -0.011 0.000 0.757 295 G HN 0.748 nan 8.290 nan 0.000 0.560 296 R N -0.148 120.200 120.500 -0.254 0.000 2.280 296 R HA 0.044 4.399 4.340 0.025 0.000 0.207 296 R C 1.595 177.634 176.300 -0.435 0.000 1.043 296 R CA 0.879 56.690 56.100 -0.481 0.000 1.006 296 R CB -0.148 29.567 30.300 -0.975 0.000 0.885 296 R HN 0.375 nan 8.270 nan 0.000 0.467 297 N N 0.064 118.602 118.700 -0.270 0.000 2.373 297 N HA -0.008 4.748 4.740 0.025 0.000 0.181 297 N C -0.379 174.950 175.510 -0.302 0.000 1.082 297 N CA 0.041 52.931 53.050 -0.268 0.000 0.885 297 N CB 0.365 38.642 38.487 -0.351 0.000 0.977 297 N HN -0.026 nan 8.380 nan 0.000 0.462 298 L N 1.117 122.237 121.223 -0.171 0.000 2.264 298 L HA 0.412 4.767 4.340 0.025 0.000 0.289 298 L C -0.732 175.926 176.870 -0.352 0.000 1.044 298 L CA -0.242 54.492 54.840 -0.176 0.000 0.807 298 L CB 0.632 42.666 42.059 -0.041 0.000 1.192 298 L HN -0.172 nan 8.230 nan 0.000 0.425 299 K N 5.135 125.208 120.400 -0.545 0.000 2.352 299 K HA 0.643 4.978 4.320 0.025 0.000 0.240 299 K C -2.578 173.821 176.600 -0.336 0.000 1.017 299 K CA -1.948 54.002 56.287 -0.562 0.000 0.851 299 K CB 1.106 32.942 32.500 -1.108 0.000 1.261 299 K HN 0.289 nan 8.250 nan 0.000 0.451 300 P HA 0.084 nan 4.420 nan 0.000 0.263 300 P C 0.205 177.551 177.300 0.077 0.000 1.247 300 P CA 0.684 63.761 63.100 -0.038 0.000 0.876 300 P CB 0.148 31.847 31.700 -0.000 0.000 0.928 301 G N 1.834 110.675 108.800 0.070 0.000 2.176 301 G HA2 -0.140 3.835 3.960 0.025 0.000 0.232 301 G HA3 -0.140 3.835 3.960 0.025 0.000 0.232 301 G C -0.409 174.681 174.900 0.317 0.000 0.986 301 G CA -0.152 45.056 45.100 0.180 0.000 0.643 301 G HN 0.585 nan 8.290 nan 0.000 0.522 302 W N -0.806 120.505 121.300 0.018 0.000 3.146 302 W HA 0.701 5.381 4.660 0.034 0.000 0.319 302 W C -1.258 175.234 176.519 -0.044 0.000 1.258 302 W CA -1.251 56.102 57.345 0.014 0.000 1.189 302 W CB 0.820 30.290 29.460 0.017 0.000 1.412 302 W HN 0.419 nan 8.180 nan 0.000 0.567 303 V N 2.393 122.300 119.914 -0.011 0.000 2.417 303 V HA 0.132 4.267 4.120 0.025 0.000 0.291 303 V C -0.265 175.591 176.094 -0.396 0.000 1.024 303 V CA -0.279 61.770 62.300 -0.418 0.000 0.861 303 V CB 1.392 32.796 31.823 -0.698 0.000 0.985 303 V HN 0.486 nan 8.190 nan 0.000 0.436 304 D N 3.052 123.177 120.400 -0.458 0.000 2.352 304 D HA 0.149 4.804 4.640 0.025 0.000 0.245 304 D C 0.134 176.233 176.300 -0.335 0.000 1.224 304 D CA 0.120 54.030 54.000 -0.149 0.000 0.879 304 D CB 0.798 41.555 40.800 -0.070 0.000 1.057 304 D HN 0.526 nan 8.370 nan 0.000 0.491 305 Y N 1.706 121.947 120.300 -0.100 0.000 2.511 305 Y HA 0.067 4.634 4.550 0.027 0.000 0.279 305 Y C 1.972 177.842 175.900 -0.050 0.000 1.157 305 Y CA 0.104 58.060 58.100 -0.240 0.000 1.300 305 Y CB 0.518 38.734 38.460 -0.406 0.000 1.052 305 Y HN 0.390 nan 8.280 nan 0.000 0.529 306 E N 0.112 120.384 120.200 0.120 0.000 2.201 306 E HA 0.024 4.390 4.350 0.025 0.000 0.193 306 E C 0.368 176.999 176.600 0.051 0.000 0.957 306 E CA 0.357 56.828 56.400 0.119 0.000 0.858 306 E CB 0.108 29.880 29.700 0.120 0.000 0.816 306 E HN 0.098 nan 8.360 nan 0.000 0.475 307 K N 2.193 122.584 120.400 -0.015 0.000 2.322 307 K HA 0.108 4.443 4.320 0.025 0.000 0.283 307 K C 0.017 176.436 176.600 -0.303 0.000 1.042 307 K CA -0.108 56.095 56.287 -0.140 0.000 0.958 307 K CB 0.481 32.906 32.500 -0.124 0.000 0.984 307 K HN -0.091 nan 8.250 nan 0.000 0.473 308 N N 2.595 121.066 118.700 -0.381 0.000 2.425 308 N HA 0.099 4.854 4.740 0.025 0.000 0.268 308 N C -0.419 174.736 175.510 -0.591 0.000 0.991 308 N CA -0.118 52.627 53.050 -0.509 0.000 0.931 308 N CB 0.581 38.678 38.487 -0.651 0.000 1.130 308 N HN 0.609 nan 8.380 nan 0.000 0.493 309 H N 0.817 119.729 119.070 -0.262 0.000 2.986 309 H HA 0.085 4.657 4.556 0.027 0.000 0.267 309 H C 1.151 176.365 175.328 -0.190 0.000 1.072 309 H CA 0.302 56.242 56.048 -0.181 0.000 1.202 309 H CB 0.721 30.392 29.762 -0.151 0.000 1.535 309 H HN 0.621 nan 8.280 nan 0.000 0.522 310 S N -0.641 114.942 115.700 -0.195 0.000 2.503 310 S HA 0.173 4.658 4.470 0.025 0.000 0.215 310 S C 1.823 176.308 174.600 -0.191 0.000 1.003 310 S CA 0.524 58.605 58.200 -0.198 0.000 0.910 310 S CB 0.416 63.439 63.200 -0.296 0.000 0.790 310 S HN 0.447 nan 8.310 nan 0.000 0.514 311 G N 1.099 109.743 108.800 -0.261 0.000 2.155 311 G HA2 -0.229 3.747 3.960 0.025 0.000 0.257 311 G HA3 -0.229 3.747 3.960 0.025 0.000 0.257 311 G C -0.145 174.701 174.900 -0.089 0.000 0.983 311 G CA 0.682 45.712 45.100 -0.116 0.000 0.676 311 G HN 0.573 nan 8.290 nan 0.000 0.528 312 L N -0.920 120.085 121.223 -0.364 0.000 2.362 312 L HA 0.771 5.126 4.340 0.025 0.000 0.271 312 L C -0.125 176.512 176.870 -0.389 0.000 1.002 312 L CA -1.209 53.520 54.840 -0.186 0.000 0.818 312 L CB 1.609 43.554 42.059 -0.190 0.000 1.298 312 L HN 0.107 nan 8.230 nan 0.000 0.420 313 W N 4.536 125.795 121.300 -0.069 0.000 3.022 313 W HA 0.679 5.359 4.660 0.033 0.000 0.335 313 W C -0.481 176.008 176.519 -0.050 0.000 1.133 313 W CA -0.651 56.649 57.345 -0.076 0.000 1.219 313 W CB 2.414 31.840 29.460 -0.057 0.000 1.409 313 W HN 0.459 nan 8.180 nan 0.000 0.507 314 M N 1.506 121.190 119.600 0.140 0.000 2.644 314 M HA 0.560 5.055 4.480 0.025 0.000 0.273 314 M C -3.018 173.291 176.300 0.014 0.000 1.253 314 M CA -2.218 53.132 55.300 0.083 0.000 0.852 314 M CB 2.214 34.854 32.600 0.067 0.000 1.708 314 M HN -0.144 nan 8.290 nan 0.000 0.471 315 P HA 0.144 nan 4.420 nan 0.000 0.267 315 P C -0.233 177.017 177.300 -0.084 0.000 1.209 315 P CA -0.011 63.071 63.100 -0.031 0.000 0.763 315 P CB 0.770 32.469 31.700 -0.001 0.000 0.816 316 K N 3.703 124.009 120.400 -0.158 0.000 2.074 316 K HA -0.231 4.104 4.320 0.025 0.000 0.209 316 K C 1.583 178.124 176.600 -0.098 0.000 1.048 316 K CA 1.991 58.146 56.287 -0.220 0.000 0.926 316 K CB 0.047 32.367 32.500 -0.301 0.000 0.713 316 K HN 0.585 nan 8.250 nan 0.000 0.444 317 E N -0.291 119.877 120.200 -0.053 0.000 2.338 317 E HA -0.159 4.206 4.350 0.025 0.000 0.197 317 E C 1.547 178.147 176.600 -0.001 0.000 1.007 317 E CA 0.556 56.949 56.400 -0.012 0.000 0.849 317 E CB 0.017 29.716 29.700 -0.002 0.000 0.774 317 E HN 0.145 nan 8.360 nan 0.000 0.506 318 R N 0.304 120.799 120.500 -0.009 0.000 2.297 318 R HA 0.192 4.547 4.340 0.025 0.000 0.197 318 R C 2.052 178.323 176.300 -0.047 0.000 0.943 318 R CA 0.735 56.834 56.100 -0.001 0.000 1.038 318 R CB 0.039 30.359 30.300 0.034 0.000 0.957 318 R HN 0.289 nan 8.270 nan 0.000 0.484 319 A N 2.491 125.291 122.820 -0.033 0.000 1.933 319 A HA -0.227 4.108 4.320 0.025 0.000 0.218 319 A C 2.052 179.690 177.584 0.090 0.000 1.175 319 A CA 1.652 53.689 52.037 0.001 0.000 0.628 319 A CB -0.298 18.686 19.000 -0.026 0.000 0.814 319 A HN 0.386 nan 8.150 nan 0.000 0.444 320 K N 0.021 120.450 120.400 0.048 0.000 2.280 320 K HA -0.146 4.189 4.320 0.025 0.000 0.202 320 K C 1.320 177.874 176.600 -0.077 0.000 1.047 320 K CA 1.584 57.861 56.287 -0.016 0.000 0.942 320 K CB -0.310 32.185 32.500 -0.007 0.000 0.739 320 K HN 0.572 nan 8.250 nan 0.000 0.457 321 E N 0.774 120.935 120.200 -0.065 0.000 2.204 321 E HA -0.124 4.241 4.350 0.025 0.000 0.194 321 E C 1.734 178.259 176.600 -0.125 0.000 0.989 321 E CA 0.924 57.288 56.400 -0.059 0.000 0.824 321 E CB -0.063 29.653 29.700 0.027 0.000 0.756 321 E HN 0.276 nan 8.360 nan 0.000 0.477 322 L N -0.223 120.877 121.223 -0.205 0.000 2.130 322 L HA 0.033 4.389 4.340 0.025 0.000 0.200 322 L C 0.741 177.428 176.870 -0.305 0.000 1.075 322 L CA 0.860 55.543 54.840 -0.263 0.000 0.768 322 L CB 0.312 42.120 42.059 -0.418 0.000 0.933 322 L HN -0.140 nan 8.230 nan 0.000 0.451 323 R N 0.255 120.483 120.500 -0.454 0.000 2.514 323 R HA 0.141 4.496 4.340 0.025 0.000 0.296 323 R C -0.044 175.773 176.300 -0.804 0.000 1.012 323 R CA -0.411 55.138 56.100 -0.919 0.000 0.897 323 R CB 1.340 30.426 30.300 -2.024 0.000 1.184 323 R HN 0.119 nan 8.270 nan 0.000 0.440 324 D N 2.798 122.903 120.400 -0.492 0.000 2.172 324 D HA -0.253 4.403 4.640 0.025 0.000 0.196 324 D C 1.322 177.476 176.300 -0.244 0.000 0.999 324 D CA 1.647 55.488 54.000 -0.266 0.000 0.856 324 D CB -0.380 40.342 40.800 -0.130 0.000 0.934 324 D HN 0.575 nan 8.370 nan 0.000 0.453 325 F N -0.852 118.954 119.950 -0.239 0.000 2.699 325 F HA 0.089 4.626 4.527 0.017 0.000 0.298 325 F C 1.484 177.218 175.800 -0.110 0.000 1.154 325 F CA -0.266 57.598 58.000 -0.228 0.000 1.457 325 F CB -1.093 37.699 39.000 -0.346 0.000 1.106 325 F HN -0.199 nan 8.300 nan 0.000 0.585 326 Y N 1.275 121.462 120.300 -0.188 0.000 2.497 326 Y HA 0.150 4.710 4.550 0.017 0.000 0.292 326 Y C 2.489 178.464 175.900 0.125 0.000 1.137 326 Y CA 0.006 58.137 58.100 0.052 0.000 1.285 326 Y CB -1.179 37.246 38.460 -0.058 0.000 0.991 326 Y HN 0.288 nan 8.280 nan 0.000 0.556 327 A N -0.986 121.956 122.820 0.204 0.000 2.167 327 A HA 0.036 4.371 4.320 0.025 0.000 0.214 327 A C 0.972 178.670 177.584 0.189 0.000 1.151 327 A CA 0.833 52.967 52.037 0.162 0.000 0.735 327 A CB -0.476 18.581 19.000 0.093 0.000 0.802 327 A HN 0.186 nan 8.150 nan 0.000 0.467 328 T N 1.931 116.631 114.554 0.243 0.000 2.792 328 T HA 0.492 4.857 4.350 0.025 0.000 0.280 328 T C -2.949 171.933 174.700 0.303 0.000 0.990 328 T CA -1.243 61.001 62.100 0.241 0.000 0.960 328 T CB 1.688 70.683 68.868 0.211 0.000 0.939 328 T HN -0.053 nan 8.240 nan 0.000 0.439 329 P HA 0.138 nan 4.420 nan 0.000 0.265 329 P C -0.413 176.710 177.300 -0.294 0.000 1.193 329 P CA 0.152 63.231 63.100 -0.034 0.000 0.765 329 P CB 0.279 32.075 31.700 0.160 0.000 0.823 330 H N 0.989 119.502 119.070 -0.928 0.000 2.967 330 H HA 0.338 4.908 4.556 0.022 0.000 0.318 330 H C -1.584 173.200 175.328 -0.907 0.000 1.375 330 H CA -1.133 54.343 56.048 -0.954 0.000 1.132 330 H CB 0.262 29.880 29.762 -0.240 0.000 1.848 330 H HN 0.202 nan 8.280 nan 0.000 0.524 331 L N 1.732 122.769 121.223 -0.309 0.000 2.367 331 L HA 0.391 4.746 4.340 0.025 0.000 0.275 331 L C -0.856 175.870 176.870 -0.239 0.000 1.129 331 L CA -0.047 54.711 54.840 -0.137 0.000 0.839 331 L CB 0.585 42.636 42.059 -0.012 0.000 1.133 331 L HN 0.449 nan 8.230 nan 0.000 0.453 332 V N 5.701 125.397 119.914 -0.362 0.000 2.555 332 V HA 0.620 4.755 4.120 0.025 0.000 0.302 332 V C -0.475 175.385 176.094 -0.390 0.000 1.038 332 V CA -0.677 61.291 62.300 -0.554 0.000 0.887 332 V CB 1.908 33.204 31.823 -0.878 0.000 0.991 332 V HN 0.573 nan 8.190 nan 0.000 0.434 333 V N 2.968 122.678 119.914 -0.340 0.000 2.588 333 V HA 0.747 4.882 4.120 0.025 0.000 0.304 333 V C 0.360 176.432 176.094 -0.036 0.000 1.042 333 V CA -0.751 61.460 62.300 -0.149 0.000 0.877 333 V CB 1.917 33.682 31.823 -0.097 0.000 0.996 333 V HN 1.037 nan 8.190 nan 0.000 0.425 334 A N 1.709 124.517 122.820 -0.020 0.000 2.407 334 A HA 0.431 4.766 4.320 0.025 0.000 0.248 334 A C 0.548 178.276 177.584 0.240 0.000 1.082 334 A CA 0.302 52.351 52.037 0.021 0.000 0.785 334 A CB 0.056 19.041 19.000 -0.023 0.000 1.020 334 A HN 1.098 nan 8.150 nan 0.000 0.489 335 H N 0.584 119.698 119.070 0.073 0.000 2.615 335 H HA 0.191 4.703 4.556 -0.072 0.000 0.275 335 H C 0.153 175.645 175.328 0.272 0.000 0.981 335 H CA 1.573 57.742 56.048 0.202 0.000 1.252 335 H CB 0.687 30.455 29.762 0.011 0.000 1.447 335 H HN 0.478 nan 8.280 nan 0.000 0.498 336 T N 1.081 115.676 114.554 0.068 0.000 3.444 336 T HA 0.311 4.676 4.350 0.025 0.000 0.265 336 T C 0.092 174.742 174.700 -0.082 0.000 1.537 336 T CA -0.454 61.611 62.100 -0.058 0.000 1.530 336 T CB 0.157 69.018 68.868 -0.012 0.000 0.958 336 T HN 0.193 nan 8.240 nan 0.000 0.684 337 K N 1.382 121.737 120.400 -0.076 0.000 2.592 337 K HA 0.483 4.818 4.320 0.025 0.000 0.203 337 K C 1.016 177.564 176.600 -0.086 0.000 1.070 337 K CA -0.466 55.774 56.287 -0.079 0.000 1.062 337 K CB 1.126 33.589 32.500 -0.061 0.000 0.814 337 K HN 0.623 nan 8.250 nan 0.000 0.502 338 G N 0.677 109.403 108.800 -0.124 0.000 2.681 338 G HA2 -0.247 3.728 3.960 0.025 0.000 0.220 338 G HA3 -0.247 3.728 3.960 0.025 0.000 0.220 338 G C -0.367 174.492 174.900 -0.068 0.000 1.353 338 G CA -0.794 44.240 45.100 -0.110 0.000 0.872 338 G HN 0.073 nan 8.290 nan 0.000 0.557 339 T N 2.747 117.266 114.554 -0.058 0.000 2.992 339 T HA 0.563 4.929 4.350 0.025 0.000 0.299 339 T C 0.621 175.301 174.700 -0.034 0.000 1.027 339 T CA 0.728 62.806 62.100 -0.037 0.000 1.001 339 T CB -0.462 68.379 68.868 -0.044 0.000 1.005 339 T HN 0.813 nan 8.240 nan 0.000 0.599 340 R N 0.307 120.791 120.500 -0.026 0.000 2.741 340 R HA 0.603 4.958 4.340 0.025 0.000 0.274 340 R C -2.094 174.185 176.300 -0.035 0.000 1.029 340 R CA -1.017 55.061 56.100 -0.037 0.000 0.880 340 R CB 0.847 31.117 30.300 -0.049 0.000 1.264 340 R HN 0.116 nan 8.270 nan 0.000 0.465 341 V N 1.431 121.307 119.914 -0.063 0.000 2.349 341 V HA 0.372 4.507 4.120 0.025 0.000 0.284 341 V C -0.625 175.413 176.094 -0.094 0.000 1.014 341 V CA -0.717 61.534 62.300 -0.082 0.000 0.826 341 V CB 1.474 33.223 31.823 -0.123 0.000 1.009 341 V HN 0.478 nan 8.190 nan 0.000 0.431 342 V N 4.093 123.961 119.914 -0.077 0.000 2.409 342 V HA 0.906 5.041 4.120 0.025 0.000 0.291 342 V C 0.256 176.288 176.094 -0.103 0.000 1.020 342 V CA -0.306 61.941 62.300 -0.089 0.000 0.848 342 V CB 1.585 33.356 31.823 -0.088 0.000 0.990 342 V HN 0.943 nan 8.190 nan 0.000 0.430 343 A N 3.965 126.724 122.820 -0.101 0.000 2.475 343 A HA 1.055 5.390 4.320 0.025 0.000 0.301 343 A C -0.521 177.025 177.584 -0.063 0.000 1.059 343 A CA -0.172 51.802 52.037 -0.104 0.000 0.710 343 A CB 2.102 21.043 19.000 -0.097 0.000 1.288 343 A HN 1.580 nan 8.150 nan 0.000 0.408 344 A N 0.811 123.595 122.820 -0.060 0.000 2.606 344 A HA 0.676 5.011 4.320 0.025 0.000 0.293 344 A C -1.506 176.132 177.584 0.090 0.000 1.082 344 A CA -0.348 51.710 52.037 0.035 0.000 0.685 344 A CB 0.909 19.910 19.000 0.003 0.000 1.284 344 A HN 1.427 nan 8.150 nan 0.000 0.408 345 W N 2.642 123.943 121.300 0.002 0.000 2.316 345 W HA 0.357 5.034 4.660 0.029 0.000 0.308 345 W C -1.170 175.391 176.519 0.070 0.000 1.106 345 W CA 0.011 57.368 57.345 0.020 0.000 1.262 345 W CB 1.234 30.734 29.460 0.067 0.000 1.233 345 W HN 0.772 nan 8.180 nan 0.000 0.447 346 D N 4.990 125.141 120.400 -0.415 0.000 2.435 346 D HA -0.049 4.606 4.640 0.025 0.000 0.230 346 D C 1.453 177.587 176.300 -0.276 0.000 1.215 346 D CA 0.220 54.128 54.000 -0.154 0.000 0.947 346 D CB 0.513 41.271 40.800 -0.071 0.000 1.048 346 D HN 0.599 nan 8.370 nan 0.000 0.512 347 E N 2.814 123.071 120.200 0.095 0.000 2.110 347 E HA -0.186 4.179 4.350 0.025 0.000 0.193 347 E C 1.413 178.099 176.600 0.143 0.000 0.988 347 E CA 0.670 57.217 56.400 0.246 0.000 0.804 347 E CB 0.013 29.938 29.700 0.376 0.000 0.745 347 E HN 0.334 nan 8.360 nan 0.000 0.458 348 R N 0.507 121.051 120.500 0.072 0.000 2.200 348 R HA 0.186 4.542 4.340 0.025 0.000 0.208 348 R C 0.409 176.835 176.300 0.211 0.000 1.033 348 R CA 0.581 56.694 56.100 0.022 0.000 1.000 348 R CB -0.030 30.038 30.300 -0.387 0.000 0.906 348 R HN 0.241 nan 8.270 nan 0.000 0.462 349 A N 0.659 123.641 122.820 0.270 0.000 2.514 349 A HA -0.208 4.127 4.320 0.025 0.000 0.290 349 A C -0.785 177.053 177.584 0.424 0.000 1.435 349 A CA 0.300 52.543 52.037 0.344 0.000 0.728 349 A CB -2.011 17.147 19.000 0.264 0.000 1.128 349 A HN 0.303 nan 8.150 nan 0.000 0.394 350 Y N 0.709 121.127 120.300 0.196 0.000 2.458 350 Y HA 0.596 5.160 4.550 0.022 0.000 0.322 350 Y C -1.717 174.088 175.900 -0.158 0.000 1.259 350 Y CA -1.863 56.234 58.100 -0.003 0.000 1.302 350 Y CB 0.790 39.194 38.460 -0.094 0.000 1.314 350 Y HN 0.407 nan 8.280 nan 0.000 0.509 351 P HA 0.019 nan 4.420 nan 0.000 0.276 351 P C -1.366 175.581 177.300 -0.588 0.000 1.235 351 P CA -0.001 62.751 63.100 -0.580 0.000 0.772 351 P CB 0.335 31.833 31.700 -0.338 0.000 0.871 352 W N 2.691 123.622 121.300 -0.615 0.000 2.666 352 W HA 0.490 5.160 4.660 0.017 0.000 0.334 352 W C 1.603 178.051 176.519 -0.119 0.000 1.051 352 W CA -0.556 56.657 57.345 -0.220 0.000 1.224 352 W CB 1.696 31.228 29.460 0.120 0.000 1.405 352 W HN 0.339 nan 8.180 nan 0.000 0.513 353 R N 0.360 120.865 120.500 0.009 0.000 2.254 353 R HA 0.092 4.447 4.340 0.025 0.000 0.195 353 R C -0.153 176.285 176.300 0.231 0.000 0.957 353 R CA 0.882 57.019 56.100 0.062 0.000 1.024 353 R CB 0.470 30.672 30.300 -0.163 0.000 0.952 353 R HN 0.407 nan 8.270 nan 0.000 0.484 354 E N 0.281 120.624 120.200 0.238 0.000 2.445 354 E HA 0.294 4.659 4.350 0.025 0.000 0.273 354 E C -0.762 175.738 176.600 -0.167 0.000 0.961 354 E CA -0.662 55.788 56.400 0.084 0.000 0.807 354 E CB 1.530 31.303 29.700 0.121 0.000 1.362 354 E HN 0.027 nan 8.360 nan 0.000 0.453 355 E N -0.657 119.116 120.200 -0.711 0.000 8.584 355 E HA -0.146 4.220 4.350 0.025 0.000 0.512 355 E C -1.012 174.747 176.600 -1.402 0.000 1.302 355 E CA 0.189 56.044 56.400 -0.907 0.000 2.409 355 E CB -1.028 28.291 29.700 -0.636 0.000 0.984 355 E HN 0.339 nan 8.360 nan 0.000 0.262 356 F N 1.173 120.664 119.950 -0.766 0.000 2.399 356 F HA 0.291 4.854 4.527 0.061 0.000 0.342 356 F C 1.267 176.547 175.800 -0.866 0.000 1.106 356 F CA 0.243 57.896 58.000 -0.578 0.000 1.196 356 F CB 0.654 39.496 39.000 -0.262 0.000 1.163 356 F HN 0.136 nan 8.300 nan 0.000 0.547 357 H N 4.369 123.315 119.070 -0.205 0.000 2.646 357 H HA 0.411 4.978 4.556 0.018 0.000 0.328 357 H C -1.203 173.894 175.328 -0.385 0.000 0.998 357 H CA -0.735 55.100 56.048 -0.356 0.000 1.225 357 H CB 1.712 31.078 29.762 -0.661 0.000 1.457 357 H HN 0.346 nan 8.280 nan 0.000 0.505 358 L N 4.822 125.937 121.223 -0.179 0.000 2.298 358 L HA 0.224 4.579 4.340 0.025 0.000 0.284 358 L C -0.639 176.289 176.870 0.096 0.000 1.013 358 L CA -0.366 54.389 54.840 -0.142 0.000 0.824 358 L CB 1.278 43.034 42.059 -0.505 0.000 1.221 358 L HN 0.359 nan 8.230 nan 0.000 0.418 359 L N 5.505 126.860 121.223 0.220 0.000 2.313 359 L HA 0.547 4.902 4.340 0.025 0.000 0.283 359 L C -2.187 174.929 176.870 0.411 0.000 1.013 359 L CA -2.013 53.004 54.840 0.294 0.000 0.816 359 L CB 1.257 43.380 42.059 0.106 0.000 1.236 359 L HN 0.297 nan 8.230 nan 0.000 0.419 360 P HA 0.080 nan 4.420 nan 0.000 0.265 360 P C -0.246 177.012 177.300 -0.071 0.000 1.193 360 P CA -0.043 62.965 63.100 -0.154 0.000 0.765 360 P CB 0.758 32.378 31.700 -0.133 0.000 0.823 361 K N 1.439 121.677 120.400 -0.271 0.000 2.219 361 K HA 0.089 4.424 4.320 0.025 0.000 0.258 361 K C 0.480 176.979 176.600 -0.168 0.000 1.008 361 K CA -0.437 55.726 56.287 -0.206 0.000 0.928 361 K CB 0.219 32.521 32.500 -0.330 0.000 0.983 361 K HN 0.398 nan 8.250 nan 0.000 0.484 362 E N 0.453 120.629 120.200 -0.040 0.000 2.652 362 E HA -0.088 4.278 4.350 0.025 0.000 0.255 362 E C 0.653 177.151 176.600 -0.170 0.000 0.952 362 E CA 1.596 57.964 56.400 -0.053 0.000 0.947 362 E CB -0.298 29.416 29.700 0.023 0.000 0.912 362 E HN 0.695 nan 8.360 nan 0.000 0.489 363 G N 2.810 111.512 108.800 -0.163 0.000 2.143 363 G HA2 -0.247 3.728 3.960 0.025 0.000 0.249 363 G HA3 -0.247 3.728 3.960 0.025 0.000 0.249 363 G C 0.037 174.725 174.900 -0.352 0.000 0.981 363 G CA 0.092 45.074 45.100 -0.197 0.000 0.665 363 G HN 0.562 nan 8.290 nan 0.000 0.528 364 V N 1.925 121.583 119.914 -0.426 0.000 2.461 364 V HA 0.491 4.626 4.120 0.025 0.000 0.275 364 V C 0.820 176.786 176.094 -0.213 0.000 1.047 364 V CA -0.628 61.414 62.300 -0.430 0.000 0.955 364 V CB 1.412 32.911 31.823 -0.539 0.000 0.988 364 V HN 0.297 nan 8.190 nan 0.000 0.471 365 R N 5.324 125.745 120.500 -0.132 0.000 2.265 365 R HA 0.564 4.919 4.340 0.025 0.000 0.319 365 R C -0.639 175.667 176.300 0.011 0.000 1.006 365 R CA -0.371 55.713 56.100 -0.027 0.000 0.880 365 R CB 1.231 31.553 30.300 0.038 0.000 1.077 365 R HN 0.788 nan 8.270 nan 0.000 0.454 366 L N -0.263 120.976 121.223 0.026 0.000 2.341 366 L HA 0.649 5.004 4.340 0.025 0.000 0.267 366 L C -0.377 176.522 176.870 0.048 0.000 1.009 366 L CA -0.968 53.916 54.840 0.074 0.000 0.819 366 L CB 2.319 44.462 42.059 0.141 0.000 1.323 366 L HN 0.254 nan 8.230 nan 0.000 0.425 367 D N 2.071 122.515 120.400 0.073 0.000 2.462 367 D HA 0.381 5.037 4.640 0.025 0.000 0.249 367 D C -1.971 174.330 176.300 0.002 0.000 1.117 367 D CA -2.132 51.883 54.000 0.025 0.000 0.900 367 D CB 1.733 42.572 40.800 0.066 0.000 1.039 367 D HN 0.311 nan 8.370 nan 0.000 0.516 368 P HA -0.189 nan 4.420 nan 0.000 0.216 368 P C 1.522 178.753 177.300 -0.115 0.000 1.157 368 P CA 1.049 63.987 63.100 -0.269 0.000 0.880 368 P CB 0.320 31.426 31.700 -0.991 0.000 0.791 369 S N -0.775 114.852 115.700 -0.122 0.000 2.370 369 S HA -0.160 4.325 4.470 0.025 0.000 0.226 369 S C 2.087 176.706 174.600 0.031 0.000 1.033 369 S CA 2.074 60.254 58.200 -0.033 0.000 1.011 369 S CB -0.954 62.227 63.200 -0.032 0.000 0.852 369 S HN 0.303 nan 8.310 nan 0.000 0.457 370 S N 0.804 116.546 115.700 0.071 0.000 2.406 370 S HA 0.035 4.520 4.470 0.025 0.000 0.224 370 S C 1.843 176.457 174.600 0.023 0.000 1.030 370 S CA 0.820 59.103 58.200 0.137 0.000 0.958 370 S CB -0.655 62.730 63.200 0.309 0.000 0.811 370 S HN 0.406 nan 8.310 nan 0.000 0.489 371 L N 2.277 123.546 121.223 0.078 0.000 2.017 371 L HA 0.024 4.379 4.340 0.025 0.000 0.208 371 L C 2.465 179.336 176.870 0.001 0.000 1.073 371 L CA 1.526 56.387 54.840 0.036 0.000 0.745 371 L CB -0.873 41.309 42.059 0.206 0.000 0.894 371 L HN 0.222 nan 8.230 nan 0.000 0.432 372 V N -0.413 119.522 119.914 0.035 0.000 2.287 372 V HA -0.377 3.759 4.120 0.025 0.000 0.248 372 V C 2.627 178.711 176.094 -0.016 0.000 1.053 372 V CA 2.168 64.482 62.300 0.024 0.000 1.027 372 V CB -0.717 31.154 31.823 0.080 0.000 0.646 372 V HN 0.579 nan 8.190 nan 0.000 0.447 373 Q N -1.236 118.560 119.800 -0.007 0.000 2.061 373 Q HA -0.276 4.079 4.340 0.025 0.000 0.204 373 Q C 2.179 178.160 176.000 -0.032 0.000 0.984 373 Q CA 2.351 58.152 55.803 -0.004 0.000 0.846 373 Q CB -0.278 28.480 28.738 0.033 0.000 0.902 373 Q HN 0.875 nan 8.270 nan 0.000 0.421 374 W N 0.957 122.043 121.300 -0.357 0.000 2.358 374 W HA -0.209 4.468 4.660 0.028 0.000 0.303 374 W C 1.380 177.768 176.519 -0.217 0.000 1.208 374 W CA 0.976 58.069 57.345 -0.421 0.000 1.274 374 W CB -0.195 28.666 29.460 -0.998 0.000 1.138 374 W HN 0.155 nan 8.180 nan 0.000 0.515 375 L N 1.217 122.214 121.223 -0.377 0.000 2.131 375 L HA -0.243 4.112 4.340 0.025 0.000 0.210 375 L C 1.903 178.573 176.870 -0.333 0.000 1.092 375 L CA 1.227 55.812 54.840 -0.425 0.000 0.759 375 L CB -0.973 40.960 42.059 -0.210 0.000 0.903 375 L HN -0.031 nan 8.230 nan 0.000 0.435 376 N N -0.290 118.282 118.700 -0.214 0.000 2.398 376 N HA -0.014 4.741 4.740 0.025 0.000 0.188 376 N C 0.785 176.208 175.510 -0.145 0.000 1.122 376 N CA 0.299 53.262 53.050 -0.145 0.000 0.866 376 N CB 0.025 38.471 38.487 -0.068 0.000 0.970 376 N HN 0.305 nan 8.380 nan 0.000 0.462 377 S N 0.289 115.863 115.700 -0.210 0.000 2.584 377 S HA 0.115 4.601 4.470 0.025 0.000 0.270 377 S C 1.163 175.672 174.600 -0.151 0.000 1.346 377 S CA -0.388 57.724 58.200 -0.146 0.000 1.018 377 S CB 1.372 64.506 63.200 -0.110 0.000 0.899 377 S HN 0.137 nan 8.310 nan 0.000 0.542 378 E N 1.354 121.513 120.200 -0.068 0.000 2.150 378 E HA -0.113 4.252 4.350 0.025 0.000 0.193 378 E C 2.357 178.923 176.600 -0.055 0.000 0.985 378 E CA 1.089 57.459 56.400 -0.050 0.000 0.814 378 E CB -0.486 29.208 29.700 -0.010 0.000 0.752 378 E HN 0.825 nan 8.360 nan 0.000 0.466 379 A N 1.443 124.235 122.820 -0.047 0.000 1.883 379 A HA -0.242 4.093 4.320 0.025 0.000 0.217 379 A C 2.160 179.671 177.584 -0.121 0.000 1.186 379 A CA 1.774 53.799 52.037 -0.019 0.000 0.624 379 A CB -0.422 18.649 19.000 0.118 0.000 0.822 379 A HN 0.189 nan 8.150 nan 0.000 0.444 380 M N -0.561 118.824 119.600 -0.357 0.000 2.132 380 M HA -0.122 4.373 4.480 0.025 0.000 0.263 380 M C 2.016 178.235 176.300 -0.136 0.000 1.065 380 M CA 1.650 56.723 55.300 -0.380 0.000 1.122 380 M CB -0.490 31.701 32.600 -0.683 0.000 1.365 380 M HN 0.413 nan 8.290 nan 0.000 0.411 381 Q N 0.083 119.806 119.800 -0.127 0.000 2.084 381 Q HA -0.199 4.156 4.340 0.025 0.000 0.202 381 Q C 2.204 178.180 176.000 -0.039 0.000 0.978 381 Q CA 1.655 57.414 55.803 -0.073 0.000 0.844 381 Q CB -0.805 27.890 28.738 -0.072 0.000 0.898 381 Q HN 0.607 nan 8.270 nan 0.000 0.426 382 K N -0.077 120.308 120.400 -0.024 0.000 2.063 382 K HA -0.235 4.100 4.320 0.025 0.000 0.208 382 K C 2.128 178.736 176.600 0.013 0.000 1.048 382 K CA 1.530 57.813 56.287 -0.006 0.000 0.928 382 K CB -0.158 32.351 32.500 0.015 0.000 0.713 382 K HN 0.217 nan 8.250 nan 0.000 0.442 383 H N 0.325 119.364 119.070 -0.052 0.000 2.290 383 H HA -0.132 4.439 4.556 0.025 0.000 0.298 383 H C 1.812 177.108 175.328 -0.054 0.000 1.087 383 H CA 2.549 58.575 56.048 -0.035 0.000 1.291 383 H CB -0.245 29.508 29.762 -0.016 0.000 1.369 383 H HN 0.117 nan 8.280 nan 0.000 0.492 384 V N -1.724 118.170 119.914 -0.033 0.000 2.358 384 V HA -0.054 4.081 4.120 0.025 0.000 0.246 384 V C 2.619 178.664 176.094 -0.081 0.000 1.047 384 V CA 2.269 64.564 62.300 -0.009 0.000 1.035 384 V CB -1.680 30.219 31.823 0.127 0.000 0.658 384 V HN 0.583 nan 8.190 nan 0.000 0.452 385 R N 0.609 121.047 120.500 -0.103 0.000 2.096 385 R HA -0.134 4.221 4.340 0.025 0.000 0.235 385 R C 2.251 178.398 176.300 -0.254 0.000 1.127 385 R CA 2.448 58.454 56.100 -0.158 0.000 0.968 385 R CB -2.202 28.026 30.300 -0.118 0.000 0.861 385 R HN 0.684 nan 8.270 nan 0.000 0.440 386 T N 1.377 115.794 114.554 -0.229 0.000 2.622 386 T HA -0.064 4.301 4.350 0.025 0.000 0.266 386 T C 2.119 176.602 174.700 -0.362 0.000 1.047 386 T CA 1.533 63.487 62.100 -0.243 0.000 1.159 386 T CB -0.296 68.496 68.868 -0.127 0.000 0.863 386 T HN 0.349 nan 8.240 nan 0.000 0.422 387 L N -0.769 120.144 121.223 -0.518 0.000 2.017 387 L HA -0.085 4.270 4.340 0.025 0.000 0.208 387 L C 1.808 178.121 176.870 -0.928 0.000 1.073 387 L CA 1.525 55.881 54.840 -0.807 0.000 0.745 387 L CB -0.356 40.894 42.059 -1.347 0.000 0.894 387 L HN 0.363 nan 8.230 nan 0.000 0.432 388 Y N -1.731 118.291 120.300 -0.464 0.000 2.557 388 Y HA 0.248 4.819 4.550 0.036 0.000 0.247 388 Y C 1.316 176.480 175.900 -1.226 0.000 1.164 388 Y CA -1.005 56.603 58.100 -0.820 0.000 1.218 388 Y CB -0.135 38.080 38.460 -0.409 0.000 1.210 388 Y HN -0.001 nan 8.280 nan 0.000 0.529 389 R N 1.099 121.129 120.500 -0.782 0.000 3.517 389 R HA -0.294 4.061 4.340 0.025 0.000 0.577 389 R C 0.043 176.122 176.300 -0.368 0.000 0.241 389 R CA 2.113 57.849 56.100 -0.606 0.000 1.784 389 R CB -1.254 28.576 30.300 -0.783 0.000 0.850 389 R HN 0.434 nan 8.270 nan 0.000 0.625 390 D N -0.068 120.210 120.400 -0.202 0.000 2.788 390 D HA 0.127 4.782 4.640 0.025 0.000 0.289 390 D C 0.798 177.202 176.300 0.173 0.000 1.340 390 D CA -0.236 53.758 54.000 -0.009 0.000 0.831 390 D CB -0.101 40.727 40.800 0.046 0.000 1.103 390 D HN 0.175 nan 8.370 nan 0.000 0.476 391 F N 1.362 121.360 119.950 0.080 0.000 2.091 391 F HA -0.065 4.473 4.527 0.019 0.000 0.299 391 F C 1.536 177.368 175.800 0.053 0.000 1.103 391 F CA 0.493 58.539 58.000 0.077 0.000 1.228 391 F CB -0.776 38.260 39.000 0.060 0.000 0.984 391 F HN 0.084 nan 8.300 nan 0.000 0.477 392 V N -3.774 116.287 119.914 0.244 0.000 3.040 392 V HA 0.515 4.650 4.120 0.025 0.000 0.312 392 V C -2.490 173.624 176.094 0.033 0.000 1.115 392 V CA -1.860 60.542 62.300 0.170 0.000 0.998 392 V CB 2.021 34.001 31.823 0.261 0.000 1.042 392 V HN -0.154 nan 8.190 nan 0.000 0.433 393 P HA 0.361 nan 4.420 nan 0.000 0.235 393 P C -0.642 176.271 177.300 -0.644 0.000 1.725 393 P CA 0.433 63.325 63.100 -0.347 0.000 0.894 393 P CB -0.718 30.755 31.700 -0.378 0.000 1.704 394 H N -1.273 117.752 119.070 -0.076 0.000 3.016 394 H HA 0.462 5.055 4.556 0.060 0.000 0.362 394 H C -1.010 174.300 175.328 -0.030 0.000 1.233 394 H CA -0.953 55.022 56.048 -0.123 0.000 1.124 394 H CB 1.352 30.994 29.762 -0.201 0.000 1.850 394 H HN -0.105 nan 8.280 nan 0.000 0.549 395 L N 2.406 123.751 121.223 0.203 0.000 2.257 395 L HA 0.382 4.737 4.340 0.025 0.000 0.290 395 L C 0.169 177.278 176.870 0.399 0.000 1.044 395 L CA -0.074 54.875 54.840 0.182 0.000 0.810 395 L CB 0.481 42.626 42.059 0.143 0.000 1.193 395 L HN 0.869 nan 8.230 nan 0.000 0.425 396 T N 1.319 115.985 114.554 0.187 0.000 2.897 396 T HA 0.244 4.609 4.350 0.025 0.000 0.278 396 T C 1.020 175.719 174.700 -0.003 0.000 0.981 396 T CA -0.582 61.676 62.100 0.264 0.000 0.973 396 T CB 0.896 69.838 68.868 0.124 0.000 1.092 396 T HN 0.548 nan 8.240 nan 0.000 0.543 397 L N 0.475 121.694 121.223 -0.006 0.000 2.083 397 L HA 0.040 4.396 4.340 0.025 0.000 0.209 397 L C 2.591 179.366 176.870 -0.159 0.000 1.083 397 L CA 1.607 56.308 54.840 -0.232 0.000 0.752 397 L CB -0.813 41.227 42.059 -0.032 0.000 0.899 397 L HN 0.558 nan 8.230 nan 0.000 0.433 398 R N -0.772 119.681 120.500 -0.077 0.000 2.148 398 R HA -0.041 4.314 4.340 0.025 0.000 0.227 398 R C 2.047 178.298 176.300 -0.081 0.000 1.103 398 R CA 1.620 57.691 56.100 -0.049 0.000 0.983 398 R CB -0.644 29.655 30.300 -0.002 0.000 0.874 398 R HN 0.492 nan 8.270 nan 0.000 0.451 399 M N -0.198 119.283 119.600 -0.199 0.000 2.160 399 M HA -0.082 4.413 4.480 0.025 0.000 0.264 399 M C 2.143 178.379 176.300 -0.107 0.000 1.073 399 M CA 1.025 56.160 55.300 -0.274 0.000 1.142 399 M CB -0.391 31.837 32.600 -0.620 0.000 1.358 399 M HN -0.005 nan 8.290 nan 0.000 0.422 400 L N 1.624 122.736 121.223 -0.185 0.000 2.046 400 L HA -0.205 4.150 4.340 0.025 0.000 0.208 400 L C 2.410 179.211 176.870 -0.116 0.000 1.077 400 L CA 2.067 56.783 54.840 -0.206 0.000 0.747 400 L CB -0.706 41.068 42.059 -0.475 0.000 0.896 400 L HN 0.449 nan 8.230 nan 0.000 0.432 401 E N -0.999 119.141 120.200 -0.099 0.000 2.338 401 E HA -0.218 4.147 4.350 0.025 0.000 0.197 401 E C 1.743 178.371 176.600 0.046 0.000 1.007 401 E CA 0.910 57.297 56.400 -0.021 0.000 0.849 401 E CB -0.325 29.365 29.700 -0.017 0.000 0.774 401 E HN 0.539 nan 8.360 nan 0.000 0.506 402 R N 0.676 121.216 120.500 0.068 0.000 2.334 402 R HA 0.254 4.609 4.340 0.025 0.000 0.216 402 R C 0.276 176.678 176.300 0.170 0.000 0.905 402 R CA -0.177 56.000 56.100 0.127 0.000 1.064 402 R CB 0.143 30.539 30.300 0.159 0.000 1.046 402 R HN 0.183 nan 8.270 nan 0.000 0.508 403 L N 4.360 125.671 121.223 0.147 0.000 2.462 403 L HA 0.126 4.482 4.340 0.025 0.000 0.272 403 L C -1.950 175.042 176.870 0.202 0.000 1.166 403 L CA -1.624 53.318 54.840 0.170 0.000 0.880 403 L CB 0.060 42.181 42.059 0.105 0.000 1.142 403 L HN -0.227 nan 8.230 nan 0.000 0.473 404 P HA 0.154 nan 4.420 nan 0.000 0.280 404 P C -0.888 176.634 177.300 0.371 0.000 1.244 404 P CA -0.203 63.037 63.100 0.233 0.000 0.784 404 P CB 1.587 33.383 31.700 0.161 0.000 0.913 405 V N 4.534 124.602 119.914 0.256 0.000 2.482 405 V HA 0.349 4.484 4.120 0.025 0.000 0.295 405 V C 0.769 176.916 176.094 0.088 0.000 1.026 405 V CA -0.798 61.648 62.300 0.243 0.000 0.856 405 V CB 1.386 33.400 31.823 0.319 0.000 1.001 405 V HN 0.606 nan 8.190 nan 0.000 0.424 406 R N 3.839 124.296 120.500 -0.072 0.000 2.543 406 R HA 0.526 4.881 4.340 0.025 0.000 0.268 406 R C 0.905 177.069 176.300 -0.228 0.000 1.067 406 R CA -0.563 55.425 56.100 -0.186 0.000 1.142 406 R CB 1.092 31.192 30.300 -0.333 0.000 1.110 406 R HN 0.497 nan 8.270 nan 0.000 0.549 407 R N 0.510 120.852 120.500 -0.262 0.000 2.154 407 R HA -0.181 4.174 4.340 0.025 0.000 0.248 407 R C 1.697 177.803 176.300 -0.324 0.000 1.155 407 R CA 1.844 57.750 56.100 -0.322 0.000 0.979 407 R CB -0.200 29.761 30.300 -0.565 0.000 0.869 407 R HN 0.711 nan 8.270 nan 0.000 0.452 408 E N -0.245 119.663 120.200 -0.486 0.000 2.118 408 E HA -0.202 4.163 4.350 0.025 0.000 0.195 408 E C 1.601 177.991 176.600 -0.350 0.000 0.992 408 E CA 1.495 57.587 56.400 -0.513 0.000 0.804 408 E CB -0.035 29.213 29.700 -0.755 0.000 0.741 408 E HN 0.484 nan 8.360 nan 0.000 0.458 409 Y N -0.785 119.481 120.300 -0.056 0.000 2.441 409 Y HA 0.337 4.903 4.550 0.027 0.000 0.288 409 Y C 1.406 177.350 175.900 0.074 0.000 1.118 409 Y CA 0.434 58.544 58.100 0.018 0.000 1.215 409 Y CB 0.381 38.863 38.460 0.036 0.000 1.118 409 Y HN -0.104 nan 8.280 nan 0.000 0.547 410 G N -0.612 108.317 108.800 0.215 0.000 2.766 410 G HA2 0.458 4.433 3.960 0.025 0.000 0.297 410 G HA3 0.458 4.433 3.960 0.025 0.000 0.297 410 G C -2.289 172.754 174.900 0.238 0.000 1.431 410 G CA -0.423 44.798 45.100 0.201 0.000 1.042 410 G HN -0.132 nan 8.290 nan 0.000 0.542 411 F N 2.934 122.873 119.950 -0.019 0.000 2.607 411 F HA 0.460 5.002 4.527 0.025 0.000 0.322 411 F C -1.016 174.776 175.800 -0.013 0.000 1.176 411 F CA -1.329 56.665 58.000 -0.010 0.000 0.977 411 F CB 1.873 40.860 39.000 -0.022 0.000 1.242 411 F HN 0.514 nan 8.300 nan 0.000 0.465 412 H N 4.451 123.298 119.070 -0.372 0.000 2.782 412 H HA 0.228 4.799 4.556 0.025 0.000 0.285 412 H C 1.095 175.938 175.328 -0.809 0.000 1.093 412 H CA 0.913 56.691 56.048 -0.451 0.000 1.410 412 H CB 1.458 31.069 29.762 -0.252 0.000 1.439 412 H HN 0.803 nan 8.280 nan 0.000 0.469 413 T N 0.832 115.126 114.554 -0.434 0.000 2.978 413 T HA 0.274 4.639 4.350 0.025 0.000 0.262 413 T C 0.931 175.545 174.700 -0.144 0.000 1.063 413 T CA 0.699 62.539 62.100 -0.433 0.000 1.140 413 T CB 0.191 68.901 68.868 -0.262 0.000 0.886 413 T HN 0.688 nan 8.240 nan 0.000 0.470 414 S N 0.000 115.729 115.700 0.048 0.000 2.498 414 S HA 0.000 4.485 4.470 0.025 0.000 0.327 414 S CA 0.000 nan 58.200 nan 0.000 1.107 414 S CB 0.000 nan 63.200 nan 0.000 0.593 414 S HN 0.000 nan 8.310 nan 0.000 0.517