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 2iz0_1_B DATA FIRST_RESID -1 DATA SEQUENCE HHMAQANFGV VGMAVMGKNL ALNVESRGYT VAIYNRTTSK TEEVFKEHQD DATA SEQUENCE KNLVFTKTLE EFVGSLEKPR RIMLMVQAGA ATDATIKSLL PLLDIGDILI DATA SEQUENCE DGGNTHFPDT MRRNAELADS GINFIGTGVS GGEKGALLGP SMMPGGQKEA DATA SEQUENCE YDLVAPIFEQ IAAKAPQDGK PCVAYMGANG AGHYVKMVHN GIEYGDMQLI DATA SEQUENCE AESYDLLKRI LGLSNAEIQA IFEEWNEGEL DSYLIEITKE VLKRKDDEGE DATA SEQUENCE GYIVDKILDK AGXXGTGKWT SESALDLGVP LPLITESVFA RYISTYKDER DATA SEQUENCE VKASKVLSGP ALDFSGDKKE VIEKIRKALY FSKIMSYAQG FAQLRKASEE DATA SEQUENCE FDWDLPYGTI AQIWRAGCII RAEFLQNITD AFDKDSELEN LLLDDYFVDI DATA SEQUENCE TKRYQEAVRD VVSLAVQAGT PIPTFTSAIS YYDSYRSENL PANLIQAQRD DATA SEQUENCE YFGAHTYERT DKAGIFHYDW YT 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 -1 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.125 175.328 -0.338 0.000 0.993 -1 H CA 0.000 55.978 56.048 -0.117 0.000 1.023 -1 H CB 0.000 29.743 29.762 -0.032 0.000 1.292 0 H N 0.026 119.163 119.070 0.113 0.000 3.038 0 H HA 0.202 4.758 4.556 0.001 0.000 0.223 0 H C -0.345 175.004 175.328 0.035 0.000 1.400 0 H CA -0.214 55.875 56.048 0.068 0.000 1.153 0 H CB 0.295 30.111 29.762 0.091 0.000 2.234 0 H HN 0.178 nan 8.280 nan 0.000 0.541 1 M N 1.260 120.908 119.600 0.080 0.000 2.268 1 M HA 0.229 4.709 4.480 0.001 0.000 0.349 1 M C 0.642 176.960 176.300 0.030 0.000 1.485 1 M CA 0.704 56.030 55.300 0.042 0.000 1.094 1 M CB 0.030 32.640 32.600 0.017 0.000 1.843 1 M HN 0.588 nan 8.290 nan 0.000 0.460 2 A N 4.102 126.928 122.820 0.010 0.000 2.832 2 A HA -0.243 4.077 4.320 0.001 0.000 0.280 2 A C 0.790 178.387 177.584 0.022 0.000 1.464 2 A CA 1.692 53.727 52.037 -0.002 0.000 0.804 2 A CB -1.991 17.005 19.000 -0.007 0.000 1.020 2 A HN 0.964 nan 8.150 nan 0.000 0.563 3 Q N -1.206 118.625 119.800 0.051 0.000 2.391 3 Q HA 0.396 4.736 4.340 0.001 0.000 0.211 3 Q C 1.017 177.060 176.000 0.071 0.000 0.908 3 Q CA 0.677 56.526 55.803 0.077 0.000 0.920 3 Q CB 0.378 29.201 28.738 0.142 0.000 1.056 3 Q HN 1.180 nan 8.270 nan 0.000 0.523 4 A N 0.754 123.600 122.820 0.044 0.000 2.327 4 A HA 0.234 4.554 4.320 0.001 0.000 0.283 4 A C -0.068 177.547 177.584 0.052 0.000 1.127 4 A CA -0.470 51.597 52.037 0.050 0.000 0.810 4 A CB 0.336 19.341 19.000 0.009 0.000 1.066 4 A HN 0.290 nan 8.150 nan 0.000 0.492 5 N N 0.032 118.804 118.700 0.120 0.000 2.416 5 N HA 0.208 4.949 4.740 0.001 0.000 0.177 5 N C -0.647 174.955 175.510 0.153 0.000 1.036 5 N CA 0.706 53.839 53.050 0.138 0.000 0.901 5 N CB 0.259 38.895 38.487 0.249 0.000 0.976 5 N HN 0.615 nan 8.380 nan 0.000 0.444 6 F N -0.475 119.445 119.950 -0.050 0.000 2.665 6 F HA 0.564 5.092 4.527 0.001 0.000 0.308 6 F C -1.153 174.642 175.800 -0.009 0.000 1.112 6 F CA -0.899 57.063 58.000 -0.063 0.000 0.972 6 F CB 1.508 40.445 39.000 -0.104 0.000 1.295 6 F HN -0.171 nan 8.300 nan 0.000 0.440 7 G N 2.713 111.230 108.800 -0.471 0.000 2.591 7 G HA2 0.624 4.584 3.960 0.001 0.000 0.306 7 G HA3 0.624 4.584 3.960 0.001 0.000 0.306 7 G C -2.335 172.561 174.900 -0.007 0.000 1.334 7 G CA -0.834 44.209 45.100 -0.095 0.000 0.981 7 G HN 0.600 nan 8.290 nan 0.000 0.491 8 V N 1.637 121.712 119.914 0.267 0.000 2.487 8 V HA 0.488 4.609 4.120 0.001 0.000 0.298 8 V C -0.307 175.813 176.094 0.043 0.000 1.028 8 V CA -0.757 61.636 62.300 0.155 0.000 0.860 8 V CB 1.768 33.702 31.823 0.184 0.000 0.991 8 V HN 0.569 nan 8.190 nan 0.000 0.427 9 V N 3.372 123.257 119.914 -0.048 0.000 2.370 9 V HA 0.908 5.028 4.120 0.001 0.000 0.283 9 V C 0.532 176.612 176.094 -0.023 0.000 1.023 9 V CA 0.274 62.500 62.300 -0.124 0.000 0.857 9 V CB 1.084 32.813 31.823 -0.157 0.000 0.985 9 V HN 1.295 nan 8.190 nan 0.000 0.443 10 G N 5.723 114.502 108.800 -0.035 0.000 3.152 10 G HA2 -0.077 3.883 3.960 0.001 0.000 0.666 10 G HA3 -0.077 3.883 3.960 0.001 0.000 0.666 10 G C -0.513 174.381 174.900 -0.010 0.000 1.205 10 G CA -0.784 44.304 45.100 -0.020 0.000 1.178 10 G HN 0.394 nan 8.290 nan 0.000 0.510 11 M N 1.541 121.123 119.600 -0.030 0.000 2.637 11 M HA 0.386 4.866 4.480 0.001 0.000 0.286 11 M C 1.374 177.681 176.300 0.011 0.000 1.246 11 M CA -0.077 55.223 55.300 -0.000 0.000 0.978 11 M CB -0.123 32.474 32.600 -0.005 0.000 1.417 11 M HN 0.947 nan 8.290 nan 0.000 0.487 12 A N 0.376 123.201 122.820 0.008 0.000 2.325 12 A HA 0.253 4.574 4.320 0.001 0.000 0.260 12 A C 1.588 179.188 177.584 0.026 0.000 1.133 12 A CA 0.051 52.098 52.037 0.016 0.000 0.801 12 A CB 0.207 19.215 19.000 0.014 0.000 1.092 12 A HN 0.209 nan 8.150 nan 0.000 0.504 13 V N 0.149 120.079 119.914 0.027 0.000 2.332 13 V HA -0.232 3.889 4.120 0.001 0.000 0.248 13 V C 2.191 178.303 176.094 0.030 0.000 1.055 13 V CA 2.678 64.997 62.300 0.031 0.000 1.038 13 V CB -0.670 31.171 31.823 0.029 0.000 0.651 13 V HN 0.732 nan 8.190 nan 0.000 0.450 14 M N 0.304 119.921 119.600 0.029 0.000 2.059 14 M HA -0.090 4.391 4.480 0.001 0.000 0.259 14 M C 2.368 178.689 176.300 0.036 0.000 1.072 14 M CA 2.257 57.575 55.300 0.029 0.000 1.117 14 M CB -2.009 30.610 32.600 0.031 0.000 1.320 14 M HN 0.505 nan 8.290 nan 0.000 0.408 15 G N -0.097 108.728 108.800 0.041 0.000 2.418 15 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 15 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 15 G C 1.727 176.662 174.900 0.058 0.000 1.158 15 G CA 1.106 46.239 45.100 0.055 0.000 0.771 15 G HN 0.474 nan 8.290 nan 0.000 0.545 16 K N 0.319 120.746 120.400 0.044 0.000 2.032 16 K HA -0.161 4.160 4.320 0.001 0.000 0.209 16 K C 2.341 178.951 176.600 0.016 0.000 1.048 16 K CA 1.545 57.855 56.287 0.038 0.000 0.927 16 K CB -0.191 32.334 32.500 0.043 0.000 0.712 16 K HN 0.156 nan 8.250 nan 0.000 0.441 17 N N 0.998 119.709 118.700 0.018 0.000 2.120 17 N HA -0.134 4.607 4.740 0.001 0.000 0.188 17 N C 1.826 177.342 175.510 0.010 0.000 1.024 17 N CA 0.947 54.000 53.050 0.005 0.000 0.852 17 N CB -0.238 38.256 38.487 0.012 0.000 1.003 17 N HN 0.190 nan 8.380 nan 0.000 0.424 18 L N 0.398 121.639 121.223 0.031 0.000 2.046 18 L HA -0.141 4.200 4.340 0.001 0.000 0.208 18 L C 2.262 179.176 176.870 0.073 0.000 1.077 18 L CA 1.184 56.051 54.840 0.045 0.000 0.747 18 L CB -0.517 41.588 42.059 0.075 0.000 0.896 18 L HN 0.145 nan 8.230 nan 0.000 0.432 19 A N 0.037 122.915 122.820 0.097 0.000 1.908 19 A HA -0.214 4.106 4.320 0.001 0.000 0.218 19 A C 2.189 179.814 177.584 0.067 0.000 1.181 19 A CA 1.589 53.702 52.037 0.126 0.000 0.627 19 A CB -0.700 18.375 19.000 0.124 0.000 0.818 19 A HN 0.403 nan 8.150 nan 0.000 0.445 20 L N -0.547 120.676 121.223 -0.001 0.000 2.109 20 L HA -0.159 4.181 4.340 0.001 0.000 0.207 20 L C 2.567 179.431 176.870 -0.010 0.000 1.086 20 L CA 1.195 56.004 54.840 -0.051 0.000 0.760 20 L CB -0.625 41.346 42.059 -0.146 0.000 0.910 20 L HN 0.461 nan 8.230 nan 0.000 0.437 21 N N 0.534 119.233 118.700 -0.000 0.000 2.043 21 N HA -0.165 4.576 4.740 0.001 0.000 0.193 21 N C 1.785 177.304 175.510 0.016 0.000 1.037 21 N CA 1.658 54.709 53.050 0.002 0.000 0.851 21 N CB -0.234 38.247 38.487 -0.010 0.000 1.027 21 N HN 0.039 nan 8.380 nan 0.000 0.422 22 V N 1.691 121.611 119.914 0.009 0.000 2.261 22 V HA -0.161 3.960 4.120 0.001 0.000 0.246 22 V C 2.549 178.717 176.094 0.123 0.000 1.047 22 V CA 1.855 64.152 62.300 -0.005 0.000 1.015 22 V CB -0.698 31.049 31.823 -0.126 0.000 0.642 22 V HN 0.416 nan 8.190 nan 0.000 0.446 23 E N 0.997 121.265 120.200 0.113 0.000 2.097 23 E HA -0.263 4.087 4.350 0.001 0.000 0.196 23 E C 2.432 179.084 176.600 0.087 0.000 1.000 23 E CA 2.022 58.496 56.400 0.123 0.000 0.804 23 E CB -0.280 29.472 29.700 0.086 0.000 0.740 23 E HN 0.722 nan 8.360 nan 0.000 0.454 24 S N 0.089 115.822 115.700 0.056 0.000 2.442 24 S HA -0.088 4.382 4.470 0.001 0.000 0.236 24 S C 1.562 176.180 174.600 0.031 0.000 1.007 24 S CA 0.513 58.733 58.200 0.033 0.000 0.965 24 S CB -0.155 63.058 63.200 0.021 0.000 0.773 24 S HN 0.126 nan 8.310 nan 0.000 0.504 25 R N 1.136 121.680 120.500 0.074 0.000 2.310 25 R HA 0.309 4.650 4.340 0.001 0.000 0.202 25 R C 1.449 177.681 176.300 -0.113 0.000 0.933 25 R CA 0.444 56.580 56.100 0.060 0.000 1.054 25 R CB -0.970 29.445 30.300 0.192 0.000 0.985 25 R HN 0.675 nan 8.270 nan 0.000 0.489 26 G N 0.286 108.996 108.800 -0.149 0.000 2.181 26 G HA2 -0.229 3.731 3.960 0.001 0.000 0.152 26 G HA3 -0.229 3.731 3.960 0.001 0.000 0.152 26 G C -0.723 173.875 174.900 -0.503 0.000 1.026 26 G CA -0.564 44.342 45.100 -0.325 0.000 0.699 26 G HN 0.233 nan 8.290 nan 0.000 0.497 27 Y N -0.230 120.074 120.300 0.007 0.000 2.536 27 Y HA 0.696 5.246 4.550 0.001 0.000 0.347 27 Y C 0.738 176.667 175.900 0.048 0.000 1.000 27 Y CA -0.749 57.365 58.100 0.023 0.000 1.051 27 Y CB 1.942 40.410 38.460 0.013 0.000 1.259 27 Y HN 0.054 nan 8.280 nan 0.000 0.468 28 T N 2.797 117.488 114.554 0.229 0.000 2.771 28 T HA 0.511 4.862 4.350 0.001 0.000 0.291 28 T C -0.731 174.084 174.700 0.192 0.000 0.954 28 T CA -0.476 61.725 62.100 0.167 0.000 1.045 28 T CB 0.290 69.232 68.868 0.123 0.000 0.917 28 T HN 0.308 nan 8.240 nan 0.000 0.484 29 V N 2.953 122.978 119.914 0.185 0.000 2.487 29 V HA 0.673 4.793 4.120 0.001 0.000 0.298 29 V C 0.293 176.496 176.094 0.183 0.000 1.028 29 V CA -1.205 61.223 62.300 0.213 0.000 0.860 29 V CB 1.494 33.465 31.823 0.247 0.000 0.991 29 V HN 1.055 nan 8.190 nan 0.000 0.427 30 A N 6.565 129.478 122.820 0.155 0.000 2.363 30 A HA 0.821 5.142 4.320 0.001 0.000 0.270 30 A C -0.231 177.565 177.584 0.352 0.000 1.121 30 A CA -0.305 51.841 52.037 0.181 0.000 0.800 30 A CB 0.179 19.181 19.000 0.003 0.000 1.052 30 A HN 0.977 nan 8.150 nan 0.000 0.493 31 I N -0.336 120.420 120.570 0.310 0.000 2.530 31 I HA 0.811 4.981 4.170 0.001 0.000 0.297 31 I C -0.970 175.234 176.117 0.144 0.000 1.011 31 I CA -0.918 60.524 61.300 0.237 0.000 1.107 31 I CB 1.856 39.962 38.000 0.177 0.000 1.285 31 I HN 0.650 nan 8.210 nan 0.000 0.436 32 Y N 4.246 124.426 120.300 -0.200 0.000 2.534 32 Y HA 0.620 5.170 4.550 0.001 0.000 0.345 32 Y C -1.588 174.151 175.900 -0.268 0.000 1.031 32 Y CA -0.728 57.155 58.100 -0.361 0.000 1.022 32 Y CB 2.254 40.251 38.460 -0.772 0.000 1.292 32 Y HN 0.855 nan 8.280 nan 0.000 0.459 33 N N 2.711 120.782 118.700 -1.049 0.000 2.308 33 N HA 0.293 5.034 4.740 0.001 0.000 0.283 33 N C 0.213 175.155 175.510 -0.947 0.000 1.105 33 N CA -0.686 51.935 53.050 -0.715 0.000 0.840 33 N CB 1.813 40.102 38.487 -0.330 0.000 1.633 33 N HN 0.779 nan 8.380 nan 0.000 0.476 34 R N 1.036 121.254 120.500 -0.471 0.000 2.112 34 R HA -0.060 4.281 4.340 0.001 0.000 0.242 34 R C -0.279 175.887 176.300 -0.223 0.000 1.137 34 R CA 1.552 57.507 56.100 -0.241 0.000 0.944 34 R CB -0.488 29.778 30.300 -0.056 0.000 0.857 34 R HN 0.576 nan 8.270 nan 0.000 0.435 35 T N 1.032 115.480 114.554 -0.176 0.000 2.739 35 T HA 0.102 4.452 4.350 0.001 0.000 0.298 35 T C 0.569 175.187 174.700 -0.135 0.000 0.929 35 T CA -0.169 61.862 62.100 -0.115 0.000 1.014 35 T CB 1.609 70.439 68.868 -0.064 0.000 0.914 35 T HN 0.287 nan 8.240 nan 0.000 0.509 36 T N 2.260 116.743 114.554 -0.119 0.000 2.833 36 T HA -0.162 4.189 4.350 0.001 0.000 0.269 36 T C 2.472 177.191 174.700 0.032 0.000 1.054 36 T CA 1.444 63.491 62.100 -0.088 0.000 1.135 36 T CB -0.232 68.617 68.868 -0.033 0.000 0.869 36 T HN 0.756 nan 8.240 nan 0.000 0.466 37 S N 1.814 117.531 115.700 0.028 0.000 2.387 37 S HA -0.214 4.256 4.470 0.001 0.000 0.230 37 S C 1.933 176.569 174.600 0.061 0.000 1.035 37 S CA 1.427 59.657 58.200 0.051 0.000 1.014 37 S CB -0.364 62.852 63.200 0.026 0.000 0.836 37 S HN 0.434 nan 8.310 nan 0.000 0.466 38 K N 1.030 121.448 120.400 0.030 0.000 2.103 38 K HA 0.004 4.324 4.320 0.001 0.000 0.204 38 K C 2.145 178.793 176.600 0.080 0.000 1.052 38 K CA 1.598 57.906 56.287 0.036 0.000 0.945 38 K CB -0.503 31.995 32.500 -0.003 0.000 0.722 38 K HN 0.499 nan 8.250 nan 0.000 0.443 39 T N 0.290 114.891 114.554 0.077 0.000 2.867 39 T HA -0.142 4.208 4.350 0.001 0.000 0.268 39 T C 1.564 176.514 174.700 0.417 0.000 1.057 39 T CA 1.500 63.703 62.100 0.172 0.000 1.136 39 T CB -0.162 68.698 68.868 -0.013 0.000 0.874 39 T HN 0.352 nan 8.240 nan 0.000 0.466 40 E N 1.317 121.751 120.200 0.390 0.000 2.072 40 E HA -0.138 4.213 4.350 0.001 0.000 0.191 40 E C 2.130 178.827 176.600 0.162 0.000 0.985 40 E CA 1.168 57.703 56.400 0.225 0.000 0.801 40 E CB -0.048 29.714 29.700 0.103 0.000 0.750 40 E HN 0.562 nan 8.360 nan 0.000 0.452 41 E N -0.418 119.863 120.200 0.135 0.000 2.085 41 E HA -0.191 4.160 4.350 0.001 0.000 0.194 41 E C 2.134 178.817 176.600 0.138 0.000 0.994 41 E CA 1.455 57.916 56.400 0.101 0.000 0.801 41 E CB 0.019 29.764 29.700 0.076 0.000 0.743 41 E HN 0.149 nan 8.360 nan 0.000 0.453 42 V N 0.790 120.825 119.914 0.202 0.000 2.270 42 V HA -0.240 3.881 4.120 0.001 0.000 0.245 42 V C 1.991 178.277 176.094 0.319 0.000 1.043 42 V CA 1.787 64.251 62.300 0.272 0.000 1.014 42 V CB -0.504 31.464 31.823 0.241 0.000 0.645 42 V HN 0.238 nan 8.190 nan 0.000 0.447 43 F N 0.961 121.014 119.950 0.172 0.000 2.161 43 F HA -0.183 4.344 4.527 0.001 0.000 0.300 43 F C 2.362 178.188 175.800 0.044 0.000 1.089 43 F CA 1.858 59.935 58.000 0.128 0.000 1.282 43 F CB -0.201 38.861 39.000 0.104 0.000 1.010 43 F HN 0.013 nan 8.300 nan 0.000 0.485 44 K N -0.075 120.374 120.400 0.082 0.000 2.057 44 K HA -0.210 4.110 4.320 0.001 0.000 0.206 44 K C 1.719 178.246 176.600 -0.122 0.000 1.050 44 K CA 1.718 57.978 56.287 -0.044 0.000 0.935 44 K CB -0.250 32.251 32.500 0.002 0.000 0.715 44 K HN 0.484 nan 8.250 nan 0.000 0.439 45 E N -0.504 119.624 120.200 -0.119 0.000 2.479 45 E HA -0.059 4.291 4.350 0.001 0.000 0.193 45 E C 0.142 176.408 176.600 -0.555 0.000 1.049 45 E CA 0.510 56.742 56.400 -0.280 0.000 0.870 45 E CB 0.275 29.817 29.700 -0.263 0.000 0.944 45 E HN 0.272 nan 8.360 nan 0.000 0.492 46 H N 0.495 119.502 119.070 -0.105 0.000 2.767 46 H HA 0.185 4.741 4.556 0.001 0.000 0.235 46 H C 0.542 175.726 175.328 -0.239 0.000 1.256 46 H CA -0.311 55.668 56.048 -0.114 0.000 0.957 46 H CB 0.641 30.379 29.762 -0.040 0.000 2.117 46 H HN 0.173 nan 8.280 nan 0.000 0.602 47 Q N 0.479 120.115 119.800 -0.273 0.000 2.234 47 Q HA -0.112 4.229 4.340 0.001 0.000 0.206 47 Q C 0.489 176.358 176.000 -0.219 0.000 0.980 47 Q CA 1.375 56.927 55.803 -0.420 0.000 0.869 47 Q CB 0.234 28.771 28.738 -0.335 0.000 0.912 47 Q HN 0.530 nan 8.270 nan 0.000 0.436 48 D N -0.184 120.151 120.400 -0.109 0.000 2.347 48 D HA -0.036 4.605 4.640 0.001 0.000 0.215 48 D C 0.039 176.331 176.300 -0.013 0.000 0.976 48 D CA 0.570 54.541 54.000 -0.048 0.000 0.884 48 D CB 0.308 41.091 40.800 -0.027 0.000 0.915 48 D HN -0.058 nan 8.370 nan 0.000 0.526 49 K N 0.809 121.209 120.400 -0.001 0.000 2.090 49 K HA 0.223 4.543 4.320 0.001 0.000 0.250 49 K C 0.242 176.866 176.600 0.039 0.000 1.004 49 K CA -0.366 55.940 56.287 0.031 0.000 0.919 49 K CB 0.351 32.882 32.500 0.053 0.000 1.045 49 K HN -0.088 nan 8.250 nan 0.000 0.471 50 N N 1.853 120.591 118.700 0.063 0.000 3.303 50 N HA 0.054 4.794 4.740 0.001 0.000 0.304 50 N C -0.630 174.953 175.510 0.123 0.000 1.302 50 N CA -0.111 52.991 53.050 0.087 0.000 1.213 50 N CB -0.156 38.377 38.487 0.078 0.000 1.481 50 N HN 0.111 nan 8.380 nan 0.000 0.546 51 L N 0.745 122.066 121.223 0.163 0.000 2.322 51 L HA 0.412 4.752 4.340 0.001 0.000 0.279 51 L C 0.131 177.179 176.870 0.297 0.000 1.036 51 L CA -0.843 54.141 54.840 0.240 0.000 0.807 51 L CB 1.902 44.143 42.059 0.302 0.000 1.226 51 L HN -0.061 nan 8.230 nan 0.000 0.433 52 V N 4.030 124.064 119.914 0.199 0.000 2.334 52 V HA 0.267 4.387 4.120 0.001 0.000 0.281 52 V C -0.323 175.828 176.094 0.095 0.000 1.016 52 V CA -0.726 61.611 62.300 0.062 0.000 0.832 52 V CB 1.001 32.801 31.823 -0.039 0.000 0.999 52 V HN 0.516 nan 8.190 nan 0.000 0.439 53 F N 5.669 125.477 119.950 -0.238 0.000 2.472 53 F HA 0.518 5.045 4.527 0.001 0.000 0.364 53 F C 0.735 176.457 175.800 -0.131 0.000 1.090 53 F CA 0.027 57.839 58.000 -0.313 0.000 1.188 53 F CB 0.765 39.184 39.000 -0.967 0.000 1.105 53 F HN 0.580 nan 8.300 nan 0.000 0.536 54 T N 2.383 116.604 114.554 -0.556 0.000 2.841 54 T HA 0.397 4.748 4.350 0.001 0.000 0.283 54 T C 0.313 174.702 174.700 -0.518 0.000 1.000 54 T CA -0.898 61.001 62.100 -0.334 0.000 0.977 54 T CB 1.970 70.892 68.868 0.090 0.000 0.979 54 T HN 0.709 nan 8.240 nan 0.000 0.446 55 K N 1.138 121.353 120.400 -0.307 0.000 2.323 55 K HA 0.220 4.541 4.320 0.001 0.000 0.197 55 K C 0.821 177.470 176.600 0.082 0.000 1.043 55 K CA 0.480 56.656 56.287 -0.184 0.000 0.997 55 K CB 0.502 32.969 32.500 -0.055 0.000 0.807 55 K HN 0.916 nan 8.250 nan 0.000 0.497 56 T N -2.937 111.712 114.554 0.157 0.000 2.883 56 T HA 0.246 4.596 4.350 0.001 0.000 0.301 56 T C 0.564 175.229 174.700 -0.058 0.000 1.158 56 T CA -0.915 61.278 62.100 0.156 0.000 1.007 56 T CB 1.144 70.045 68.868 0.055 0.000 1.186 56 T HN -0.305 nan 8.240 nan 0.000 0.499 57 L N 0.871 121.914 121.223 -0.299 0.000 2.042 57 L HA -0.049 4.292 4.340 0.001 0.000 0.210 57 L C 2.496 179.313 176.870 -0.089 0.000 1.076 57 L CA 1.905 56.519 54.840 -0.376 0.000 0.749 57 L CB -1.744 40.124 42.059 -0.319 0.000 0.893 57 L HN 0.813 nan 8.230 nan 0.000 0.432 58 E N -0.413 119.757 120.200 -0.049 0.000 2.058 58 E HA -0.237 4.113 4.350 0.001 0.000 0.194 58 E C 2.158 178.759 176.600 0.001 0.000 0.997 58 E CA 1.363 57.752 56.400 -0.017 0.000 0.801 58 E CB -0.211 29.483 29.700 -0.009 0.000 0.746 58 E HN 0.493 nan 8.360 nan 0.000 0.450 59 E N -0.266 119.947 120.200 0.021 0.000 2.051 59 E HA -0.220 4.131 4.350 0.001 0.000 0.192 59 E C 1.826 178.458 176.600 0.053 0.000 0.991 59 E CA 0.924 57.348 56.400 0.040 0.000 0.799 59 E CB -0.162 29.566 29.700 0.047 0.000 0.748 59 E HN 0.239 nan 8.360 nan 0.000 0.449 60 F N 1.015 120.908 119.950 -0.095 0.000 2.026 60 F HA -0.254 4.273 4.527 0.001 0.000 0.296 60 F C 2.138 177.884 175.800 -0.090 0.000 1.133 60 F CA 1.647 59.584 58.000 -0.105 0.000 1.188 60 F CB -0.724 38.145 39.000 -0.218 0.000 0.968 60 F HN -0.122 nan 8.300 nan 0.000 0.476 61 V N 0.607 120.433 119.914 -0.146 0.000 2.332 61 V HA -0.278 3.843 4.120 0.001 0.000 0.248 61 V C 2.741 178.718 176.094 -0.196 0.000 1.055 61 V CA 2.048 64.211 62.300 -0.229 0.000 1.038 61 V CB -1.724 30.057 31.823 -0.071 0.000 0.651 61 V HN 0.604 nan 8.190 nan 0.000 0.450 62 G N -0.174 108.562 108.800 -0.107 0.000 2.448 62 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 62 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 62 G C 1.752 176.611 174.900 -0.069 0.000 1.127 62 G CA 1.227 46.287 45.100 -0.066 0.000 0.766 62 G HN 0.670 nan 8.290 nan 0.000 0.552 63 S N -0.604 115.035 115.700 -0.101 0.000 2.555 63 S HA 0.268 4.738 4.470 0.001 0.000 0.230 63 S C 0.805 175.341 174.600 -0.106 0.000 0.978 63 S CA -0.186 57.974 58.200 -0.067 0.000 0.934 63 S CB -0.167 62.997 63.200 -0.061 0.000 0.766 63 S HN 0.160 nan 8.310 nan 0.000 0.533 64 L N 1.930 123.045 121.223 -0.180 0.000 2.309 64 L HA 0.461 4.802 4.340 0.001 0.000 0.282 64 L C 0.188 176.997 176.870 -0.100 0.000 1.036 64 L CA -0.715 54.020 54.840 -0.174 0.000 0.806 64 L CB 1.367 43.247 42.059 -0.297 0.000 1.220 64 L HN 0.163 nan 8.230 nan 0.000 0.429 65 E N 2.398 122.562 120.200 -0.059 0.000 2.398 65 E HA 0.103 4.453 4.350 0.001 0.000 0.263 65 E C -0.719 175.852 176.600 -0.049 0.000 1.046 65 E CA -0.044 56.335 56.400 -0.035 0.000 0.908 65 E CB 0.805 30.501 29.700 -0.007 0.000 0.963 65 E HN 0.373 nan 8.360 nan 0.000 0.431 66 K N 2.656 123.032 120.400 -0.039 0.000 2.098 66 K HA 0.285 4.605 4.320 0.001 0.000 0.261 66 K C -2.154 174.427 176.600 -0.033 0.000 0.987 66 K CA -1.709 54.553 56.287 -0.041 0.000 0.916 66 K CB 0.407 32.885 32.500 -0.035 0.000 1.039 66 K HN 0.359 nan 8.250 nan 0.000 0.455 67 P HA 0.069 nan 4.420 nan 0.000 0.267 67 P C -0.881 176.385 177.300 -0.057 0.000 1.205 67 P CA -0.064 63.011 63.100 -0.043 0.000 0.765 67 P CB 0.579 32.255 31.700 -0.041 0.000 0.828 68 R N 2.700 123.159 120.500 -0.069 0.000 2.449 68 R HA 0.164 4.504 4.340 0.001 0.000 0.296 68 R C 0.519 176.753 176.300 -0.111 0.000 1.047 68 R CA 0.104 56.142 56.100 -0.104 0.000 1.018 68 R CB 0.373 30.601 30.300 -0.120 0.000 0.962 68 R HN 0.395 nan 8.270 nan 0.000 0.428 69 R N 4.232 124.642 120.500 -0.151 0.000 2.275 69 R HA 0.361 4.701 4.340 0.001 0.000 0.326 69 R C -0.580 175.457 176.300 -0.439 0.000 0.973 69 R CA -0.305 55.677 56.100 -0.197 0.000 0.854 69 R CB 0.919 31.183 30.300 -0.060 0.000 1.156 69 R HN 0.443 nan 8.270 nan 0.000 0.487 70 I N 3.472 123.859 120.570 -0.305 0.000 2.436 70 I HA 0.332 4.502 4.170 0.001 0.000 0.289 70 I C -0.417 175.594 176.117 -0.177 0.000 1.010 70 I CA -0.689 60.469 61.300 -0.237 0.000 1.098 70 I CB 2.048 40.047 38.000 -0.002 0.000 1.266 70 I HN 0.427 nan 8.210 nan 0.000 0.434 71 M N 7.485 126.964 119.600 -0.201 0.000 2.114 71 M HA 0.479 4.960 4.480 0.001 0.000 0.332 71 M C -1.347 174.984 176.300 0.052 0.000 1.014 71 M CA -0.501 54.795 55.300 -0.006 0.000 0.956 71 M CB 0.954 33.639 32.600 0.142 0.000 1.551 71 M HN 0.439 nan 8.290 nan 0.000 0.427 72 L N 6.382 127.648 121.223 0.072 0.000 2.313 72 L HA 0.317 4.658 4.340 0.001 0.000 0.282 72 L C -0.202 176.720 176.870 0.086 0.000 1.092 72 L CA -0.148 54.739 54.840 0.078 0.000 0.831 72 L CB 0.713 42.838 42.059 0.110 0.000 1.159 72 L HN 0.751 nan 8.230 nan 0.000 0.442 73 M N 5.517 125.158 119.600 0.069 0.000 3.062 73 M HA 0.247 4.727 4.480 0.001 0.000 0.270 73 M C -0.397 175.933 176.300 0.051 0.000 1.270 73 M CA -0.264 55.076 55.300 0.066 0.000 0.702 73 M CB 0.644 33.283 32.600 0.065 0.000 1.398 73 M HN 0.373 nan 8.290 nan 0.000 0.490 74 V N -1.442 118.505 119.914 0.055 0.000 3.096 74 V HA 0.570 4.690 4.120 0.001 0.000 0.319 74 V C 0.208 176.331 176.094 0.049 0.000 1.103 74 V CA -1.033 61.293 62.300 0.044 0.000 1.016 74 V CB 1.640 33.488 31.823 0.041 0.000 1.090 74 V HN 0.634 nan 8.190 nan 0.000 0.449 75 Q N 1.166 120.989 119.800 0.039 0.000 2.304 75 Q HA 0.363 4.703 4.340 0.001 0.000 0.301 75 Q C 0.297 176.327 176.000 0.051 0.000 1.063 75 Q CA 0.285 56.112 55.803 0.040 0.000 0.947 75 Q CB 0.800 29.556 28.738 0.029 0.000 1.201 75 Q HN 1.250 nan 8.270 nan 0.000 0.389 76 A N 3.247 126.103 122.820 0.060 0.000 2.386 76 A HA 0.581 4.901 4.320 0.001 0.000 0.248 76 A C 0.802 178.425 177.584 0.066 0.000 1.082 76 A CA 0.548 52.629 52.037 0.073 0.000 0.789 76 A CB -0.041 19.022 19.000 0.105 0.000 1.025 76 A HN 1.281 nan 8.150 nan 0.000 0.490 77 G N -0.080 108.756 108.800 0.059 0.000 2.503 77 G HA2 0.186 4.146 3.960 0.001 0.000 0.235 77 G HA3 0.186 4.146 3.960 0.001 0.000 0.235 77 G C 1.233 176.150 174.900 0.028 0.000 1.179 77 G CA 1.079 46.206 45.100 0.045 0.000 0.944 77 G HN 2.017 nan 8.290 nan 0.000 0.580 78 A N -0.229 122.605 122.820 0.022 0.000 1.940 78 A HA 0.257 4.578 4.320 0.001 0.000 0.219 78 A C 2.971 180.564 177.584 0.015 0.000 1.176 78 A CA 3.796 55.840 52.037 0.013 0.000 0.631 78 A CB -1.054 17.952 19.000 0.011 0.000 0.814 78 A HN 2.350 nan 8.150 nan 0.000 0.446 79 A N -1.279 121.555 122.820 0.022 0.000 1.930 79 A HA -0.054 4.266 4.320 0.001 0.000 0.217 79 A C 2.285 179.888 177.584 0.031 0.000 1.175 79 A CA 2.175 54.227 52.037 0.024 0.000 0.627 79 A CB -1.110 17.905 19.000 0.026 0.000 0.815 79 A HN 0.421 nan 8.150 nan 0.000 0.443 80 T N 0.118 114.696 114.554 0.041 0.000 2.821 80 T HA -0.108 4.242 4.350 0.001 0.000 0.267 80 T C 1.495 176.219 174.700 0.040 0.000 1.046 80 T CA 1.397 63.532 62.100 0.058 0.000 1.139 80 T CB -0.339 68.579 68.868 0.083 0.000 0.871 80 T HN 0.459 nan 8.240 nan 0.000 0.454 81 D N 1.206 121.614 120.400 0.015 0.000 2.144 81 D HA -0.009 4.632 4.640 0.001 0.000 0.200 81 D C 2.373 178.667 176.300 -0.009 0.000 0.978 81 D CA 1.094 55.086 54.000 -0.013 0.000 0.833 81 D CB -0.193 40.592 40.800 -0.025 0.000 0.961 81 D HN 0.390 nan 8.370 nan 0.000 0.470 82 A N 0.603 123.424 122.820 0.002 0.000 1.877 82 A HA -0.152 4.168 4.320 0.001 0.000 0.216 82 A C 2.399 179.985 177.584 0.005 0.000 1.186 82 A CA 1.969 54.008 52.037 0.002 0.000 0.620 82 A CB -0.853 18.151 19.000 0.008 0.000 0.822 82 A HN 0.175 nan 8.150 nan 0.000 0.443 83 T N 0.261 114.824 114.554 0.015 0.000 2.821 83 T HA -0.060 4.290 4.350 0.001 0.000 0.267 83 T C 1.791 176.497 174.700 0.010 0.000 1.046 83 T CA 1.427 63.537 62.100 0.016 0.000 1.139 83 T CB -0.395 68.492 68.868 0.032 0.000 0.871 83 T HN 0.412 nan 8.240 nan 0.000 0.454 84 I N 0.900 121.482 120.570 0.020 0.000 2.142 84 I HA -0.191 3.980 4.170 0.001 0.000 0.240 84 I C 2.626 178.738 176.117 -0.009 0.000 1.078 84 I CA 1.359 62.668 61.300 0.016 0.000 1.343 84 I CB -0.305 37.689 38.000 -0.010 0.000 1.046 84 I HN 0.159 nan 8.210 nan 0.000 0.405 85 K N 0.728 121.116 120.400 -0.019 0.000 2.113 85 K HA -0.194 4.126 4.320 0.001 0.000 0.208 85 K C 2.186 178.774 176.600 -0.019 0.000 1.047 85 K CA 1.834 58.108 56.287 -0.022 0.000 0.928 85 K CB -0.002 32.486 32.500 -0.021 0.000 0.716 85 K HN 0.194 nan 8.250 nan 0.000 0.446 86 S N 0.827 116.516 115.700 -0.018 0.000 2.402 86 S HA -0.062 4.409 4.470 0.001 0.000 0.229 86 S C 1.756 176.334 174.600 -0.037 0.000 1.021 86 S CA 0.957 59.140 58.200 -0.027 0.000 0.974 86 S CB -0.071 63.110 63.200 -0.033 0.000 0.800 86 S HN 0.254 nan 8.310 nan 0.000 0.484 87 L N 0.792 121.998 121.223 -0.028 0.000 2.162 87 L HA 0.101 4.441 4.340 0.001 0.000 0.205 87 L C 2.269 179.134 176.870 -0.008 0.000 1.086 87 L CA 0.432 55.262 54.840 -0.018 0.000 0.778 87 L CB -0.417 41.647 42.059 0.010 0.000 0.928 87 L HN 0.264 nan 8.230 nan 0.000 0.446 88 L N 0.650 121.868 121.223 -0.008 0.000 2.010 88 L HA -0.237 4.103 4.340 0.001 0.000 0.219 88 L C -0.199 176.665 176.870 -0.010 0.000 1.077 88 L CA 2.193 57.029 54.840 -0.008 0.000 0.773 88 L CB -1.391 40.658 42.059 -0.016 0.000 0.892 88 L HN 0.254 nan 8.230 nan 0.000 0.436 89 P HA -0.127 nan 4.420 nan 0.000 0.225 89 P C 1.595 178.886 177.300 -0.014 0.000 1.148 89 P CA 1.175 64.266 63.100 -0.014 0.000 0.779 89 P CB 0.093 31.784 31.700 -0.014 0.000 0.780 90 L N -2.438 118.775 121.223 -0.016 0.000 2.477 90 L HA 0.110 4.450 4.340 0.001 0.000 0.220 90 L C 1.091 177.949 176.870 -0.020 0.000 1.106 90 L CA -0.018 54.811 54.840 -0.019 0.000 0.851 90 L CB -0.296 41.750 42.059 -0.022 0.000 0.994 90 L HN -0.061 nan 8.230 nan 0.000 0.462 91 L N -0.275 120.939 121.223 -0.015 0.000 2.439 91 L HA 0.238 4.578 4.340 0.001 0.000 0.261 91 L C -0.253 176.608 176.870 -0.016 0.000 1.153 91 L CA -0.395 54.435 54.840 -0.016 0.000 0.808 91 L CB 0.595 42.651 42.059 -0.004 0.000 1.126 91 L HN -0.025 nan 8.230 nan 0.000 0.460 92 D N 0.945 121.334 120.400 -0.019 0.000 2.277 92 D HA 0.390 5.030 4.640 0.001 0.000 0.250 92 D C 0.073 176.367 176.300 -0.010 0.000 1.032 92 D CA -0.443 53.547 54.000 -0.016 0.000 0.947 92 D CB 1.998 42.786 40.800 -0.020 0.000 1.159 92 D HN 0.237 nan 8.370 nan 0.000 0.460 93 I N 0.829 121.395 120.570 -0.008 0.000 2.752 93 I HA 0.040 4.210 4.170 0.001 0.000 0.289 93 I C 1.639 177.752 176.117 -0.005 0.000 1.197 93 I CA 1.045 62.343 61.300 -0.003 0.000 1.432 93 I CB 0.242 38.241 38.000 -0.003 0.000 1.359 93 I HN 0.752 nan 8.210 nan 0.000 0.571 94 G N 3.768 112.567 108.800 -0.001 0.000 2.213 94 G HA2 -0.210 3.750 3.960 0.001 0.000 0.236 94 G HA3 -0.210 3.750 3.960 0.001 0.000 0.236 94 G C 0.089 174.984 174.900 -0.009 0.000 0.991 94 G CA -0.344 44.753 45.100 -0.005 0.000 0.629 94 G HN 0.582 nan 8.290 nan 0.000 0.517 95 D N 0.253 120.648 120.400 -0.008 0.000 2.368 95 D HA 0.492 5.132 4.640 0.001 0.000 0.240 95 D C 0.815 177.116 176.300 0.002 0.000 1.169 95 D CA 0.452 54.443 54.000 -0.015 0.000 0.906 95 D CB 0.750 41.539 40.800 -0.019 0.000 1.187 95 D HN 0.359 nan 8.370 nan 0.000 0.435 96 I N 1.579 122.142 120.570 -0.012 0.000 2.439 96 I HA 0.209 4.379 4.170 0.001 0.000 0.283 96 I C -0.308 175.809 176.117 -0.000 0.000 1.023 96 I CA -0.527 60.771 61.300 -0.002 0.000 1.100 96 I CB 1.185 39.162 38.000 -0.038 0.000 1.238 96 I HN -0.006 nan 8.210 nan 0.000 0.445 97 L N 6.862 128.124 121.223 0.066 0.000 2.357 97 L HA 0.604 4.944 4.340 0.001 0.000 0.273 97 L C -0.460 176.361 176.870 -0.082 0.000 1.080 97 L CA -0.644 54.245 54.840 0.082 0.000 0.803 97 L CB 1.581 43.818 42.059 0.296 0.000 1.174 97 L HN 0.478 nan 8.230 nan 0.000 0.443 98 I N 1.483 121.994 120.570 -0.098 0.000 2.478 98 I HA 0.222 4.393 4.170 0.001 0.000 0.287 98 I C -1.090 174.962 176.117 -0.108 0.000 1.042 98 I CA -0.558 60.644 61.300 -0.163 0.000 1.067 98 I CB 2.178 40.214 38.000 0.059 0.000 1.233 98 I HN 0.459 nan 8.210 nan 0.000 0.431 99 D N 4.598 124.864 120.400 -0.223 0.000 2.373 99 D HA 0.390 5.030 4.640 0.001 0.000 0.227 99 D C 0.790 177.168 176.300 0.129 0.000 1.091 99 D CA -0.329 53.702 54.000 0.050 0.000 0.840 99 D CB 1.772 42.710 40.800 0.230 0.000 1.060 99 D HN 0.681 nan 8.370 nan 0.000 0.502 100 G N 2.581 111.465 108.800 0.139 0.000 3.233 100 G HA2 0.309 4.269 3.960 0.001 0.000 0.234 100 G HA3 0.309 4.269 3.960 0.001 0.000 0.234 100 G C 0.738 175.739 174.900 0.169 0.000 1.137 100 G CA -0.145 45.036 45.100 0.137 0.000 0.763 100 G HN 0.565 nan 8.290 nan 0.000 0.549 101 G N 0.101 109.008 108.800 0.179 0.000 2.572 101 G HA2 0.281 4.241 3.960 0.001 0.000 0.261 101 G HA3 0.281 4.241 3.960 0.001 0.000 0.261 101 G C -0.235 174.737 174.900 0.119 0.000 1.197 101 G CA -0.650 44.526 45.100 0.127 0.000 0.870 101 G HN 0.147 nan 8.290 nan 0.000 0.548 102 N N 0.121 118.881 118.700 0.101 0.000 2.549 102 N HA 0.192 4.932 4.740 0.001 0.000 0.267 102 N C -0.192 175.406 175.510 0.145 0.000 1.182 102 N CA 0.091 53.221 53.050 0.132 0.000 1.019 102 N CB 0.083 38.650 38.487 0.133 0.000 1.380 102 N HN 0.249 nan 8.380 nan 0.000 0.505 103 T N 2.351 116.800 114.554 -0.176 0.000 2.829 103 T HA 0.094 4.444 4.350 0.001 0.000 0.282 103 T C -0.328 174.195 174.700 -0.296 0.000 0.990 103 T CA -0.494 61.440 62.100 -0.277 0.000 1.028 103 T CB 0.546 69.064 68.868 -0.584 0.000 0.951 103 T HN 0.428 nan 8.240 nan 0.000 0.460 104 H N 3.422 122.135 119.070 -0.595 0.000 2.929 104 H HA 0.043 4.599 4.556 0.001 0.000 0.317 104 H C 1.081 176.095 175.328 -0.523 0.000 1.031 104 H CA -0.474 54.940 56.048 -1.056 0.000 1.466 104 H CB 0.333 29.308 29.762 -1.310 0.000 1.482 104 H HN 0.757 nan 8.280 nan 0.000 0.561 105 F N 5.346 124.987 119.950 -0.514 0.000 2.202 105 F HA -0.005 4.522 4.527 0.001 0.000 0.301 105 F C -1.384 174.259 175.800 -0.262 0.000 1.082 105 F CA -0.183 57.672 58.000 -0.242 0.000 1.313 105 F CB -1.698 37.269 39.000 -0.055 0.000 1.024 105 F HN 0.444 nan 8.300 nan 0.000 0.495 106 P HA -0.103 nan 4.420 nan 0.000 0.220 106 P C 0.981 178.047 177.300 -0.391 0.000 1.148 106 P CA 1.657 64.254 63.100 -0.838 0.000 0.803 106 P CB -0.058 31.080 31.700 -0.938 0.000 0.782 107 D N -1.120 119.074 120.400 -0.344 0.000 2.117 107 D HA -0.109 4.531 4.640 0.001 0.000 0.197 107 D C 1.833 178.095 176.300 -0.064 0.000 0.987 107 D CA 1.454 55.355 54.000 -0.165 0.000 0.829 107 D CB -0.948 39.775 40.800 -0.127 0.000 0.961 107 D HN 0.132 nan 8.370 nan 0.000 0.460 108 T N 0.909 115.479 114.554 0.028 0.000 2.746 108 T HA -0.107 4.243 4.350 0.001 0.000 0.267 108 T C 2.148 176.948 174.700 0.167 0.000 1.039 108 T CA 0.925 63.171 62.100 0.243 0.000 1.142 108 T CB -0.143 68.963 68.868 0.396 0.000 0.866 108 T HN 0.150 nan 8.240 nan 0.000 0.444 109 M N 0.493 120.145 119.600 0.085 0.000 2.159 109 M HA -0.095 4.385 4.480 0.001 0.000 0.263 109 M C 2.526 178.835 176.300 0.014 0.000 1.063 109 M CA 1.483 56.830 55.300 0.077 0.000 1.110 109 M CB -0.349 32.280 32.600 0.048 0.000 1.374 109 M HN 0.142 nan 8.290 nan 0.000 0.411 110 R N 0.696 121.167 120.500 -0.049 0.000 2.062 110 R HA -0.113 4.228 4.340 0.001 0.000 0.231 110 R C 2.184 178.412 176.300 -0.119 0.000 1.136 110 R CA 1.562 57.617 56.100 -0.076 0.000 0.948 110 R CB -0.097 30.145 30.300 -0.096 0.000 0.845 110 R HN 0.235 nan 8.270 nan 0.000 0.430 111 R N 0.581 120.962 120.500 -0.199 0.000 2.091 111 R HA -0.130 4.210 4.340 0.001 0.000 0.238 111 R C 2.406 178.449 176.300 -0.429 0.000 1.136 111 R CA 1.706 57.545 56.100 -0.434 0.000 0.959 111 R CB -0.653 29.169 30.300 -0.798 0.000 0.856 111 R HN 0.423 nan 8.270 nan 0.000 0.437 112 N N 0.788 119.378 118.700 -0.183 0.000 2.104 112 N HA -0.184 4.556 4.740 0.001 0.000 0.190 112 N C 1.629 177.155 175.510 0.028 0.000 1.024 112 N CA 1.765 54.858 53.050 0.072 0.000 0.853 112 N CB -0.003 38.629 38.487 0.243 0.000 1.008 112 N HN 0.248 nan 8.380 nan 0.000 0.424 113 A N 0.998 123.821 122.820 0.005 0.000 1.873 113 A HA -0.114 4.207 4.320 0.001 0.000 0.215 113 A C 2.110 179.682 177.584 -0.020 0.000 1.186 113 A CA 1.372 53.414 52.037 0.007 0.000 0.616 113 A CB -0.567 18.437 19.000 0.007 0.000 0.823 113 A HN 0.486 nan 8.150 nan 0.000 0.442 114 E N -0.217 119.948 120.200 -0.059 0.000 2.072 114 E HA -0.124 4.226 4.350 0.001 0.000 0.191 114 E C 1.942 178.505 176.600 -0.061 0.000 0.985 114 E CA 1.128 57.489 56.400 -0.065 0.000 0.801 114 E CB -0.274 29.371 29.700 -0.091 0.000 0.750 114 E HN 0.602 nan 8.360 nan 0.000 0.452 115 L N 0.502 121.673 121.223 -0.087 0.000 2.141 115 L HA -0.121 4.219 4.340 0.001 0.000 0.209 115 L C 2.518 179.389 176.870 0.001 0.000 1.094 115 L CA 0.718 55.527 54.840 -0.051 0.000 0.763 115 L CB -0.361 41.659 42.059 -0.066 0.000 0.908 115 L HN 0.138 nan 8.230 nan 0.000 0.437 116 A N -0.186 122.643 122.820 0.015 0.000 1.972 116 A HA -0.220 4.100 4.320 0.001 0.000 0.219 116 A C 1.860 179.453 177.584 0.016 0.000 1.169 116 A CA 1.816 53.871 52.037 0.030 0.000 0.635 116 A CB -0.419 18.607 19.000 0.043 0.000 0.810 116 A HN 0.342 nan 8.150 nan 0.000 0.446 117 D N -0.175 120.227 120.400 0.004 0.000 2.219 117 D HA -0.040 4.600 4.640 0.001 0.000 0.205 117 D C 1.616 177.915 176.300 -0.002 0.000 0.970 117 D CA 1.295 55.295 54.000 0.000 0.000 0.851 117 D CB -0.157 40.639 40.800 -0.006 0.000 0.943 117 D HN 0.353 nan 8.370 nan 0.000 0.488 118 S N -0.996 114.701 115.700 -0.004 0.000 2.575 118 S HA 0.273 4.743 4.470 0.001 0.000 0.215 118 S C 1.439 176.041 174.600 0.003 0.000 0.966 118 S CA 0.455 58.653 58.200 -0.004 0.000 0.911 118 S CB 0.660 63.854 63.200 -0.009 0.000 0.780 118 S HN 0.418 nan 8.310 nan 0.000 0.514 119 G N 1.781 110.587 108.800 0.010 0.000 2.147 119 G HA2 -0.204 3.757 3.960 0.001 0.000 0.244 119 G HA3 -0.204 3.757 3.960 0.001 0.000 0.244 119 G C -0.111 174.801 174.900 0.020 0.000 1.005 119 G CA -0.196 44.912 45.100 0.013 0.000 0.713 119 G HN 0.424 nan 8.290 nan 0.000 0.515 120 I N 0.875 121.463 120.570 0.030 0.000 2.377 120 I HA 0.324 4.495 4.170 0.001 0.000 0.293 120 I C 0.217 176.385 176.117 0.085 0.000 0.987 120 I CA -1.435 59.895 61.300 0.049 0.000 1.185 120 I CB 1.061 39.092 38.000 0.052 0.000 1.341 120 I HN 0.021 nan 8.210 nan 0.000 0.455 121 N N 5.090 123.843 118.700 0.088 0.000 2.530 121 N HA 0.287 5.027 4.740 0.001 0.000 0.273 121 N C -1.139 174.492 175.510 0.203 0.000 1.173 121 N CA -0.010 53.109 53.050 0.115 0.000 0.967 121 N CB 1.744 40.269 38.487 0.063 0.000 1.109 121 N HN 0.389 nan 8.380 nan 0.000 0.453 122 F N 2.760 122.732 119.950 0.036 0.000 2.539 122 F HA 0.413 4.941 4.527 0.001 0.000 0.328 122 F C -0.978 174.855 175.800 0.056 0.000 1.148 122 F CA -0.955 57.072 58.000 0.045 0.000 0.940 122 F CB 0.818 39.843 39.000 0.041 0.000 1.194 122 F HN 0.237 nan 8.300 nan 0.000 0.438 123 I N 5.714 126.012 120.570 -0.454 0.000 2.388 123 I HA 0.284 4.455 4.170 0.001 0.000 0.281 123 I C 0.697 176.506 176.117 -0.514 0.000 1.046 123 I CA -0.391 60.725 61.300 -0.307 0.000 1.187 123 I CB 0.663 38.615 38.000 -0.079 0.000 1.351 123 I HN 0.726 nan 8.210 nan 0.000 0.472 124 G N 3.887 112.413 108.800 -0.456 0.000 2.360 124 G HA2 0.310 4.270 3.960 0.001 0.000 0.279 124 G HA3 0.310 4.270 3.960 0.001 0.000 0.279 124 G C -0.082 174.426 174.900 -0.653 0.000 1.189 124 G CA 0.061 44.911 45.100 -0.416 0.000 0.941 124 G HN 0.510 nan 8.290 nan 0.000 0.445 125 T N 1.461 115.628 114.554 -0.645 0.000 2.841 125 T HA 0.609 4.960 4.350 0.001 0.000 0.285 125 T C 0.554 175.060 174.700 -0.323 0.000 0.991 125 T CA -0.069 61.775 62.100 -0.426 0.000 0.966 125 T CB 0.975 69.799 68.868 -0.073 0.000 0.962 125 T HN 0.686 nan 8.240 nan 0.000 0.438 126 G N 2.615 111.270 108.800 -0.241 0.000 2.403 126 G HA2 0.533 4.493 3.960 0.001 0.000 0.259 126 G HA3 0.533 4.493 3.960 0.001 0.000 0.259 126 G C -0.739 174.127 174.900 -0.056 0.000 1.244 126 G CA -0.287 44.815 45.100 0.003 0.000 0.849 126 G HN 0.737 nan 8.290 nan 0.000 0.532 127 V N 2.320 122.221 119.914 -0.022 0.000 2.380 127 V HA 0.347 4.468 4.120 0.001 0.000 0.286 127 V C 0.130 176.191 176.094 -0.055 0.000 1.015 127 V CA -0.706 61.555 62.300 -0.065 0.000 0.834 127 V CB 1.037 32.828 31.823 -0.053 0.000 1.009 127 V HN 0.756 nan 8.190 nan 0.000 0.428 128 S N 2.340 117.984 115.700 -0.094 0.000 2.713 128 S HA 0.808 5.278 4.470 0.001 0.000 0.283 128 S C 1.131 175.714 174.600 -0.027 0.000 1.161 128 S CA 0.397 58.548 58.200 -0.082 0.000 0.999 128 S CB 1.570 64.644 63.200 -0.210 0.000 1.039 128 S HN 1.472 nan 8.310 nan 0.000 0.548 129 G N -0.215 108.592 108.800 0.012 0.000 2.201 129 G HA2 0.158 4.118 3.960 0.001 0.000 0.212 129 G HA3 0.158 4.118 3.960 0.001 0.000 0.212 129 G C 0.763 175.676 174.900 0.021 0.000 0.994 129 G CA 0.093 45.202 45.100 0.014 0.000 0.644 129 G HN 1.766 nan 8.290 nan 0.000 0.508 130 G N 0.101 108.916 108.800 0.024 0.000 2.569 130 G HA2 -0.220 3.741 3.960 0.001 0.000 0.259 130 G HA3 -0.220 3.741 3.960 0.001 0.000 0.259 130 G C 0.672 175.582 174.900 0.018 0.000 1.263 130 G CA 1.026 46.141 45.100 0.026 0.000 0.928 130 G HN 0.943 nan 8.290 nan 0.000 0.572 131 E N -0.037 120.176 120.200 0.021 0.000 2.077 131 E HA -0.115 4.235 4.350 0.001 0.000 0.193 131 E C 2.473 179.082 176.600 0.015 0.000 0.989 131 E CA 1.320 57.731 56.400 0.019 0.000 0.800 131 E CB -0.073 29.640 29.700 0.022 0.000 0.746 131 E HN 0.486 nan 8.360 nan 0.000 0.452 132 K N 0.463 120.873 120.400 0.016 0.000 2.025 132 K HA -0.118 4.202 4.320 0.001 0.000 0.207 132 K C 2.267 178.867 176.600 0.000 0.000 1.049 132 K CA 1.294 57.588 56.287 0.011 0.000 0.933 132 K CB -0.282 32.227 32.500 0.015 0.000 0.714 132 K HN 0.159 nan 8.250 nan 0.000 0.438 133 G N 0.577 109.375 108.800 -0.003 0.000 2.469 133 G HA2 -0.307 3.653 3.960 0.001 0.000 0.219 133 G HA3 -0.307 3.653 3.960 0.001 0.000 0.219 133 G C 1.547 176.436 174.900 -0.019 0.000 1.150 133 G CA 1.118 46.209 45.100 -0.015 0.000 0.763 133 G HN 0.446 nan 8.290 nan 0.000 0.561 134 A N 0.283 123.096 122.820 -0.012 0.000 1.902 134 A HA 0.051 4.372 4.320 0.001 0.000 0.217 134 A C 2.367 179.944 177.584 -0.012 0.000 1.181 134 A CA 1.754 53.782 52.037 -0.015 0.000 0.623 134 A CB -0.454 18.546 19.000 -0.000 0.000 0.818 134 A HN 0.444 nan 8.150 nan 0.000 0.443 135 L N -0.738 120.482 121.223 -0.004 0.000 2.027 135 L HA -0.026 4.314 4.340 0.001 0.000 0.206 135 L C 2.085 178.952 176.870 -0.005 0.000 1.074 135 L CA 1.860 56.698 54.840 -0.002 0.000 0.745 135 L CB -0.284 41.778 42.059 0.006 0.000 0.898 135 L HN 0.394 nan 8.230 nan 0.000 0.433 136 L N -1.814 119.404 121.223 -0.007 0.000 2.537 136 L HA 0.425 4.766 4.340 0.001 0.000 0.224 136 L C 0.421 177.283 176.870 -0.013 0.000 1.065 136 L CA 0.346 55.181 54.840 -0.007 0.000 0.860 136 L CB 0.168 42.223 42.059 -0.006 0.000 1.086 136 L HN 0.369 nan 8.230 nan 0.000 0.482 137 G N 1.370 110.157 108.800 -0.021 0.000 1.873 137 G HA2 0.130 4.090 3.960 0.001 0.000 0.199 137 G HA3 0.130 4.090 3.960 0.001 0.000 0.199 137 G C -3.254 171.627 174.900 -0.032 0.000 1.821 137 G CA -0.626 44.459 45.100 -0.026 0.000 0.955 137 G HN -0.295 nan 8.290 nan 0.000 0.616 138 P HA 0.536 nan 4.420 nan 0.000 0.281 138 P C 0.046 177.319 177.300 -0.044 0.000 1.264 138 P CA -0.432 62.636 63.100 -0.053 0.000 0.824 138 P CB 2.014 33.662 31.700 -0.086 0.000 1.092 139 S N 1.349 117.035 115.700 -0.024 0.000 2.489 139 S HA 0.489 4.959 4.470 0.001 0.000 0.277 139 S C -0.206 174.368 174.600 -0.044 0.000 1.230 139 S CA -0.457 57.748 58.200 0.009 0.000 1.053 139 S CB -0.804 62.450 63.200 0.089 0.000 0.955 139 S HN 0.259 nan 8.310 nan 0.000 0.488 140 M N 4.801 124.366 119.600 -0.057 0.000 2.465 140 M HA 0.464 4.944 4.480 0.001 0.000 0.316 140 M C -0.948 175.307 176.300 -0.075 0.000 1.121 140 M CA -0.289 54.939 55.300 -0.119 0.000 0.934 140 M CB 2.129 34.578 32.600 -0.252 0.000 1.692 140 M HN 0.509 nan 8.290 nan 0.000 0.444 141 M N 4.622 124.159 119.600 -0.104 0.000 1.986 141 M HA 0.335 4.816 4.480 0.001 0.000 0.247 141 M C -2.502 173.665 176.300 -0.221 0.000 0.851 141 M CA -1.411 53.807 55.300 -0.137 0.000 0.785 141 M CB 1.076 33.629 32.600 -0.078 0.000 1.554 141 M HN 0.142 nan 8.290 nan 0.000 0.361 142 P HA 0.514 nan 4.420 nan 0.000 0.284 142 P C -0.356 176.683 177.300 -0.436 0.000 1.253 142 P CA -0.059 62.900 63.100 -0.236 0.000 0.800 142 P CB 1.738 33.420 31.700 -0.030 0.000 0.961 143 G N 0.246 108.810 108.800 -0.394 0.000 2.659 143 G HA2 0.738 4.699 3.960 0.001 0.000 0.296 143 G HA3 0.738 4.699 3.960 0.001 0.000 0.296 143 G C -0.688 174.094 174.900 -0.197 0.000 1.369 143 G CA -0.563 44.268 45.100 -0.449 0.000 0.937 143 G HN 0.785 nan 8.290 nan 0.000 0.485 144 G N -0.376 108.391 108.800 -0.055 0.000 2.332 144 G HA2 0.350 4.310 3.960 0.001 0.000 0.265 144 G HA3 0.350 4.310 3.960 0.001 0.000 0.265 144 G C -1.189 173.836 174.900 0.209 0.000 1.329 144 G CA -0.903 44.247 45.100 0.085 0.000 0.949 144 G HN 0.771 nan 8.290 nan 0.000 0.476 145 Q N 0.256 120.150 119.800 0.157 0.000 2.274 145 Q HA 0.397 4.737 4.340 0.001 0.000 0.280 145 Q C 1.313 177.353 176.000 0.066 0.000 1.047 145 Q CA 0.219 56.092 55.803 0.117 0.000 0.907 145 Q CB 1.541 30.323 28.738 0.074 0.000 1.171 145 Q HN 0.600 nan 8.270 nan 0.000 0.381 146 K N 2.970 123.337 120.400 -0.056 0.000 2.057 146 K HA -0.192 4.128 4.320 0.001 0.000 0.207 146 K C 0.917 177.398 176.600 -0.199 0.000 1.049 146 K CA 1.736 57.794 56.287 -0.382 0.000 0.931 146 K CB 0.199 32.422 32.500 -0.462 0.000 0.714 146 K HN 0.687 nan 8.250 nan 0.000 0.440 147 E N -0.366 119.769 120.200 -0.108 0.000 2.085 147 E HA -0.191 4.159 4.350 0.001 0.000 0.194 147 E C 1.934 178.486 176.600 -0.079 0.000 0.994 147 E CA 1.129 57.478 56.400 -0.085 0.000 0.801 147 E CB -0.202 29.466 29.700 -0.053 0.000 0.743 147 E HN 0.449 nan 8.360 nan 0.000 0.453 148 A N 0.959 123.752 122.820 -0.045 0.000 1.858 148 A HA -0.218 4.102 4.320 0.001 0.000 0.216 148 A C 2.062 179.597 177.584 -0.083 0.000 1.190 148 A CA 1.441 53.451 52.037 -0.045 0.000 0.617 148 A CB -0.881 18.119 19.000 -0.000 0.000 0.827 148 A HN 0.400 nan 8.150 nan 0.000 0.443 149 Y N 1.386 121.600 120.300 -0.144 0.000 2.207 149 Y HA -0.237 4.314 4.550 0.001 0.000 0.287 149 Y C 1.731 177.513 175.900 -0.197 0.000 1.156 149 Y CA 1.976 59.976 58.100 -0.167 0.000 1.182 149 Y CB -0.277 38.123 38.460 -0.099 0.000 0.979 149 Y HN 0.363 nan 8.280 nan 0.000 0.521 150 D N 0.194 120.404 120.400 -0.317 0.000 2.182 150 D HA -0.186 4.454 4.640 0.001 0.000 0.201 150 D C 2.132 178.229 176.300 -0.337 0.000 0.986 150 D CA 1.550 55.352 54.000 -0.330 0.000 0.847 150 D CB -0.314 40.377 40.800 -0.182 0.000 0.942 150 D HN 0.435 nan 8.370 nan 0.000 0.467 151 L N -0.106 120.948 121.223 -0.282 0.000 2.313 151 L HA -0.044 4.296 4.340 0.001 0.000 0.214 151 L C 2.177 178.865 176.870 -0.304 0.000 1.119 151 L CA 0.286 54.988 54.840 -0.231 0.000 0.809 151 L CB 0.099 42.066 42.059 -0.152 0.000 0.933 151 L HN -0.075 nan 8.230 nan 0.000 0.449 152 V N -0.503 119.131 119.914 -0.468 0.000 2.992 152 V HA 0.018 4.138 4.120 0.001 0.000 0.250 152 V C 2.632 178.251 176.094 -0.791 0.000 1.090 152 V CA 1.069 63.001 62.300 -0.613 0.000 1.101 152 V CB -0.048 31.341 31.823 -0.722 0.000 0.743 152 V HN 0.373 nan 8.190 nan 0.000 0.468 153 A N 1.176 123.454 122.820 -0.903 0.000 1.903 153 A HA -0.185 4.136 4.320 0.001 0.000 0.219 153 A C 0.478 177.894 177.584 -0.280 0.000 1.191 153 A CA 2.368 53.976 52.037 -0.715 0.000 0.638 153 A CB -1.933 16.661 19.000 -0.676 0.000 0.823 153 A HN 0.517 nan 8.150 nan 0.000 0.451 154 P HA -0.165 nan 4.420 nan 0.000 0.215 154 P C 1.424 178.682 177.300 -0.071 0.000 1.157 154 P CA 1.148 64.187 63.100 -0.103 0.000 0.874 154 P CB -0.153 31.500 31.700 -0.079 0.000 0.790 155 I N -2.445 118.013 120.570 -0.186 0.000 2.179 155 I HA -0.239 3.931 4.170 0.001 0.000 0.242 155 I C 2.184 178.306 176.117 0.009 0.000 1.088 155 I CA 1.341 62.501 61.300 -0.233 0.000 1.357 155 I CB -0.662 36.977 38.000 -0.602 0.000 1.051 155 I HN -0.139 nan 8.210 nan 0.000 0.409 156 F N 1.601 121.435 119.950 -0.193 0.000 2.095 156 F HA -0.200 4.327 4.527 0.001 0.000 0.298 156 F C 2.579 178.353 175.800 -0.043 0.000 1.104 156 F CA 1.320 59.266 58.000 -0.090 0.000 1.232 156 F CB -1.074 37.927 39.000 0.001 0.000 0.987 156 F HN 0.149 nan 8.300 nan 0.000 0.475 157 E N -0.518 119.781 120.200 0.165 0.000 2.153 157 E HA -0.235 4.115 4.350 0.001 0.000 0.194 157 E C 2.073 178.708 176.600 0.059 0.000 0.988 157 E CA 1.165 57.621 56.400 0.093 0.000 0.811 157 E CB -0.230 29.509 29.700 0.066 0.000 0.746 157 E HN 0.537 nan 8.360 nan 0.000 0.466 158 Q N 0.159 119.993 119.800 0.056 0.000 2.137 158 Q HA -0.069 4.271 4.340 0.001 0.000 0.198 158 Q C 2.376 178.397 176.000 0.035 0.000 0.960 158 Q CA 1.145 56.980 55.803 0.053 0.000 0.847 158 Q CB -0.047 28.747 28.738 0.093 0.000 0.915 158 Q HN 0.470 nan 8.270 nan 0.000 0.448 159 I N -2.539 118.042 120.570 0.018 0.000 3.030 159 I HA 0.228 4.398 4.170 0.001 0.000 0.270 159 I C 0.904 177.005 176.117 -0.025 0.000 1.211 159 I CA -0.301 60.991 61.300 -0.012 0.000 1.479 159 I CB -0.212 37.757 38.000 -0.052 0.000 1.105 159 I HN -0.137 nan 8.210 nan 0.000 0.447 160 A N 2.087 124.896 122.820 -0.019 0.000 2.466 160 A HA 0.571 4.892 4.320 0.001 0.000 0.238 160 A C 0.840 178.420 177.584 -0.008 0.000 1.074 160 A CA 0.159 52.181 52.037 -0.026 0.000 0.774 160 A CB -0.141 18.858 19.000 -0.003 0.000 1.015 160 A HN 0.566 nan 8.150 nan 0.000 0.498 161 A N 2.145 124.960 122.820 -0.009 0.000 2.565 161 A HA 0.400 4.720 4.320 0.001 0.000 0.237 161 A C 0.288 177.881 177.584 0.014 0.000 1.053 161 A CA 0.164 52.201 52.037 0.001 0.000 0.755 161 A CB -0.054 18.948 19.000 0.003 0.000 0.980 161 A HN 0.629 nan 8.150 nan 0.000 0.506 162 K N 1.647 122.055 120.400 0.014 0.000 2.183 162 K HA 0.511 4.831 4.320 0.001 0.000 0.274 162 K C 0.116 176.731 176.600 0.025 0.000 1.009 162 K CA -0.144 56.156 56.287 0.021 0.000 0.888 162 K CB 1.445 33.955 32.500 0.018 0.000 1.078 162 K HN 0.749 nan 8.250 nan 0.000 0.459 163 A N 5.209 128.048 122.820 0.033 0.000 2.524 163 A HA 0.161 4.481 4.320 0.001 0.000 0.250 163 A C -1.104 176.500 177.584 0.033 0.000 1.078 163 A CA -0.816 51.245 52.037 0.040 0.000 0.761 163 A CB -0.100 18.927 19.000 0.046 0.000 1.012 163 A HN 0.454 nan 8.150 nan 0.000 0.500 164 P HA -0.198 nan 4.420 nan 0.000 0.222 164 P C 0.889 178.207 177.300 0.030 0.000 1.147 164 P CA 1.168 64.285 63.100 0.030 0.000 0.790 164 P CB 0.224 31.943 31.700 0.033 0.000 0.780 165 Q N 0.649 120.469 119.800 0.034 0.000 2.354 165 Q HA -0.049 4.291 4.340 0.001 0.000 0.203 165 Q C 0.363 176.377 176.000 0.024 0.000 0.933 165 Q CA 1.352 57.173 55.803 0.030 0.000 0.901 165 Q CB -0.445 28.312 28.738 0.033 0.000 1.007 165 Q HN 0.353 nan 8.270 nan 0.000 0.495 166 D N -2.307 118.108 120.400 0.024 0.000 2.530 166 D HA 0.179 4.819 4.640 0.001 0.000 0.290 166 D C 0.915 177.226 176.300 0.019 0.000 1.398 166 D CA 0.304 54.315 54.000 0.019 0.000 0.848 166 D CB -0.250 40.560 40.800 0.018 0.000 1.279 166 D HN 0.213 nan 8.370 nan 0.000 0.483 167 G N 0.889 109.702 108.800 0.021 0.000 2.166 167 G HA2 -0.373 3.587 3.960 0.001 0.000 0.260 167 G HA3 -0.373 3.587 3.960 0.001 0.000 0.260 167 G C 0.098 175.011 174.900 0.022 0.000 0.986 167 G CA 0.447 45.559 45.100 0.020 0.000 0.683 167 G HN 0.453 nan 8.290 nan 0.000 0.527 168 K N 1.169 121.583 120.400 0.025 0.000 2.368 168 K HA 0.354 4.674 4.320 0.001 0.000 0.282 168 K C -2.250 174.369 176.600 0.031 0.000 1.035 168 K CA -1.547 54.756 56.287 0.027 0.000 0.973 168 K CB 0.746 33.261 32.500 0.025 0.000 0.957 168 K HN 0.063 nan 8.250 nan 0.000 0.474 169 P HA -0.017 nan 4.420 nan 0.000 0.268 169 P C -0.555 176.770 177.300 0.042 0.000 1.204 169 P CA -0.247 62.876 63.100 0.039 0.000 0.768 169 P CB 0.454 32.184 31.700 0.049 0.000 0.842 170 C N 4.275 123.599 119.300 0.040 0.000 3.057 170 C HA 0.390 4.850 4.460 0.001 0.000 0.563 170 C C 0.587 175.599 174.990 0.036 0.000 1.129 170 C CA 0.010 59.056 59.018 0.046 0.000 1.284 170 C CB -1.863 25.915 27.740 0.064 0.000 1.532 170 C HN 0.372 nan 8.230 nan 0.000 0.631 171 V N 1.124 121.065 119.914 0.045 0.000 3.048 171 V HA 0.932 5.053 4.120 0.001 0.000 0.303 171 V C -1.086 175.056 176.094 0.081 0.000 1.214 171 V CA 0.092 62.431 62.300 0.064 0.000 0.984 171 V CB 2.158 34.057 31.823 0.126 0.000 1.054 171 V HN 0.636 nan 8.190 nan 0.000 0.430 172 A N 4.151 127.000 122.820 0.048 0.000 2.597 172 A HA 0.645 4.966 4.320 0.001 0.000 0.292 172 A C -1.786 175.739 177.584 -0.098 0.000 1.057 172 A CA -0.552 51.510 52.037 0.042 0.000 0.674 172 A CB 1.005 19.998 19.000 -0.011 0.000 1.278 172 A HN 1.624 nan 8.150 nan 0.000 0.416 173 Y N 2.642 122.774 120.300 -0.279 0.000 2.650 173 Y HA 0.221 4.771 4.550 0.001 0.000 0.331 173 Y C 1.186 176.877 175.900 -0.348 0.000 1.165 173 Y CA 0.128 57.916 58.100 -0.519 0.000 1.473 173 Y CB 0.481 38.712 38.460 -0.381 0.000 1.224 173 Y HN 0.609 nan 8.280 nan 0.000 0.533 174 M N 4.177 123.267 119.600 -0.849 0.000 2.325 174 M HA 0.245 4.725 4.480 0.001 0.000 0.265 174 M C 0.994 176.749 176.300 -0.908 0.000 1.094 174 M CA 1.293 56.155 55.300 -0.730 0.000 1.161 174 M CB -0.877 31.355 32.600 -0.612 0.000 1.358 174 M HN 0.858 nan 8.290 nan 0.000 0.446 175 G N -0.991 106.949 108.800 -1.434 0.000 2.356 175 G HA2 0.407 4.368 3.960 0.001 0.000 0.288 175 G HA3 0.407 4.368 3.960 0.001 0.000 0.288 175 G C -1.520 172.942 174.900 -0.731 0.000 1.302 175 G CA -0.505 44.009 45.100 -0.976 0.000 0.887 175 G HN 0.455 nan 8.290 nan 0.000 0.521 176 A N -0.213 122.468 122.820 -0.233 0.000 2.327 176 A HA 0.614 4.934 4.320 0.001 0.000 0.255 176 A C 1.407 178.939 177.584 -0.087 0.000 1.099 176 A CA 1.224 53.261 52.037 0.001 0.000 0.801 176 A CB -0.424 18.698 19.000 0.203 0.000 1.062 176 A HN 2.623 nan 8.150 nan 0.000 0.496 177 N N -0.388 118.349 118.700 0.061 0.000 1.268 177 N HA -0.328 4.412 4.740 0.001 0.000 0.142 177 N C 1.019 176.519 175.510 -0.018 0.000 0.425 177 N CA 2.639 55.750 53.050 0.102 0.000 1.060 177 N CB -1.394 37.216 38.487 0.205 0.000 1.440 177 N HN 1.108 nan 8.380 nan 0.000 0.445 178 G N -1.366 107.459 108.800 0.041 0.000 3.088 178 G HA2 0.457 4.418 3.960 0.001 0.000 0.212 178 G HA3 0.457 4.418 3.960 0.001 0.000 0.212 178 G C 1.317 175.894 174.900 -0.538 0.000 1.173 178 G CA 0.695 45.795 45.100 0.001 0.000 0.779 178 G HN 0.895 nan 8.290 nan 0.000 0.540 179 A N 0.883 122.901 122.820 -1.336 0.000 1.933 179 A HA 0.120 4.441 4.320 0.001 0.000 0.218 179 A C 2.566 179.629 177.584 -0.868 0.000 1.175 179 A CA 2.005 52.862 52.037 -1.966 0.000 0.628 179 A CB -0.706 17.085 19.000 -2.015 0.000 0.814 179 A HN 0.426 nan 8.150 nan 0.000 0.444 180 G N -0.981 107.442 108.800 -0.627 0.000 2.453 180 G HA2 -0.251 3.710 3.960 0.001 0.000 0.215 180 G HA3 -0.251 3.710 3.960 0.001 0.000 0.215 180 G C 1.383 176.126 174.900 -0.263 0.000 1.201 180 G CA 1.202 46.038 45.100 -0.441 0.000 0.784 180 G HN 0.744 nan 8.290 nan 0.000 0.545 181 H N -1.889 117.108 119.070 -0.121 0.000 2.489 181 H HA -0.036 4.520 4.556 0.001 0.000 0.293 181 H C 2.121 177.454 175.328 0.010 0.000 1.066 181 H CA 1.011 57.055 56.048 -0.006 0.000 1.305 181 H CB -0.010 29.789 29.762 0.062 0.000 1.386 181 H HN 0.437 nan 8.280 nan 0.000 0.551 182 Y N 0.458 120.696 120.300 -0.104 0.000 2.200 182 Y HA -0.225 4.325 4.550 0.001 0.000 0.290 182 Y C 2.274 178.132 175.900 -0.069 0.000 1.137 182 Y CA 1.114 59.090 58.100 -0.206 0.000 1.163 182 Y CB -0.267 37.952 38.460 -0.401 0.000 0.988 182 Y HN -0.033 nan 8.280 nan 0.000 0.518 183 V N 0.472 120.446 119.914 0.099 0.000 2.427 183 V HA -0.264 3.856 4.120 0.001 0.000 0.248 183 V C 2.256 178.482 176.094 0.220 0.000 1.051 183 V CA 2.141 64.527 62.300 0.143 0.000 1.048 183 V CB -0.639 31.196 31.823 0.020 0.000 0.666 183 V HN 0.251 nan 8.190 nan 0.000 0.456 184 K N 0.513 120.998 120.400 0.141 0.000 2.097 184 K HA -0.129 4.192 4.320 0.001 0.000 0.205 184 K C 2.125 178.821 176.600 0.161 0.000 1.050 184 K CA 1.740 58.111 56.287 0.139 0.000 0.938 184 K CB -0.456 32.122 32.500 0.130 0.000 0.718 184 K HN 0.388 nan 8.250 nan 0.000 0.442 185 M N -0.022 119.650 119.600 0.119 0.000 2.065 185 M HA -0.198 4.283 4.480 0.001 0.000 0.259 185 M C 1.714 178.003 176.300 -0.018 0.000 1.069 185 M CA 1.970 57.324 55.300 0.090 0.000 1.110 185 M CB -0.141 32.463 32.600 0.007 0.000 1.328 185 M HN 0.069 nan 8.290 nan 0.000 0.405 186 V N 0.262 120.134 119.914 -0.069 0.000 2.332 186 V HA -0.331 3.790 4.120 0.001 0.000 0.248 186 V C 2.632 178.664 176.094 -0.103 0.000 1.055 186 V CA 2.313 64.572 62.300 -0.069 0.000 1.038 186 V CB -1.464 30.364 31.823 0.008 0.000 0.651 186 V HN 0.645 nan 8.190 nan 0.000 0.450 187 H N 0.829 119.789 119.070 -0.183 0.000 2.390 187 H HA -0.188 4.368 4.556 0.001 0.000 0.298 187 H C 2.082 177.191 175.328 -0.366 0.000 1.106 187 H CA 2.226 57.943 56.048 -0.552 0.000 1.297 187 H CB -0.067 29.346 29.762 -0.581 0.000 1.375 187 H HN 0.407 nan 8.280 nan 0.000 0.509 188 N N 0.225 118.840 118.700 -0.141 0.000 2.270 188 N HA -0.058 4.682 4.740 0.001 0.000 0.181 188 N C 2.237 177.594 175.510 -0.255 0.000 1.016 188 N CA 1.048 53.998 53.050 -0.166 0.000 0.870 188 N CB -0.829 37.634 38.487 -0.040 0.000 0.979 188 N HN 0.504 nan 8.380 nan 0.000 0.431 189 G N 1.239 109.872 108.800 -0.277 0.000 2.421 189 G HA2 -0.174 3.786 3.960 0.001 0.000 0.216 189 G HA3 -0.174 3.786 3.960 0.001 0.000 0.216 189 G C 1.597 176.364 174.900 -0.222 0.000 1.171 189 G CA 0.423 45.344 45.100 -0.298 0.000 0.775 189 G HN 0.260 nan 8.290 nan 0.000 0.543 190 I N 0.624 121.013 120.570 -0.301 0.000 2.208 190 I HA -0.183 3.988 4.170 0.001 0.000 0.245 190 I C 2.684 178.656 176.117 -0.242 0.000 1.097 190 I CA 1.541 62.626 61.300 -0.359 0.000 1.363 190 I CB -0.194 37.453 38.000 -0.587 0.000 1.051 190 I HN 0.352 nan 8.210 nan 0.000 0.413 191 E N 0.573 120.610 120.200 -0.272 0.000 2.085 191 E HA -0.278 4.072 4.350 0.001 0.000 0.194 191 E C 2.265 178.874 176.600 0.016 0.000 0.994 191 E CA 1.640 57.952 56.400 -0.147 0.000 0.801 191 E CB -0.148 29.429 29.700 -0.204 0.000 0.743 191 E HN 0.423 nan 8.360 nan 0.000 0.453 192 Y N 0.263 120.462 120.300 -0.168 0.000 2.181 192 Y HA -0.087 4.463 4.550 0.001 0.000 0.288 192 Y C 2.463 178.309 175.900 -0.090 0.000 1.146 192 Y CA 1.490 59.514 58.100 -0.125 0.000 1.164 192 Y CB -0.942 37.431 38.460 -0.145 0.000 0.982 192 Y HN 0.198 nan 8.280 nan 0.000 0.515 193 G N -0.601 108.242 108.800 0.072 0.000 2.402 193 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 193 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 193 G C 1.341 176.286 174.900 0.075 0.000 1.162 193 G CA 1.123 46.250 45.100 0.045 0.000 0.777 193 G HN 0.271 nan 8.290 nan 0.000 0.539 194 D N 0.505 120.951 120.400 0.076 0.000 2.144 194 D HA -0.076 4.564 4.640 0.001 0.000 0.199 194 D C 2.599 178.948 176.300 0.081 0.000 0.984 194 D CA 0.814 54.886 54.000 0.121 0.000 0.834 194 D CB -0.251 40.635 40.800 0.142 0.000 0.955 194 D HN 0.313 nan 8.370 nan 0.000 0.465 195 M N -0.106 119.505 119.600 0.018 0.000 2.132 195 M HA -0.183 4.297 4.480 0.001 0.000 0.263 195 M C 2.215 178.509 176.300 -0.010 0.000 1.065 195 M CA 1.160 56.441 55.300 -0.032 0.000 1.122 195 M CB -0.124 32.410 32.600 -0.111 0.000 1.365 195 M HN -0.106 nan 8.290 nan 0.000 0.411 196 Q N 1.061 120.864 119.800 0.005 0.000 2.119 196 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 196 Q C 1.711 177.753 176.000 0.069 0.000 0.972 196 Q CA 1.670 57.486 55.803 0.022 0.000 0.847 196 Q CB -0.433 28.321 28.738 0.026 0.000 0.903 196 Q HN 0.540 nan 8.270 nan 0.000 0.433 197 L N -0.453 120.857 121.223 0.144 0.000 2.046 197 L HA -0.130 4.210 4.340 0.001 0.000 0.208 197 L C 2.294 179.328 176.870 0.274 0.000 1.077 197 L CA 0.993 55.998 54.840 0.276 0.000 0.747 197 L CB -0.392 41.878 42.059 0.350 0.000 0.896 197 L HN 0.265 nan 8.230 nan 0.000 0.432 198 I N -0.275 120.428 120.570 0.222 0.000 2.315 198 I HA -0.251 3.920 4.170 0.001 0.000 0.248 198 I C 2.774 179.021 176.117 0.217 0.000 1.117 198 I CA 0.986 62.443 61.300 0.261 0.000 1.404 198 I CB -0.439 37.628 38.000 0.112 0.000 1.071 198 I HN 0.194 nan 8.210 nan 0.000 0.419 199 A N 0.595 123.479 122.820 0.107 0.000 1.902 199 A HA -0.223 4.097 4.320 0.001 0.000 0.217 199 A C 2.213 179.874 177.584 0.128 0.000 1.181 199 A CA 1.697 53.802 52.037 0.113 0.000 0.623 199 A CB -0.510 18.513 19.000 0.038 0.000 0.818 199 A HN 0.427 nan 8.150 nan 0.000 0.443 200 E N -0.233 119.959 120.200 -0.014 0.000 2.072 200 E HA -0.097 4.254 4.350 0.001 0.000 0.191 200 E C 2.352 178.848 176.600 -0.173 0.000 0.985 200 E CA 1.162 57.434 56.400 -0.215 0.000 0.801 200 E CB -0.137 29.216 29.700 -0.579 0.000 0.750 200 E HN 0.575 nan 8.360 nan 0.000 0.452 201 S N 0.593 116.297 115.700 0.007 0.000 2.365 201 S HA -0.238 4.233 4.470 0.001 0.000 0.225 201 S C 1.801 176.546 174.600 0.241 0.000 1.039 201 S CA 1.546 59.892 58.200 0.244 0.000 1.033 201 S CB -0.471 63.059 63.200 0.550 0.000 0.887 201 S HN 0.397 nan 8.310 nan 0.000 0.447 202 Y N 2.361 122.783 120.300 0.204 0.000 2.181 202 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 202 Y C 2.071 177.984 175.900 0.021 0.000 1.146 202 Y CA 1.877 60.067 58.100 0.150 0.000 1.164 202 Y CB -0.676 37.860 38.460 0.127 0.000 0.982 202 Y HN 0.165 nan 8.280 nan 0.000 0.515 203 D N -0.109 120.178 120.400 -0.188 0.000 2.144 203 D HA -0.152 4.488 4.640 0.001 0.000 0.200 203 D C 2.119 178.271 176.300 -0.246 0.000 0.978 203 D CA 1.419 55.230 54.000 -0.314 0.000 0.833 203 D CB -0.240 40.474 40.800 -0.143 0.000 0.961 203 D HN 0.478 nan 8.370 nan 0.000 0.470 204 L N -0.236 120.885 121.223 -0.170 0.000 2.027 204 L HA -0.128 4.213 4.340 0.001 0.000 0.206 204 L C 2.575 179.341 176.870 -0.173 0.000 1.074 204 L CA 0.673 55.424 54.840 -0.148 0.000 0.745 204 L CB -0.443 41.560 42.059 -0.094 0.000 0.898 204 L HN 0.106 nan 8.230 nan 0.000 0.433 205 L N -0.186 120.941 121.223 -0.160 0.000 2.083 205 L HA -0.240 4.100 4.340 0.001 0.000 0.209 205 L C 2.701 179.442 176.870 -0.214 0.000 1.083 205 L CA 1.411 56.143 54.840 -0.181 0.000 0.752 205 L CB -0.493 41.467 42.059 -0.164 0.000 0.899 205 L HN 0.272 nan 8.230 nan 0.000 0.433 206 K N 0.097 120.322 120.400 -0.292 0.000 1.991 206 K HA -0.107 4.213 4.320 0.001 0.000 0.207 206 K C 2.383 178.859 176.600 -0.207 0.000 1.045 206 K CA 1.028 57.137 56.287 -0.296 0.000 0.937 206 K CB 0.087 32.285 32.500 -0.503 0.000 0.720 206 K HN 0.136 nan 8.250 nan 0.000 0.438 207 R N 0.171 120.550 120.500 -0.202 0.000 2.062 207 R HA 0.024 4.365 4.340 0.001 0.000 0.229 207 R C 2.398 178.632 176.300 -0.108 0.000 1.128 207 R CA 1.383 57.401 56.100 -0.136 0.000 0.960 207 R CB -0.177 30.050 30.300 -0.122 0.000 0.855 207 R HN 0.277 nan 8.270 nan 0.000 0.432 208 I N 0.605 121.091 120.570 -0.140 0.000 2.296 208 I HA -0.153 4.017 4.170 0.001 0.000 0.242 208 I C 1.966 177.967 176.117 -0.194 0.000 1.087 208 I CA 0.996 62.208 61.300 -0.147 0.000 1.393 208 I CB -0.069 37.811 38.000 -0.199 0.000 1.093 208 I HN 0.091 nan 8.210 nan 0.000 0.421 209 L N 0.742 121.807 121.223 -0.263 0.000 2.558 209 L HA 0.218 4.558 4.340 0.001 0.000 0.225 209 L C 1.456 178.267 176.870 -0.098 0.000 1.128 209 L CA 0.510 55.203 54.840 -0.246 0.000 0.868 209 L CB -0.575 41.309 42.059 -0.293 0.000 1.006 209 L HN 0.526 nan 8.230 nan 0.000 0.454 210 G N 1.294 110.038 108.800 -0.094 0.000 2.203 210 G HA2 -0.291 3.669 3.960 0.001 0.000 0.263 210 G HA3 -0.291 3.669 3.960 0.001 0.000 0.263 210 G C 0.285 175.145 174.900 -0.067 0.000 1.012 210 G CA 0.066 45.129 45.100 -0.062 0.000 0.749 210 G HN 0.278 nan 8.290 nan 0.000 0.512 211 L N 1.016 122.182 121.223 -0.096 0.000 2.439 211 L HA 0.466 4.806 4.340 0.001 0.000 0.269 211 L C 1.548 178.366 176.870 -0.086 0.000 1.179 211 L CA 0.045 54.833 54.840 -0.088 0.000 0.828 211 L CB 0.957 42.949 42.059 -0.112 0.000 1.106 211 L HN 0.451 nan 8.230 nan 0.000 0.467 212 S N 0.946 116.604 115.700 -0.070 0.000 2.655 212 S HA 0.159 4.629 4.470 0.001 0.000 0.265 212 S C 0.835 175.369 174.600 -0.111 0.000 1.240 212 S CA -0.683 57.472 58.200 -0.075 0.000 0.986 212 S CB 0.862 64.037 63.200 -0.042 0.000 0.985 212 S HN 0.600 nan 8.310 nan 0.000 0.562 213 N N 0.906 119.484 118.700 -0.204 0.000 2.188 213 N HA -0.016 4.725 4.740 0.001 0.000 0.184 213 N C 1.927 177.319 175.510 -0.198 0.000 1.018 213 N CA 1.497 54.372 53.050 -0.292 0.000 0.858 213 N CB -1.195 36.825 38.487 -0.779 0.000 0.989 213 N HN 0.781 nan 8.380 nan 0.000 0.426 214 A N 1.287 124.024 122.820 -0.138 0.000 1.930 214 A HA -0.120 4.201 4.320 0.001 0.000 0.217 214 A C 2.085 179.642 177.584 -0.045 0.000 1.175 214 A CA 1.241 53.254 52.037 -0.040 0.000 0.627 214 A CB -0.426 18.589 19.000 0.026 0.000 0.815 214 A HN 0.313 nan 8.150 nan 0.000 0.443 215 E N -0.306 119.859 120.200 -0.059 0.000 2.051 215 E HA -0.166 4.184 4.350 0.001 0.000 0.192 215 E C 1.862 178.397 176.600 -0.108 0.000 0.991 215 E CA 1.377 57.732 56.400 -0.075 0.000 0.799 215 E CB -0.292 29.364 29.700 -0.074 0.000 0.748 215 E HN 0.705 nan 8.360 nan 0.000 0.449 216 I N 1.045 121.562 120.570 -0.087 0.000 2.315 216 I HA -0.266 3.904 4.170 0.001 0.000 0.248 216 I C 2.796 178.925 176.117 0.019 0.000 1.117 216 I CA 0.878 62.137 61.300 -0.069 0.000 1.404 216 I CB -0.251 37.791 38.000 0.070 0.000 1.071 216 I HN 0.157 nan 8.210 nan 0.000 0.419 217 Q N 1.346 121.158 119.800 0.020 0.000 2.077 217 Q HA -0.288 4.052 4.340 0.001 0.000 0.206 217 Q C 2.345 178.343 176.000 -0.003 0.000 0.989 217 Q CA 2.376 58.197 55.803 0.031 0.000 0.853 217 Q CB -0.124 28.610 28.738 -0.007 0.000 0.907 217 Q HN 0.564 nan 8.270 nan 0.000 0.418 218 A N 0.647 123.433 122.820 -0.056 0.000 1.902 218 A HA -0.171 4.150 4.320 0.001 0.000 0.217 218 A C 2.013 179.497 177.584 -0.167 0.000 1.181 218 A CA 1.412 53.401 52.037 -0.079 0.000 0.623 218 A CB -0.665 18.292 19.000 -0.072 0.000 0.818 218 A HN 0.478 nan 8.150 nan 0.000 0.443 219 I N -1.864 118.516 120.570 -0.315 0.000 2.226 219 I HA -0.253 3.917 4.170 0.001 0.000 0.245 219 I C 2.245 177.837 176.117 -0.875 0.000 1.100 219 I CA 1.378 62.276 61.300 -0.668 0.000 1.374 219 I CB -0.356 37.093 38.000 -0.919 0.000 1.057 219 I HN 0.302 nan 8.210 nan 0.000 0.413 220 F N 1.117 120.747 119.950 -0.534 0.000 2.134 220 F HA -0.183 4.344 4.527 0.001 0.000 0.299 220 F C 2.497 178.245 175.800 -0.088 0.000 1.097 220 F CA 1.434 59.260 58.000 -0.289 0.000 1.264 220 F CB -0.554 38.347 39.000 -0.165 0.000 1.001 220 F HN 0.049 nan 8.300 nan 0.000 0.479 221 E N -0.111 120.134 120.200 0.074 0.000 2.058 221 E HA -0.288 4.062 4.350 0.001 0.000 0.194 221 E C 2.160 178.801 176.600 0.069 0.000 0.997 221 E CA 1.645 58.084 56.400 0.065 0.000 0.801 221 E CB -0.260 29.457 29.700 0.029 0.000 0.746 221 E HN 0.479 nan 8.360 nan 0.000 0.450 222 E N -0.210 120.000 120.200 0.017 0.000 2.072 222 E HA -0.188 4.163 4.350 0.001 0.000 0.191 222 E C 1.700 178.421 176.600 0.201 0.000 0.985 222 E CA 0.983 57.424 56.400 0.069 0.000 0.801 222 E CB -0.019 29.695 29.700 0.024 0.000 0.750 222 E HN 0.294 nan 8.360 nan 0.000 0.452 223 W N 1.127 122.416 121.300 -0.018 0.000 2.342 223 W HA -0.101 4.560 4.660 0.001 0.000 0.297 223 W C 2.015 178.541 176.519 0.012 0.000 1.213 223 W CA 0.840 58.170 57.345 -0.025 0.000 1.251 223 W CB -1.096 28.337 29.460 -0.046 0.000 1.136 223 W HN 0.185 nan 8.180 nan 0.000 0.526 224 N N 0.129 118.996 118.700 0.279 0.000 2.512 224 N HA -0.102 4.638 4.740 0.001 0.000 0.183 224 N C 1.213 176.800 175.510 0.128 0.000 1.073 224 N CA 0.857 54.022 53.050 0.193 0.000 0.911 224 N CB -0.147 38.448 38.487 0.180 0.000 0.964 224 N HN 0.261 nan 8.380 nan 0.000 0.447 225 E N -1.194 119.074 120.200 0.114 0.000 2.435 225 E HA 0.111 4.461 4.350 0.001 0.000 0.195 225 E C 0.985 177.619 176.600 0.056 0.000 1.029 225 E CA 0.176 56.624 56.400 0.079 0.000 0.865 225 E CB 0.331 30.074 29.700 0.070 0.000 0.833 225 E HN 0.255 nan 8.360 nan 0.000 0.510 226 G N 1.100 109.928 108.800 0.046 0.000 2.857 226 G HA2 0.002 3.962 3.960 0.001 0.000 0.217 226 G HA3 0.002 3.962 3.960 0.001 0.000 0.217 226 G C 0.604 175.475 174.900 -0.049 0.000 1.357 226 G CA -0.218 44.877 45.100 -0.008 0.000 1.033 226 G HN 0.156 nan 8.290 nan 0.000 0.571 227 E N -0.500 119.609 120.200 -0.151 0.000 2.209 227 E HA -0.107 4.243 4.350 0.001 0.000 0.196 227 E C 2.080 178.515 176.600 -0.274 0.000 0.993 227 E CA 0.728 56.982 56.400 -0.242 0.000 0.819 227 E CB -0.235 29.180 29.700 -0.474 0.000 0.745 227 E HN 0.326 nan 8.360 nan 0.000 0.477 228 L N 1.591 122.655 121.223 -0.265 0.000 2.465 228 L HA -0.043 4.297 4.340 0.001 0.000 0.224 228 L C 0.887 177.790 176.870 0.056 0.000 1.145 228 L CA 0.046 54.828 54.840 -0.097 0.000 0.834 228 L CB -0.503 41.531 42.059 -0.042 0.000 0.944 228 L HN 0.113 nan 8.230 nan 0.000 0.451 229 D N 1.665 122.110 120.400 0.075 0.000 3.434 229 D HA -0.107 4.533 4.640 0.001 0.000 0.215 229 D C -0.089 176.312 176.300 0.168 0.000 1.157 229 D CA 0.713 54.789 54.000 0.127 0.000 0.785 229 D CB 0.300 41.169 40.800 0.114 0.000 1.164 229 D HN 0.278 nan 8.370 nan 0.000 0.580 230 S N 3.097 118.905 115.700 0.181 0.000 2.537 230 S HA 0.154 4.624 4.470 0.001 0.000 0.271 230 S C 0.330 175.061 174.600 0.218 0.000 1.148 230 S CA -0.933 57.394 58.200 0.212 0.000 0.868 230 S CB 0.831 64.147 63.200 0.192 0.000 1.115 230 S HN 0.340 nan 8.310 nan 0.000 0.461 231 Y N 2.270 122.634 120.300 0.107 0.000 2.242 231 Y HA 0.126 4.677 4.550 0.001 0.000 0.291 231 Y C 1.709 177.636 175.900 0.047 0.000 1.137 231 Y CA 1.456 59.601 58.100 0.074 0.000 1.181 231 Y CB -0.336 38.169 38.460 0.074 0.000 0.989 231 Y HN 0.762 nan 8.280 nan 0.000 0.527 232 L N -0.628 120.583 121.223 -0.020 0.000 2.131 232 L HA -0.244 4.096 4.340 0.001 0.000 0.210 232 L C 2.260 179.030 176.870 -0.167 0.000 1.092 232 L CA 1.278 56.037 54.840 -0.134 0.000 0.759 232 L CB -0.372 41.675 42.059 -0.020 0.000 0.903 232 L HN 0.265 nan 8.230 nan 0.000 0.435 233 I N -0.824 119.715 120.570 -0.052 0.000 2.353 233 I HA -0.254 3.916 4.170 0.001 0.000 0.248 233 I C 2.510 178.568 176.117 -0.098 0.000 1.119 233 I CA 0.932 62.212 61.300 -0.034 0.000 1.417 233 I CB -0.199 37.920 38.000 0.199 0.000 1.078 233 I HN 0.299 nan 8.210 nan 0.000 0.421 234 E N 1.601 121.751 120.200 -0.082 0.000 2.058 234 E HA -0.239 4.112 4.350 0.001 0.000 0.194 234 E C 2.352 178.816 176.600 -0.226 0.000 0.997 234 E CA 1.456 57.796 56.400 -0.100 0.000 0.801 234 E CB -0.006 29.680 29.700 -0.024 0.000 0.746 234 E HN 0.440 nan 8.360 nan 0.000 0.450 235 I N 0.619 120.943 120.570 -0.411 0.000 2.208 235 I HA -0.279 3.892 4.170 0.001 0.000 0.245 235 I C 2.470 178.408 176.117 -0.299 0.000 1.097 235 I CA 1.401 62.465 61.300 -0.394 0.000 1.363 235 I CB -0.377 37.335 38.000 -0.480 0.000 1.051 235 I HN 0.183 nan 8.210 nan 0.000 0.413 236 T N 1.080 115.427 114.554 -0.346 0.000 2.708 236 T HA -0.187 4.164 4.350 0.001 0.000 0.266 236 T C 1.750 176.221 174.700 -0.382 0.000 1.037 236 T CA 1.923 63.756 62.100 -0.445 0.000 1.146 236 T CB -0.183 68.254 68.868 -0.720 0.000 0.865 236 T HN 0.377 nan 8.240 nan 0.000 0.435 237 K N 1.526 121.757 120.400 -0.283 0.000 2.283 237 K HA 0.031 4.352 4.320 0.001 0.000 0.202 237 K C 1.936 178.477 176.600 -0.099 0.000 1.048 237 K CA 1.058 57.263 56.287 -0.138 0.000 0.948 237 K CB -0.140 32.347 32.500 -0.022 0.000 0.742 237 K HN 0.137 nan 8.250 nan 0.000 0.458 238 E N 0.963 121.096 120.200 -0.112 0.000 2.072 238 E HA -0.077 4.273 4.350 0.001 0.000 0.190 238 E C 2.154 178.709 176.600 -0.075 0.000 0.982 238 E CA 1.075 57.430 56.400 -0.075 0.000 0.803 238 E CB -0.383 29.272 29.700 -0.075 0.000 0.755 238 E HN 0.175 nan 8.360 nan 0.000 0.453 239 V N 1.689 121.529 119.914 -0.123 0.000 2.332 239 V HA -0.244 3.876 4.120 0.001 0.000 0.248 239 V C 2.457 178.501 176.094 -0.082 0.000 1.055 239 V CA 1.417 63.647 62.300 -0.116 0.000 1.038 239 V CB -0.459 31.255 31.823 -0.182 0.000 0.651 239 V HN 0.219 nan 8.190 nan 0.000 0.450 240 L N -0.778 120.377 121.223 -0.114 0.000 2.362 240 L HA -0.147 4.194 4.340 0.001 0.000 0.219 240 L C 2.388 179.270 176.870 0.019 0.000 1.134 240 L CA 1.247 56.026 54.840 -0.101 0.000 0.807 240 L CB -0.533 41.447 42.059 -0.132 0.000 0.927 240 L HN 0.312 nan 8.230 nan 0.000 0.447 241 K N -0.410 120.023 120.400 0.055 0.000 2.155 241 K HA -0.002 4.319 4.320 0.001 0.000 0.203 241 K C 0.490 177.195 176.600 0.175 0.000 1.052 241 K CA 0.390 56.752 56.287 0.124 0.000 0.948 241 K CB 0.138 32.670 32.500 0.054 0.000 0.728 241 K HN 0.096 nan 8.250 nan 0.000 0.448 242 R N 2.718 123.294 120.500 0.128 0.000 2.438 242 R HA 0.066 4.406 4.340 0.001 0.000 0.287 242 R C -0.027 176.306 176.300 0.056 0.000 1.077 242 R CA -0.060 56.080 56.100 0.066 0.000 1.034 242 R CB 0.498 30.814 30.300 0.027 0.000 0.993 242 R HN 0.260 nan 8.270 nan 0.000 0.459 243 K N 0.497 120.868 120.400 -0.049 0.000 2.168 243 K HA 0.105 4.425 4.320 0.001 0.000 0.258 243 K C -0.130 176.433 176.600 -0.061 0.000 1.010 243 K CA -0.652 55.556 56.287 -0.132 0.000 0.929 243 K CB 0.600 33.010 32.500 -0.149 0.000 0.998 243 K HN 0.250 nan 8.250 nan 0.000 0.479 244 D N 1.509 121.869 120.400 -0.066 0.000 2.450 244 D HA -0.075 4.566 4.640 0.001 0.000 0.247 244 D C 0.378 176.657 176.300 -0.035 0.000 1.162 244 D CA -0.239 53.742 54.000 -0.031 0.000 0.879 244 D CB 0.731 41.516 40.800 -0.025 0.000 1.163 244 D HN 0.694 nan 8.370 nan 0.000 0.472 245 D N 2.542 122.928 120.400 -0.023 0.000 2.347 245 D HA -0.130 4.511 4.640 0.001 0.000 0.215 245 D C 0.058 176.347 176.300 -0.019 0.000 0.976 245 D CA 0.723 54.709 54.000 -0.022 0.000 0.884 245 D CB -0.015 40.775 40.800 -0.017 0.000 0.915 245 D HN 0.606 nan 8.370 nan 0.000 0.526 246 E N -0.107 120.083 120.200 -0.017 0.000 2.995 246 E HA 0.502 4.853 4.350 0.001 0.000 0.203 246 E C 0.329 176.920 176.600 -0.015 0.000 0.980 246 E CA -0.401 55.990 56.400 -0.015 0.000 1.172 246 E CB 1.204 30.897 29.700 -0.011 0.000 1.088 246 E HN 0.300 nan 8.360 nan 0.000 0.463 247 G N 0.748 109.535 108.800 -0.021 0.000 2.325 247 G HA2 0.160 4.120 3.960 0.001 0.000 0.295 247 G HA3 0.160 4.120 3.960 0.001 0.000 0.295 247 G C -1.529 173.350 174.900 -0.034 0.000 1.274 247 G CA -0.869 44.218 45.100 -0.022 0.000 0.857 247 G HN -0.014 nan 8.290 nan 0.000 0.499 248 E N -0.462 119.719 120.200 -0.032 0.000 2.283 248 E HA 0.631 4.982 4.350 0.001 0.000 0.267 248 E C 0.831 177.398 176.600 -0.054 0.000 1.045 248 E CA 1.038 57.409 56.400 -0.048 0.000 0.884 248 E CB 1.166 30.846 29.700 -0.033 0.000 1.106 248 E HN 1.880 nan 8.360 nan 0.000 0.408 249 G N 0.114 108.847 108.800 -0.111 0.000 2.542 249 G HA2 -0.246 3.714 3.960 0.001 0.000 0.235 249 G HA3 -0.246 3.714 3.960 0.001 0.000 0.235 249 G C -1.168 173.593 174.900 -0.231 0.000 1.286 249 G CA -0.480 44.538 45.100 -0.137 0.000 0.904 249 G HN 0.355 nan 8.290 nan 0.000 0.577 250 Y N -0.624 119.675 120.300 -0.003 0.000 2.361 250 Y HA 0.574 5.124 4.550 0.001 0.000 0.332 250 Y C 1.518 177.410 175.900 -0.013 0.000 1.101 250 Y CA -0.132 57.963 58.100 -0.008 0.000 1.137 250 Y CB 1.559 40.017 38.460 -0.003 0.000 1.207 250 Y HN 0.562 nan 8.280 nan 0.000 0.463 251 I N 2.059 122.700 120.570 0.119 0.000 2.361 251 I HA -0.177 3.993 4.170 0.001 0.000 0.251 251 I C 1.886 178.030 176.117 0.045 0.000 1.133 251 I CA 1.344 62.676 61.300 0.053 0.000 1.413 251 I CB -0.330 37.681 38.000 0.019 0.000 1.073 251 I HN 0.604 nan 8.210 nan 0.000 0.424 252 V N 0.561 120.507 119.914 0.053 0.000 2.626 252 V HA -0.221 3.899 4.120 0.001 0.000 0.252 252 V C 1.613 177.721 176.094 0.023 0.000 1.067 252 V CA 2.203 64.499 62.300 -0.007 0.000 1.081 252 V CB -0.699 31.076 31.823 -0.080 0.000 0.686 252 V HN 0.430 nan 8.190 nan 0.000 0.468 253 D N -0.767 119.676 120.400 0.072 0.000 2.349 253 D HA -0.011 4.629 4.640 0.001 0.000 0.215 253 D C 1.811 178.143 176.300 0.053 0.000 1.016 253 D CA 0.409 54.454 54.000 0.075 0.000 0.870 253 D CB 0.291 41.154 40.800 0.106 0.000 0.917 253 D HN 0.327 nan 8.370 nan 0.000 0.524 254 K N -0.081 120.344 120.400 0.042 0.000 2.354 254 K HA 0.267 4.588 4.320 0.001 0.000 0.194 254 K C 0.634 177.241 176.600 0.012 0.000 1.045 254 K CA -0.066 56.236 56.287 0.025 0.000 1.026 254 K CB 0.752 33.265 32.500 0.021 0.000 0.866 254 K HN 0.059 nan 8.250 nan 0.000 0.530 255 I N 2.189 122.763 120.570 0.006 0.000 2.533 255 I HA -0.024 4.147 4.170 0.001 0.000 0.284 255 I C -0.083 176.033 176.117 -0.002 0.000 1.109 255 I CA -0.702 60.594 61.300 -0.006 0.000 1.412 255 I CB 0.484 38.471 38.000 -0.023 0.000 1.396 255 I HN -0.030 nan 8.210 nan 0.000 0.543 256 L N 7.794 129.015 121.223 -0.004 0.000 2.416 256 L HA 0.070 4.411 4.340 0.001 0.000 0.272 256 L C 0.492 177.362 176.870 0.000 0.000 1.161 256 L CA -0.045 54.795 54.840 0.001 0.000 0.845 256 L CB 0.378 42.436 42.059 -0.002 0.000 1.119 256 L HN 0.566 nan 8.230 nan 0.000 0.464 257 D N 4.404 124.809 120.400 0.010 0.000 2.845 257 D HA 0.047 4.688 4.640 0.001 0.000 0.235 257 D C -0.594 175.717 176.300 0.019 0.000 1.158 257 D CA -0.003 54.006 54.000 0.014 0.000 0.990 257 D CB -0.378 40.438 40.800 0.027 0.000 1.094 257 D HN 0.421 nan 8.370 nan 0.000 0.486 258 K N 0.727 121.133 120.400 0.009 0.000 2.572 258 K HA 0.528 4.848 4.320 0.001 0.000 0.244 258 K C -0.649 175.953 176.600 0.004 0.000 0.965 258 K CA -0.687 55.608 56.287 0.014 0.000 0.943 258 K CB 2.045 34.547 32.500 0.003 0.000 1.154 258 K HN 0.261 nan 8.250 nan 0.000 0.447 259 A N 2.072 124.901 122.820 0.015 0.000 2.371 259 A HA 0.610 4.930 4.320 0.001 0.000 0.257 259 A C 0.551 178.137 177.584 0.003 0.000 1.089 259 A CA -0.127 51.904 52.037 -0.009 0.000 0.794 259 A CB 0.542 19.529 19.000 -0.022 0.000 1.029 259 A HN 0.747 nan 8.150 nan 0.000 0.488 264 T N -1.623 112.655 114.554 -0.461 0.000 3.091 264 T HA 0.385 4.736 4.350 0.001 0.000 0.277 264 T C 2.006 176.125 174.700 -0.967 0.000 0.996 264 T CA 1.451 62.892 62.100 -1.098 0.000 0.897 264 T CB 0.882 68.808 68.868 -1.570 0.000 1.109 264 T HN 1.144 nan 8.240 nan 0.000 0.534 265 G N 3.172 111.646 108.800 -0.544 0.000 2.448 265 G HA2 -0.189 3.771 3.960 0.001 0.000 0.219 265 G HA3 -0.189 3.771 3.960 0.001 0.000 0.219 265 G C 1.500 176.032 174.900 -0.614 0.000 1.127 265 G CA 0.875 45.487 45.100 -0.813 0.000 0.766 265 G HN 0.739 nan 8.290 nan 0.000 0.552 266 K N -0.784 119.415 120.400 -0.335 0.000 2.360 266 K HA -0.105 4.216 4.320 0.001 0.000 0.201 266 K C 1.946 178.538 176.600 -0.014 0.000 1.046 266 K CA 0.876 57.068 56.287 -0.158 0.000 0.945 266 K CB -0.233 32.277 32.500 0.017 0.000 0.750 266 K HN 0.315 nan 8.250 nan 0.000 0.464 267 W N 2.618 123.818 121.300 -0.165 0.000 2.335 267 W HA -0.080 4.581 4.660 0.001 0.000 0.311 267 W C 2.222 178.715 176.519 -0.044 0.000 1.213 267 W CA 1.343 58.640 57.345 -0.080 0.000 1.274 267 W CB -1.350 28.078 29.460 -0.055 0.000 1.148 267 W HN 0.147 nan 8.180 nan 0.000 0.498 268 T N 0.254 114.864 114.554 0.094 0.000 2.652 268 T HA -0.194 4.157 4.350 0.001 0.000 0.267 268 T C 2.009 176.711 174.700 0.002 0.000 1.039 268 T CA 2.354 64.445 62.100 -0.015 0.000 1.153 268 T CB -0.746 68.052 68.868 -0.117 0.000 0.863 268 T HN -0.003 nan 8.240 nan 0.000 0.428 269 S N 1.330 116.999 115.700 -0.051 0.000 2.370 269 S HA -0.163 4.307 4.470 0.001 0.000 0.226 269 S C 2.071 176.691 174.600 0.034 0.000 1.033 269 S CA 1.264 59.433 58.200 -0.052 0.000 1.011 269 S CB -0.383 62.718 63.200 -0.166 0.000 0.852 269 S HN 0.584 nan 8.310 nan 0.000 0.457 270 E N 0.730 120.982 120.200 0.085 0.000 2.085 270 E HA -0.139 4.212 4.350 0.001 0.000 0.194 270 E C 2.298 179.004 176.600 0.177 0.000 0.994 270 E CA 1.264 57.750 56.400 0.143 0.000 0.801 270 E CB -0.194 29.622 29.700 0.194 0.000 0.743 270 E HN 0.389 nan 8.360 nan 0.000 0.453 271 S N -0.130 115.700 115.700 0.216 0.000 2.368 271 S HA -0.129 4.341 4.470 0.001 0.000 0.224 271 S C 2.046 176.775 174.600 0.215 0.000 1.029 271 S CA 0.997 59.367 58.200 0.283 0.000 0.988 271 S CB -0.159 63.252 63.200 0.352 0.000 0.838 271 S HN 0.350 nan 8.310 nan 0.000 0.462 272 A N 1.603 124.512 122.820 0.148 0.000 1.892 272 A HA -0.075 4.246 4.320 0.001 0.000 0.218 272 A C 2.174 179.818 177.584 0.100 0.000 1.188 272 A CA 1.740 53.842 52.037 0.109 0.000 0.631 272 A CB -0.971 18.064 19.000 0.060 0.000 0.822 272 A HN 0.574 nan 8.150 nan 0.000 0.447 273 L N -0.793 120.488 121.223 0.098 0.000 2.046 273 L HA -0.210 4.130 4.340 0.001 0.000 0.208 273 L C 2.411 179.339 176.870 0.096 0.000 1.077 273 L CA 1.824 56.720 54.840 0.093 0.000 0.747 273 L CB -0.568 41.549 42.059 0.096 0.000 0.896 273 L HN 0.513 nan 8.230 nan 0.000 0.432 274 D N 0.116 120.587 120.400 0.118 0.000 2.144 274 D HA -0.165 4.475 4.640 0.001 0.000 0.200 274 D C 2.046 178.399 176.300 0.089 0.000 0.978 274 D CA 1.128 55.198 54.000 0.116 0.000 0.833 274 D CB 0.075 40.975 40.800 0.166 0.000 0.961 274 D HN 0.232 nan 8.370 nan 0.000 0.470 275 L N -1.160 120.119 121.223 0.093 0.000 2.567 275 L HA 0.302 4.642 4.340 0.001 0.000 0.225 275 L C 1.504 178.391 176.870 0.029 0.000 1.119 275 L CA 0.373 55.238 54.840 0.042 0.000 0.871 275 L CB 0.135 42.225 42.059 0.052 0.000 1.036 275 L HN 0.300 nan 8.230 nan 0.000 0.459 276 G N 0.567 109.396 108.800 0.049 0.000 2.147 276 G HA2 -0.232 3.728 3.960 0.001 0.000 0.244 276 G HA3 -0.232 3.728 3.960 0.001 0.000 0.244 276 G C 0.050 174.985 174.900 0.058 0.000 1.005 276 G CA 0.046 45.175 45.100 0.047 0.000 0.713 276 G HN 0.109 nan 8.290 nan 0.000 0.515 277 V N 2.136 122.091 119.914 0.068 0.000 2.439 277 V HA 0.520 4.640 4.120 0.001 0.000 0.282 277 V C -1.402 174.743 176.094 0.085 0.000 1.039 277 V CA -1.512 60.834 62.300 0.077 0.000 0.913 277 V CB 1.666 33.533 31.823 0.075 0.000 0.983 277 V HN 0.241 nan 8.190 nan 0.000 0.460 278 P HA 0.253 nan 4.420 nan 0.000 0.281 278 P C -0.638 176.702 177.300 0.068 0.000 1.286 278 P CA -0.137 63.038 63.100 0.124 0.000 0.772 278 P CB 1.084 32.912 31.700 0.214 0.000 0.862 279 L N 7.280 128.518 121.223 0.025 0.000 2.783 279 L HA 0.340 4.681 4.340 0.001 0.000 0.265 279 L C -1.701 175.139 176.870 -0.049 0.000 1.398 279 L CA -1.710 53.104 54.840 -0.044 0.000 0.802 279 L CB 1.134 43.170 42.059 -0.037 0.000 1.126 279 L HN 0.125 nan 8.230 nan 0.000 0.529 280 P HA -0.196 nan 4.420 nan 0.000 0.216 280 P C 1.640 178.933 177.300 -0.012 0.000 1.153 280 P CA 1.210 64.319 63.100 0.014 0.000 0.848 280 P CB 0.601 32.345 31.700 0.073 0.000 0.787 281 L N -0.722 120.469 121.223 -0.053 0.000 2.005 281 L HA -0.114 4.226 4.340 0.001 0.000 0.207 281 L C 2.739 179.589 176.870 -0.034 0.000 1.072 281 L CA 1.478 56.306 54.840 -0.021 0.000 0.744 281 L CB -0.672 41.366 42.059 -0.035 0.000 0.895 281 L HN -0.221 nan 8.230 nan 0.000 0.433 282 I N -0.760 119.764 120.570 -0.077 0.000 2.226 282 I HA -0.316 3.855 4.170 0.001 0.000 0.245 282 I C 2.284 178.313 176.117 -0.146 0.000 1.100 282 I CA 1.754 62.996 61.300 -0.097 0.000 1.374 282 I CB -0.422 37.498 38.000 -0.133 0.000 1.057 282 I HN 0.328 nan 8.210 nan 0.000 0.413 283 T N -0.119 114.329 114.554 -0.175 0.000 2.821 283 T HA -0.135 4.216 4.350 0.001 0.000 0.267 283 T C 1.784 176.284 174.700 -0.334 0.000 1.046 283 T CA 0.988 62.894 62.100 -0.324 0.000 1.139 283 T CB -0.175 68.541 68.868 -0.253 0.000 0.871 283 T HN 0.304 nan 8.240 nan 0.000 0.454 284 E N 1.555 121.710 120.200 -0.075 0.000 2.110 284 E HA -0.118 4.232 4.350 0.001 0.000 0.193 284 E C 2.689 179.301 176.600 0.020 0.000 0.988 284 E CA 1.459 57.896 56.400 0.061 0.000 0.804 284 E CB -0.351 29.406 29.700 0.096 0.000 0.745 284 E HN 0.661 nan 8.360 nan 0.000 0.458 285 S N 0.433 116.119 115.700 -0.023 0.000 2.368 285 S HA -0.096 4.374 4.470 0.001 0.000 0.224 285 S C 2.295 176.879 174.600 -0.027 0.000 1.029 285 S CA 1.144 59.345 58.200 0.002 0.000 0.988 285 S CB -0.597 62.624 63.200 0.035 0.000 0.838 285 S HN 0.041 nan 8.310 nan 0.000 0.462 286 V N 1.048 120.878 119.914 -0.140 0.000 2.287 286 V HA -0.114 4.006 4.120 0.001 0.000 0.248 286 V C 2.346 178.158 176.094 -0.470 0.000 1.053 286 V CA 1.881 63.997 62.300 -0.306 0.000 1.027 286 V CB -1.093 30.379 31.823 -0.584 0.000 0.646 286 V HN 0.442 nan 8.190 nan 0.000 0.447 287 F N 0.730 120.479 119.950 -0.334 0.000 2.293 287 F HA 0.003 4.530 4.527 0.001 0.000 0.300 287 F C 2.348 178.110 175.800 -0.062 0.000 1.086 287 F CA 0.549 58.405 58.000 -0.240 0.000 1.375 287 F CB -1.313 37.622 39.000 -0.109 0.000 1.045 287 F HN 0.100 nan 8.300 nan 0.000 0.516 288 A N 0.330 123.224 122.820 0.123 0.000 1.902 288 A HA -0.184 4.137 4.320 0.001 0.000 0.217 288 A C 2.447 180.093 177.584 0.104 0.000 1.181 288 A CA 1.417 53.509 52.037 0.093 0.000 0.623 288 A CB -0.549 18.480 19.000 0.048 0.000 0.818 288 A HN 0.273 nan 8.150 nan 0.000 0.443 289 R N -1.724 118.828 120.500 0.087 0.000 2.073 289 R HA -0.126 4.215 4.340 0.001 0.000 0.234 289 R C 2.064 178.547 176.300 0.305 0.000 1.134 289 R CA 1.581 57.762 56.100 0.135 0.000 0.952 289 R CB -0.593 29.765 30.300 0.097 0.000 0.850 289 R HN 0.594 nan 8.270 nan 0.000 0.433 290 Y N 0.954 121.357 120.300 0.172 0.000 2.114 290 Y HA -0.222 4.328 4.550 0.001 0.000 0.282 290 Y C 2.260 178.318 175.900 0.263 0.000 1.165 290 Y CA 0.538 58.775 58.100 0.229 0.000 1.148 290 Y CB -0.741 37.900 38.460 0.301 0.000 0.972 290 Y HN 0.085 nan 8.280 nan 0.000 0.504 291 I N -0.111 120.665 120.570 0.344 0.000 2.493 291 I HA -0.254 3.916 4.170 0.001 0.000 0.254 291 I C 2.326 178.574 176.117 0.218 0.000 1.160 291 I CA 1.407 62.834 61.300 0.212 0.000 1.445 291 I CB -0.228 37.811 38.000 0.066 0.000 1.086 291 I HN 0.295 nan 8.210 nan 0.000 0.433 292 S N -0.329 115.479 115.700 0.181 0.000 2.402 292 S HA -0.197 4.274 4.470 0.001 0.000 0.229 292 S C 2.033 176.712 174.600 0.132 0.000 1.021 292 S CA 1.469 59.746 58.200 0.127 0.000 0.974 292 S CB -1.104 62.146 63.200 0.084 0.000 0.800 292 S HN 0.621 nan 8.310 nan 0.000 0.484 293 T N -2.177 112.477 114.554 0.166 0.000 3.007 293 T HA -0.004 4.346 4.350 0.001 0.000 0.270 293 T C 0.867 175.587 174.700 0.033 0.000 1.107 293 T CA 0.443 62.590 62.100 0.078 0.000 1.118 293 T CB -0.847 68.040 68.868 0.031 0.000 0.889 293 T HN 0.470 nan 8.240 nan 0.000 0.506 294 Y N 1.503 121.819 120.300 0.027 0.000 2.581 294 Y HA 0.409 4.959 4.550 0.001 0.000 0.346 294 Y C 1.876 177.783 175.900 0.012 0.000 1.147 294 Y CA -0.880 57.229 58.100 0.015 0.000 1.353 294 Y CB -0.281 38.190 38.460 0.019 0.000 1.187 294 Y HN 0.136 nan 8.280 nan 0.000 0.505 295 K N 0.868 121.327 120.400 0.098 0.000 2.077 295 K HA -0.243 4.077 4.320 0.001 0.000 0.213 295 K C 1.341 177.972 176.600 0.051 0.000 1.051 295 K CA 2.390 58.714 56.287 0.062 0.000 0.929 295 K CB -0.171 32.346 32.500 0.030 0.000 0.715 295 K HN 0.254 nan 8.250 nan 0.000 0.451 296 D N 0.268 120.688 120.400 0.032 0.000 2.123 296 D HA -0.147 4.493 4.640 0.001 0.000 0.196 296 D C 1.817 178.144 176.300 0.044 0.000 0.992 296 D CA 1.293 55.307 54.000 0.024 0.000 0.833 296 D CB -0.147 40.654 40.800 0.001 0.000 0.954 296 D HN 0.466 nan 8.370 nan 0.000 0.455 297 E N 0.249 120.498 120.200 0.081 0.000 2.106 297 E HA -0.099 4.251 4.350 0.001 0.000 0.192 297 E C 2.221 178.861 176.600 0.068 0.000 0.984 297 E CA 0.548 57.003 56.400 0.093 0.000 0.806 297 E CB 0.081 29.883 29.700 0.169 0.000 0.750 297 E HN 0.230 nan 8.360 nan 0.000 0.458 298 R N 0.290 120.835 120.500 0.074 0.000 2.115 298 R HA -0.081 4.259 4.340 0.001 0.000 0.230 298 R C 2.412 178.732 176.300 0.033 0.000 1.111 298 R CA 0.831 56.960 56.100 0.049 0.000 0.976 298 R CB -0.230 30.102 30.300 0.054 0.000 0.870 298 R HN 0.054 nan 8.270 nan 0.000 0.445 299 V N 1.669 121.602 119.914 0.032 0.000 2.295 299 V HA -0.273 3.848 4.120 0.001 0.000 0.246 299 V C 2.142 178.247 176.094 0.018 0.000 1.049 299 V CA 1.777 64.090 62.300 0.022 0.000 1.024 299 V CB -0.401 31.433 31.823 0.019 0.000 0.648 299 V HN 0.304 nan 8.190 nan 0.000 0.447 300 K N 0.312 120.725 120.400 0.021 0.000 2.032 300 K HA -0.174 4.146 4.320 0.001 0.000 0.209 300 K C 2.294 178.903 176.600 0.015 0.000 1.048 300 K CA 1.629 57.927 56.287 0.017 0.000 0.927 300 K CB -0.455 32.057 32.500 0.020 0.000 0.712 300 K HN 0.483 nan 8.250 nan 0.000 0.441 301 A N 1.523 124.353 122.820 0.017 0.000 1.930 301 A HA -0.164 4.156 4.320 0.001 0.000 0.217 301 A C 2.204 179.793 177.584 0.008 0.000 1.175 301 A CA 1.947 53.991 52.037 0.012 0.000 0.627 301 A CB -0.707 18.299 19.000 0.011 0.000 0.815 301 A HN 0.408 nan 8.150 nan 0.000 0.443 302 S N 0.107 115.813 115.700 0.010 0.000 2.420 302 S HA -0.200 4.271 4.470 0.001 0.000 0.237 302 S C 1.624 176.228 174.600 0.005 0.000 1.023 302 S CA 1.691 59.895 58.200 0.007 0.000 0.991 302 S CB -0.364 62.841 63.200 0.008 0.000 0.792 302 S HN 0.644 nan 8.310 nan 0.000 0.488 303 K N 0.496 120.900 120.400 0.006 0.000 2.361 303 K HA 0.176 4.496 4.320 0.001 0.000 0.196 303 K C 1.872 178.474 176.600 0.004 0.000 1.039 303 K CA 0.930 57.220 56.287 0.005 0.000 1.001 303 K CB 0.329 32.832 32.500 0.006 0.000 0.795 303 K HN 0.533 nan 8.250 nan 0.000 0.495 304 V N -2.475 117.442 119.914 0.004 0.000 3.473 304 V HA 0.244 4.364 4.120 0.001 0.000 0.253 304 V C 0.510 176.605 176.094 0.001 0.000 1.340 304 V CA -0.345 61.957 62.300 0.003 0.000 1.103 304 V CB -0.065 31.760 31.823 0.003 0.000 0.881 304 V HN -0.049 nan 8.190 nan 0.000 0.451 305 L N 2.364 123.587 121.223 0.001 0.000 2.349 305 L HA 0.478 4.818 4.340 0.001 0.000 0.275 305 L C 0.420 177.289 176.870 -0.000 0.000 1.115 305 L CA 0.219 55.059 54.840 -0.000 0.000 0.820 305 L CB 1.334 43.392 42.059 -0.002 0.000 1.135 305 L HN 0.184 nan 8.230 nan 0.000 0.445 306 S N 0.747 116.447 115.700 -0.001 0.000 2.646 306 S HA 0.831 5.301 4.470 0.001 0.000 0.276 306 S C 0.186 174.786 174.600 -0.000 0.000 1.222 306 S CA -0.419 57.781 58.200 -0.000 0.000 1.014 306 S CB 1.846 65.046 63.200 0.000 0.000 0.991 306 S HN 0.834 nan 8.310 nan 0.000 0.533 307 G N 1.078 109.878 108.800 0.000 0.000 2.623 307 G HA2 0.611 4.571 3.960 0.001 0.000 0.290 307 G HA3 0.611 4.571 3.960 0.001 0.000 0.290 307 G C -3.168 171.733 174.900 0.002 0.000 1.437 307 G CA -0.942 44.159 45.100 0.001 0.000 0.798 307 G HN 0.552 nan 8.290 nan 0.000 0.488 308 P HA 0.511 nan 4.420 nan 0.000 0.269 308 P C -0.416 176.887 177.300 0.006 0.000 1.215 308 P CA -0.146 62.957 63.100 0.006 0.000 0.780 308 P CB 1.539 33.244 31.700 0.009 0.000 0.898 309 A N 2.642 125.466 122.820 0.007 0.000 3.105 309 A HA 0.430 4.751 4.320 0.001 0.000 0.336 309 A C -0.612 176.979 177.584 0.012 0.000 1.042 309 A CA -0.450 51.592 52.037 0.007 0.000 0.851 309 A CB -0.387 18.616 19.000 0.005 0.000 1.068 309 A HN 0.340 nan 8.150 nan 0.000 0.477 310 L N 1.964 123.199 121.223 0.020 0.000 2.343 310 L HA 0.425 4.765 4.340 0.001 0.000 0.275 310 L C -0.077 176.819 176.870 0.043 0.000 1.056 310 L CA -0.207 54.651 54.840 0.030 0.000 0.804 310 L CB 1.436 43.520 42.059 0.042 0.000 1.203 310 L HN 0.630 nan 8.230 nan 0.000 0.440 311 D N 1.812 122.238 120.400 0.043 0.000 2.303 311 D HA 0.128 4.768 4.640 0.001 0.000 0.236 311 D C -0.293 176.061 176.300 0.091 0.000 1.068 311 D CA -0.564 53.473 54.000 0.061 0.000 0.830 311 D CB 1.298 42.116 40.800 0.029 0.000 1.109 311 D HN 0.201 nan 8.370 nan 0.000 0.496 312 F N 2.112 122.052 119.950 -0.017 0.000 2.608 312 F HA 0.034 4.561 4.527 0.001 0.000 0.380 312 F C 0.730 176.522 175.800 -0.014 0.000 1.083 312 F CA 0.383 58.374 58.000 -0.015 0.000 1.266 312 F CB 0.996 39.986 39.000 -0.018 0.000 1.076 312 F HN 0.277 nan 8.300 nan 0.000 0.574 313 S N 3.320 118.548 115.700 -0.786 0.000 2.520 313 S HA 0.234 4.704 4.470 0.001 0.000 0.219 313 S C 1.151 175.244 174.600 -0.846 0.000 1.028 313 S CA 0.083 57.905 58.200 -0.630 0.000 0.921 313 S CB 0.076 63.088 63.200 -0.314 0.000 0.844 313 S HN 0.913 nan 8.310 nan 0.000 0.495 314 G N 1.690 109.625 108.800 -1.441 0.000 2.479 314 G HA2 0.120 4.081 3.960 0.001 0.000 0.275 314 G HA3 0.120 4.081 3.960 0.001 0.000 0.275 314 G C -0.568 174.137 174.900 -0.325 0.000 1.421 314 G CA -0.215 44.455 45.100 -0.717 0.000 1.059 314 G HN 0.243 nan 8.290 nan 0.000 0.535 315 D N -0.603 119.832 120.400 0.057 0.000 2.313 315 D HA 0.165 4.805 4.640 0.001 0.000 0.239 315 D C 1.208 177.684 176.300 0.293 0.000 1.142 315 D CA -0.267 53.813 54.000 0.134 0.000 0.847 315 D CB 1.102 41.945 40.800 0.073 0.000 1.082 315 D HN 0.301 nan 8.370 nan 0.000 0.480 316 K N 3.000 123.567 120.400 0.278 0.000 2.026 316 K HA -0.158 4.162 4.320 0.001 0.000 0.208 316 K C 1.814 178.462 176.600 0.079 0.000 1.048 316 K CA 0.886 57.293 56.287 0.200 0.000 0.929 316 K CB 0.198 32.778 32.500 0.134 0.000 0.713 316 K HN 0.351 nan 8.250 nan 0.000 0.439 317 K N 1.435 121.875 120.400 0.067 0.000 2.057 317 K HA -0.183 4.137 4.320 0.001 0.000 0.207 317 K C 1.865 178.490 176.600 0.043 0.000 1.049 317 K CA 1.496 57.808 56.287 0.041 0.000 0.931 317 K CB 0.102 32.621 32.500 0.032 0.000 0.714 317 K HN 0.172 nan 8.250 nan 0.000 0.440 318 E N -0.117 120.114 120.200 0.053 0.000 2.077 318 E HA -0.175 4.175 4.350 0.001 0.000 0.193 318 E C 1.946 178.563 176.600 0.028 0.000 0.989 318 E CA 1.432 57.854 56.400 0.037 0.000 0.800 318 E CB 0.078 29.808 29.700 0.049 0.000 0.746 318 E HN 0.101 nan 8.360 nan 0.000 0.452 319 V N 1.260 121.204 119.914 0.049 0.000 2.453 319 V HA -0.207 3.913 4.120 0.001 0.000 0.247 319 V C 2.200 178.292 176.094 -0.003 0.000 1.048 319 V CA 1.185 63.489 62.300 0.007 0.000 1.049 319 V CB -0.333 31.460 31.823 -0.049 0.000 0.672 319 V HN 0.246 nan 8.190 nan 0.000 0.457 320 I N 0.435 121.019 120.570 0.023 0.000 2.208 320 I HA -0.278 3.893 4.170 0.001 0.000 0.245 320 I C 2.633 178.860 176.117 0.182 0.000 1.097 320 I CA 1.980 63.351 61.300 0.118 0.000 1.363 320 I CB -0.271 37.780 38.000 0.084 0.000 1.051 320 I HN 0.363 nan 8.210 nan 0.000 0.413 321 E N 1.452 121.691 120.200 0.065 0.000 2.106 321 E HA -0.198 4.152 4.350 0.001 0.000 0.192 321 E C 2.024 178.519 176.600 -0.175 0.000 0.984 321 E CA 1.511 57.881 56.400 -0.051 0.000 0.806 321 E CB -0.062 29.604 29.700 -0.056 0.000 0.750 321 E HN 0.280 nan 8.360 nan 0.000 0.458 322 K N -0.048 120.279 120.400 -0.121 0.000 2.097 322 K HA -0.089 4.231 4.320 0.001 0.000 0.206 322 K C 2.196 178.692 176.600 -0.174 0.000 1.049 322 K CA 1.559 57.750 56.287 -0.160 0.000 0.933 322 K CB -0.225 32.221 32.500 -0.090 0.000 0.717 322 K HN 0.238 nan 8.250 nan 0.000 0.442 323 I N 0.528 121.050 120.570 -0.081 0.000 2.252 323 I HA -0.263 3.907 4.170 0.001 0.000 0.245 323 I C 2.667 178.616 176.117 -0.280 0.000 1.102 323 I CA 0.956 62.246 61.300 -0.017 0.000 1.385 323 I CB -0.249 37.862 38.000 0.185 0.000 1.064 323 I HN 0.156 nan 8.210 nan 0.000 0.414 324 R N 1.573 121.726 120.500 -0.577 0.000 2.094 324 R HA -0.233 4.107 4.340 0.001 0.000 0.239 324 R C 2.307 178.202 176.300 -0.676 0.000 1.137 324 R CA 1.889 57.277 56.100 -1.186 0.000 0.943 324 R CB -0.116 29.378 30.300 -1.343 0.000 0.850 324 R HN 0.290 nan 8.270 nan 0.000 0.433 325 K N -0.289 119.761 120.400 -0.584 0.000 2.032 325 K HA -0.142 4.178 4.320 0.001 0.000 0.209 325 K C 2.126 178.574 176.600 -0.253 0.000 1.048 325 K CA 1.543 57.470 56.287 -0.601 0.000 0.927 325 K CB -0.235 31.719 32.500 -0.909 0.000 0.712 325 K HN 0.250 nan 8.250 nan 0.000 0.441 326 A N 1.459 124.077 122.820 -0.336 0.000 1.940 326 A HA -0.189 4.131 4.320 0.001 0.000 0.219 326 A C 2.094 179.385 177.584 -0.488 0.000 1.176 326 A CA 1.336 53.111 52.037 -0.437 0.000 0.631 326 A CB -0.556 18.129 19.000 -0.524 0.000 0.814 326 A HN 0.256 nan 8.150 nan 0.000 0.446 327 L N -1.846 119.170 121.223 -0.346 0.000 1.994 327 L HA -0.145 4.195 4.340 0.001 0.000 0.208 327 L C 2.287 179.153 176.870 -0.008 0.000 1.071 327 L CA 2.356 57.116 54.840 -0.133 0.000 0.745 327 L CB -1.016 41.020 42.059 -0.039 0.000 0.892 327 L HN 0.488 nan 8.230 nan 0.000 0.431 328 Y N -0.970 119.258 120.300 -0.119 0.000 2.242 328 Y HA -0.257 4.293 4.550 0.001 0.000 0.291 328 Y C 2.388 178.308 175.900 0.034 0.000 1.137 328 Y CA 1.597 59.661 58.100 -0.060 0.000 1.181 328 Y CB -0.634 37.839 38.460 0.021 0.000 0.989 328 Y HN 0.322 nan 8.280 nan 0.000 0.527 329 F N -0.039 119.904 119.950 -0.012 0.000 2.102 329 F HA -0.228 4.299 4.527 0.001 0.000 0.298 329 F C 2.428 178.152 175.800 -0.127 0.000 1.105 329 F CA 2.211 60.157 58.000 -0.091 0.000 1.239 329 F CB -0.652 38.301 39.000 -0.079 0.000 0.991 329 F HN -0.076 nan 8.300 nan 0.000 0.474 330 S N 0.035 115.805 115.700 0.118 0.000 2.371 330 S HA -0.182 4.288 4.470 0.001 0.000 0.224 330 S C 1.966 176.577 174.600 0.019 0.000 1.029 330 S CA 1.189 59.423 58.200 0.056 0.000 0.978 330 S CB -0.373 62.809 63.200 -0.029 0.000 0.833 330 S HN 0.365 nan 8.310 nan 0.000 0.466 331 K N 1.160 121.570 120.400 0.016 0.000 2.063 331 K HA -0.073 4.248 4.320 0.001 0.000 0.208 331 K C 1.875 178.535 176.600 0.099 0.000 1.048 331 K CA 1.305 57.637 56.287 0.076 0.000 0.928 331 K CB -0.281 32.191 32.500 -0.046 0.000 0.713 331 K HN 0.294 nan 8.250 nan 0.000 0.442 332 I N 0.703 121.206 120.570 -0.113 0.000 2.286 332 I HA -0.293 3.877 4.170 0.001 0.000 0.248 332 I C 2.242 178.299 176.117 -0.101 0.000 1.115 332 I CA 0.768 62.014 61.300 -0.091 0.000 1.392 332 I CB -0.149 37.725 38.000 -0.210 0.000 1.065 332 I HN 0.255 nan 8.210 nan 0.000 0.418 333 M N -0.372 119.127 119.600 -0.169 0.000 2.117 333 M HA -0.201 4.280 4.480 0.001 0.000 0.262 333 M C 2.584 178.787 176.300 -0.162 0.000 1.065 333 M CA 1.597 56.805 55.300 -0.155 0.000 1.114 333 M CB -1.501 31.038 32.600 -0.103 0.000 1.361 333 M HN 0.181 nan 8.290 nan 0.000 0.408 334 S N -0.645 115.037 115.700 -0.030 0.000 2.368 334 S HA -0.133 4.338 4.470 0.001 0.000 0.224 334 S C 1.926 176.532 174.600 0.010 0.000 1.029 334 S CA 1.058 59.237 58.200 -0.034 0.000 0.988 334 S CB -0.190 63.032 63.200 0.036 0.000 0.838 334 S HN 0.396 nan 8.310 nan 0.000 0.462 335 Y N 1.579 121.911 120.300 0.054 0.000 2.263 335 Y HA 0.134 4.685 4.550 0.001 0.000 0.292 335 Y C 2.667 178.663 175.900 0.160 0.000 1.130 335 Y CA 0.645 58.865 58.100 0.201 0.000 1.179 335 Y CB -0.912 37.712 38.460 0.274 0.000 0.998 335 Y HN 0.338 nan 8.280 nan 0.000 0.532 336 A N 0.015 122.894 122.820 0.099 0.000 1.908 336 A HA -0.295 4.026 4.320 0.001 0.000 0.218 336 A C 2.101 179.684 177.584 -0.001 0.000 1.181 336 A CA 2.064 54.088 52.037 -0.022 0.000 0.627 336 A CB -0.746 18.180 19.000 -0.123 0.000 0.818 336 A HN 0.542 nan 8.150 nan 0.000 0.445 337 Q N -0.964 118.763 119.800 -0.122 0.000 2.050 337 Q HA -0.094 4.246 4.340 0.001 0.000 0.202 337 Q C 2.272 178.251 176.000 -0.036 0.000 0.980 337 Q CA 1.290 56.996 55.803 -0.162 0.000 0.840 337 Q CB -0.478 28.047 28.738 -0.355 0.000 0.898 337 Q HN 0.682 nan 8.270 nan 0.000 0.424 338 G N -0.150 108.638 108.800 -0.020 0.000 2.418 338 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 338 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 338 G C 1.017 175.910 174.900 -0.012 0.000 1.158 338 G CA 0.454 45.534 45.100 -0.034 0.000 0.771 338 G HN 0.215 nan 8.290 nan 0.000 0.545 339 F N 1.530 121.513 119.950 0.055 0.000 2.325 339 F HA 0.180 4.707 4.527 0.001 0.000 0.299 339 F C 2.908 178.689 175.800 -0.031 0.000 1.090 339 F CA 0.716 58.747 58.000 0.051 0.000 1.392 339 F CB 0.017 39.092 39.000 0.124 0.000 1.053 339 F HN 0.231 nan 8.300 nan 0.000 0.521 340 A N -0.553 122.343 122.820 0.127 0.000 1.930 340 A HA -0.233 4.087 4.320 0.001 0.000 0.217 340 A C 2.141 179.754 177.584 0.049 0.000 1.175 340 A CA 1.574 53.646 52.037 0.058 0.000 0.627 340 A CB -0.795 18.239 19.000 0.056 0.000 0.815 340 A HN 0.440 nan 8.150 nan 0.000 0.443 341 Q N -0.293 119.544 119.800 0.061 0.000 2.084 341 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 341 Q C 1.932 178.007 176.000 0.125 0.000 0.978 341 Q CA 1.525 57.384 55.803 0.094 0.000 0.844 341 Q CB -0.256 28.546 28.738 0.106 0.000 0.898 341 Q HN 0.671 nan 8.270 nan 0.000 0.426 342 L N 0.102 121.394 121.223 0.115 0.000 2.083 342 L HA -0.194 4.147 4.340 0.001 0.000 0.209 342 L C 2.794 179.758 176.870 0.157 0.000 1.083 342 L CA 1.402 56.337 54.840 0.159 0.000 0.752 342 L CB -0.416 41.703 42.059 0.099 0.000 0.899 342 L HN 0.253 nan 8.230 nan 0.000 0.433 343 R N 0.098 120.625 120.500 0.044 0.000 2.073 343 R HA -0.179 4.161 4.340 0.001 0.000 0.234 343 R C 2.474 178.791 176.300 0.029 0.000 1.134 343 R CA 1.257 57.369 56.100 0.019 0.000 0.952 343 R CB -0.029 30.200 30.300 -0.119 0.000 0.850 343 R HN 0.039 nan 8.270 nan 0.000 0.433 344 K N 0.482 120.877 120.400 -0.008 0.000 2.026 344 K HA -0.070 4.250 4.320 0.001 0.000 0.208 344 K C 1.865 178.363 176.600 -0.170 0.000 1.048 344 K CA 1.645 57.895 56.287 -0.063 0.000 0.929 344 K CB -0.416 32.064 32.500 -0.034 0.000 0.713 344 K HN 0.278 nan 8.250 nan 0.000 0.439 345 A N 0.305 123.022 122.820 -0.171 0.000 1.908 345 A HA -0.163 4.157 4.320 0.001 0.000 0.218 345 A C 2.386 179.733 177.584 -0.395 0.000 1.181 345 A CA 2.356 54.169 52.037 -0.373 0.000 0.627 345 A CB -0.816 17.804 19.000 -0.634 0.000 0.818 345 A HN 0.398 nan 8.150 nan 0.000 0.445 346 S N -0.968 114.655 115.700 -0.129 0.000 2.368 346 S HA -0.203 4.267 4.470 0.001 0.000 0.225 346 S C 2.063 176.572 174.600 -0.152 0.000 1.030 346 S CA 1.654 59.838 58.200 -0.027 0.000 0.999 346 S CB -0.307 62.984 63.200 0.152 0.000 0.844 346 S HN 0.684 nan 8.310 nan 0.000 0.459 347 E N 0.080 120.186 120.200 -0.156 0.000 2.047 347 E HA -0.182 4.168 4.350 0.001 0.000 0.191 347 E C 2.041 178.457 176.600 -0.307 0.000 0.987 347 E CA 1.292 57.590 56.400 -0.170 0.000 0.799 347 E CB -0.229 29.400 29.700 -0.118 0.000 0.752 347 E HN 0.452 nan 8.360 nan 0.000 0.449 348 E N -0.162 119.743 120.200 -0.492 0.000 2.058 348 E HA -0.171 4.179 4.350 0.001 0.000 0.194 348 E C 1.304 177.382 176.600 -0.870 0.000 0.997 348 E CA 1.519 57.466 56.400 -0.756 0.000 0.801 348 E CB -0.202 28.814 29.700 -1.140 0.000 0.746 348 E HN 0.269 nan 8.360 nan 0.000 0.450 349 F N -0.031 119.522 119.950 -0.661 0.000 2.695 349 F HA 0.243 4.771 4.527 0.001 0.000 0.303 349 F C 0.180 175.533 175.800 -0.746 0.000 1.091 349 F CA 0.204 57.672 58.000 -0.887 0.000 1.300 349 F CB -0.044 37.880 39.000 -1.792 0.000 1.071 349 F HN -0.113 nan 8.300 nan 0.000 0.578 350 D N -0.655 119.528 120.400 -0.360 0.000 2.828 350 D HA -0.230 4.411 4.640 0.001 0.000 0.241 350 D C 0.186 176.505 176.300 0.031 0.000 1.142 350 D CA 0.344 54.266 54.000 -0.131 0.000 0.755 350 D CB -1.051 39.712 40.800 -0.061 0.000 1.014 350 D HN 0.280 nan 8.370 nan 0.000 0.420 351 W N 0.800 122.080 121.300 -0.033 0.000 2.975 351 W HA 0.251 4.912 4.660 0.001 0.000 0.316 351 W C 0.990 177.433 176.519 -0.127 0.000 1.131 351 W CA 0.438 57.732 57.345 -0.084 0.000 1.624 351 W CB -0.288 29.095 29.460 -0.128 0.000 1.038 351 W HN 0.347 nan 8.180 nan 0.000 0.571 352 D N 1.233 121.687 120.400 0.090 0.000 2.735 352 D HA -0.202 4.438 4.640 0.001 0.000 0.235 352 D C -0.024 176.169 176.300 -0.179 0.000 1.175 352 D CA 0.498 54.478 54.000 -0.033 0.000 0.683 352 D CB -1.097 39.698 40.800 -0.009 0.000 1.008 352 D HN 0.037 nan 8.370 nan 0.000 0.416 353 L N 0.753 121.820 121.223 -0.259 0.000 2.499 353 L HA 0.173 4.513 4.340 0.001 0.000 0.273 353 L C -1.406 174.937 176.870 -0.878 0.000 1.195 353 L CA -0.994 53.555 54.840 -0.485 0.000 0.882 353 L CB 0.273 42.113 42.059 -0.364 0.000 1.133 353 L HN 0.145 nan 8.230 nan 0.000 0.483 354 P HA 0.120 nan 4.420 nan 0.000 0.262 354 P C -0.276 176.742 177.300 -0.470 0.000 1.620 354 P CA -0.358 62.444 63.100 -0.497 0.000 1.089 354 P CB 0.352 31.889 31.700 -0.273 0.000 1.601 355 Y N 2.286 122.389 120.300 -0.328 0.000 2.163 355 Y HA -0.093 4.457 4.550 0.001 0.000 0.288 355 Y C 2.792 178.529 175.900 -0.272 0.000 1.136 355 Y CA 2.055 59.874 58.100 -0.468 0.000 1.147 355 Y CB -1.681 35.947 38.460 -1.387 0.000 0.987 355 Y HN 0.289 nan 8.280 nan 0.000 0.509 356 G N -0.791 107.984 108.800 -0.043 0.000 2.442 356 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 356 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 356 G C 1.672 176.574 174.900 0.002 0.000 1.141 356 G CA 1.742 46.903 45.100 0.101 0.000 0.763 356 G HN 0.385 nan 8.290 nan 0.000 0.554 357 T N 1.130 115.645 114.554 -0.066 0.000 2.867 357 T HA 0.023 4.373 4.350 0.001 0.000 0.268 357 T C 2.370 176.965 174.700 -0.174 0.000 1.057 357 T CA 0.691 62.733 62.100 -0.096 0.000 1.136 357 T CB -0.077 68.725 68.868 -0.109 0.000 0.874 357 T HN 0.260 nan 8.240 nan 0.000 0.466 358 I N 1.523 121.946 120.570 -0.246 0.000 2.163 358 I HA -0.220 3.951 4.170 0.001 0.000 0.243 358 I C 2.940 178.673 176.117 -0.640 0.000 1.085 358 I CA 1.267 62.247 61.300 -0.533 0.000 1.347 358 I CB -0.483 37.176 38.000 -0.569 0.000 1.044 358 I HN 0.198 nan 8.210 nan 0.000 0.408 359 A N -0.125 122.574 122.820 -0.202 0.000 1.908 359 A HA -0.311 4.010 4.320 0.001 0.000 0.218 359 A C 2.296 179.896 177.584 0.026 0.000 1.181 359 A CA 1.999 54.044 52.037 0.013 0.000 0.627 359 A CB -0.770 18.264 19.000 0.056 0.000 0.818 359 A HN 0.525 nan 8.150 nan 0.000 0.445 360 Q N -0.118 119.668 119.800 -0.024 0.000 2.061 360 Q HA -0.171 4.169 4.340 0.001 0.000 0.204 360 Q C 1.903 177.922 176.000 0.031 0.000 0.984 360 Q CA 2.047 57.855 55.803 0.008 0.000 0.846 360 Q CB -0.369 28.363 28.738 -0.009 0.000 0.902 360 Q HN 0.878 nan 8.270 nan 0.000 0.421 361 I N -3.284 117.267 120.570 -0.031 0.000 3.291 361 I HA -0.026 4.144 4.170 0.001 0.000 0.279 361 I C 0.662 176.902 176.117 0.205 0.000 1.294 361 I CA 0.132 61.448 61.300 0.028 0.000 1.428 361 I CB -0.192 37.787 38.000 -0.036 0.000 1.070 361 I HN 0.159 nan 8.210 nan 0.000 0.478 362 W N 2.026 123.391 121.300 0.108 0.000 3.290 362 W HA 0.254 4.915 4.660 0.001 0.000 0.287 362 W C 2.022 178.627 176.519 0.143 0.000 1.288 362 W CA -0.369 57.067 57.345 0.152 0.000 1.725 362 W CB -0.641 28.965 29.460 0.243 0.000 1.103 362 W HN 0.189 nan 8.180 nan 0.000 0.670 363 R N 0.186 120.861 120.500 0.291 0.000 2.235 363 R HA 0.220 4.561 4.340 0.001 0.000 0.213 363 R C 0.751 177.141 176.300 0.150 0.000 1.059 363 R CA 0.843 57.065 56.100 0.203 0.000 0.997 363 R CB 0.113 30.494 30.300 0.136 0.000 0.884 363 R HN -0.073 nan 8.270 nan 0.000 0.462 364 A N -1.803 121.099 122.820 0.137 0.000 2.602 364 A HA 0.548 4.868 4.320 0.001 0.000 0.290 364 A C 0.237 177.859 177.584 0.063 0.000 1.114 364 A CA -0.174 51.905 52.037 0.070 0.000 0.683 364 A CB 1.084 20.108 19.000 0.039 0.000 1.281 364 A HN 0.130 nan 8.150 nan 0.000 0.416 365 G N -1.441 107.362 108.800 0.005 0.000 2.168 365 G HA2 0.015 3.976 3.960 0.001 0.000 0.257 365 G HA3 0.015 3.976 3.960 0.001 0.000 0.257 365 G C 0.679 175.591 174.900 0.020 0.000 0.997 365 G CA 0.922 46.020 45.100 -0.002 0.000 0.708 365 G HN 2.648 nan 8.290 nan 0.000 0.520 366 C N -2.533 116.796 119.300 0.049 0.000 3.285 366 C HA 0.754 5.214 4.460 0.001 0.000 0.325 366 C C 1.394 176.471 174.990 0.144 0.000 1.304 366 C CA -0.495 58.592 59.018 0.114 0.000 1.319 366 C CB 0.941 28.783 27.740 0.170 0.000 1.640 366 C HN 0.366 nan 8.230 nan 0.000 0.477 367 I N 1.583 122.265 120.570 0.187 0.000 2.617 367 I HA -0.019 4.152 4.170 0.001 0.000 0.256 367 I C 1.975 178.215 176.117 0.206 0.000 1.167 367 I CA 1.511 62.955 61.300 0.239 0.000 1.469 367 I CB 0.063 38.167 38.000 0.172 0.000 1.098 367 I HN 0.830 nan 8.210 nan 0.000 0.436 368 I N 0.037 120.670 120.570 0.105 0.000 3.646 368 I HA 0.000 4.170 4.170 0.001 0.000 0.301 368 I C 1.091 177.366 176.117 0.264 0.000 1.276 368 I CA -0.350 61.027 61.300 0.128 0.000 1.254 368 I CB -0.628 37.350 38.000 -0.037 0.000 1.020 368 I HN 0.107 nan 8.210 nan 0.000 0.473 369 R N 2.330 122.985 120.500 0.258 0.000 2.538 369 R HA 0.518 4.858 4.340 0.001 0.000 0.282 369 R C -0.507 175.972 176.300 0.299 0.000 1.009 369 R CA 0.421 56.684 56.100 0.273 0.000 1.063 369 R CB 0.081 30.494 30.300 0.189 0.000 0.945 369 R HN 0.329 nan 8.270 nan 0.000 0.414 370 A N 2.397 125.412 122.820 0.325 0.000 2.604 370 A HA 0.245 4.565 4.320 0.001 0.000 0.295 370 A C 0.231 178.012 177.584 0.328 0.000 1.067 370 A CA -0.918 51.326 52.037 0.346 0.000 0.683 370 A CB 1.673 20.944 19.000 0.450 0.000 1.281 370 A HN 0.757 nan 8.150 nan 0.000 0.407 371 E N 0.714 121.082 120.200 0.280 0.000 2.110 371 E HA -0.162 4.188 4.350 0.001 0.000 0.193 371 E C 1.404 178.151 176.600 0.245 0.000 0.988 371 E CA 1.857 58.386 56.400 0.214 0.000 0.804 371 E CB -0.310 29.485 29.700 0.159 0.000 0.745 371 E HN 0.843 nan 8.360 nan 0.000 0.458 372 F N 0.567 120.576 119.950 0.098 0.000 2.641 372 F HA 0.024 4.551 4.527 0.001 0.000 0.298 372 F C 1.742 177.569 175.800 0.045 0.000 1.146 372 F CA 0.305 58.355 58.000 0.083 0.000 1.464 372 F CB -0.856 38.291 39.000 0.246 0.000 1.101 372 F HN -0.124 nan 8.300 nan 0.000 0.585 373 L N 0.170 121.220 121.223 -0.288 0.000 2.129 373 L HA -0.250 4.091 4.340 0.001 0.000 0.212 373 L C 2.700 179.462 176.870 -0.181 0.000 1.087 373 L CA 1.649 56.306 54.840 -0.305 0.000 0.757 373 L CB -0.808 41.273 42.059 0.037 0.000 0.896 373 L HN 0.272 nan 8.230 nan 0.000 0.434 374 Q N 0.726 120.464 119.800 -0.103 0.000 2.170 374 Q HA -0.201 4.139 4.340 0.001 0.000 0.203 374 Q C 1.691 177.593 176.000 -0.164 0.000 0.976 374 Q CA 1.911 57.658 55.803 -0.094 0.000 0.858 374 Q CB -0.229 28.472 28.738 -0.061 0.000 0.907 374 Q HN 0.548 nan 8.270 nan 0.000 0.433 375 N N -0.893 117.650 118.700 -0.262 0.000 2.270 375 N HA -0.025 4.715 4.740 0.001 0.000 0.181 375 N C 1.466 176.892 175.510 -0.140 0.000 1.016 375 N CA 1.189 54.003 53.050 -0.394 0.000 0.870 375 N CB -0.026 37.957 38.487 -0.839 0.000 0.979 375 N HN 0.251 nan 8.380 nan 0.000 0.431 376 I N 0.443 120.946 120.570 -0.111 0.000 2.142 376 I HA -0.251 3.920 4.170 0.001 0.000 0.240 376 I C 1.955 178.027 176.117 -0.076 0.000 1.078 376 I CA 1.115 62.329 61.300 -0.143 0.000 1.343 376 I CB -0.505 37.293 38.000 -0.336 0.000 1.046 376 I HN 0.169 nan 8.210 nan 0.000 0.405 377 T N 0.172 114.704 114.554 -0.037 0.000 2.684 377 T HA -0.196 4.154 4.350 0.001 0.000 0.267 377 T C 1.505 176.217 174.700 0.021 0.000 1.036 377 T CA 1.648 63.771 62.100 0.039 0.000 1.148 377 T CB -0.383 68.490 68.868 0.008 0.000 0.863 377 T HN 0.299 nan 8.240 nan 0.000 0.436 378 D N 1.340 121.712 120.400 -0.047 0.000 2.133 378 D HA -0.096 4.544 4.640 0.001 0.000 0.195 378 D C 2.311 178.581 176.300 -0.050 0.000 0.997 378 D CA 1.394 55.360 54.000 -0.057 0.000 0.840 378 D CB -0.491 40.239 40.800 -0.117 0.000 0.947 378 D HN 0.440 nan 8.370 nan 0.000 0.452 379 A N 0.007 122.770 122.820 -0.095 0.000 1.898 379 A HA -0.132 4.189 4.320 0.001 0.000 0.216 379 A C 1.963 179.411 177.584 -0.227 0.000 1.181 379 A CA 0.973 52.900 52.037 -0.183 0.000 0.620 379 A CB -0.826 18.005 19.000 -0.281 0.000 0.819 379 A HN 0.160 nan 8.150 nan 0.000 0.442 380 F N 0.408 120.353 119.950 -0.008 0.000 2.456 380 F HA -0.016 4.512 4.527 0.001 0.000 0.298 380 F C 1.812 177.630 175.800 0.030 0.000 1.104 380 F CA 0.827 58.842 58.000 0.025 0.000 1.435 380 F CB -0.257 38.778 39.000 0.058 0.000 1.078 380 F HN 0.172 nan 8.300 nan 0.000 0.546 381 D N 0.293 120.786 120.400 0.156 0.000 2.178 381 D HA -0.175 4.465 4.640 0.001 0.000 0.201 381 D C 2.177 178.517 176.300 0.066 0.000 0.980 381 D CA 1.109 55.163 54.000 0.090 0.000 0.842 381 D CB -0.186 40.642 40.800 0.047 0.000 0.948 381 D HN 0.238 nan 8.370 nan 0.000 0.472 382 K N -0.362 120.066 120.400 0.046 0.000 2.167 382 K HA -0.079 4.241 4.320 0.001 0.000 0.203 382 K C -0.282 176.346 176.600 0.046 0.000 1.052 382 K CA 0.710 57.015 56.287 0.029 0.000 0.956 382 K CB 0.524 33.026 32.500 0.003 0.000 0.735 382 K HN -0.085 nan 8.250 nan 0.000 0.451 383 D N -0.769 119.675 120.400 0.074 0.000 2.419 383 D HA 0.017 4.658 4.640 0.001 0.000 0.219 383 D C 0.167 176.591 176.300 0.207 0.000 1.349 383 D CA -0.149 53.911 54.000 0.101 0.000 0.964 383 D CB 1.333 42.169 40.800 0.060 0.000 1.463 383 D HN 0.061 nan 8.370 nan 0.000 0.573 384 S N 2.559 118.393 115.700 0.224 0.000 2.423 384 S HA -0.090 4.380 4.470 0.001 0.000 0.231 384 S C 1.018 175.828 174.600 0.349 0.000 1.014 384 S CA 0.583 58.974 58.200 0.317 0.000 0.965 384 S CB 0.089 63.400 63.200 0.186 0.000 0.785 384 S HN 0.426 nan 8.310 nan 0.000 0.495 385 E N 0.953 121.292 120.200 0.232 0.000 2.437 385 E HA 0.249 4.600 4.350 0.001 0.000 0.189 385 E C -0.009 176.693 176.600 0.170 0.000 1.054 385 E CA -0.279 56.235 56.400 0.190 0.000 0.874 385 E CB -0.137 29.637 29.700 0.123 0.000 1.011 385 E HN 0.469 nan 8.360 nan 0.000 0.474 386 L N 1.949 123.296 121.223 0.207 0.000 2.628 386 L HA -0.080 4.261 4.340 0.001 0.000 0.274 386 L C 1.109 178.053 176.870 0.123 0.000 1.209 386 L CA 0.631 55.536 54.840 0.108 0.000 0.930 386 L CB 0.467 42.494 42.059 -0.053 0.000 1.183 386 L HN -0.045 nan 8.230 nan 0.000 0.492 387 E N 2.932 123.177 120.200 0.076 0.000 2.152 387 E HA -0.022 4.328 4.350 0.001 0.000 0.192 387 E C 0.177 176.817 176.600 0.066 0.000 0.983 387 E CA 0.662 57.107 56.400 0.076 0.000 0.818 387 E CB 0.112 29.865 29.700 0.089 0.000 0.758 387 E HN 0.636 nan 8.360 nan 0.000 0.467 388 N N -0.575 118.146 118.700 0.035 0.000 2.452 388 N HA 0.058 4.798 4.740 0.001 0.000 0.277 388 N C 0.151 175.585 175.510 -0.126 0.000 1.078 388 N CA -0.173 52.860 53.050 -0.028 0.000 0.947 388 N CB 1.350 39.824 38.487 -0.023 0.000 1.655 388 N HN -0.071 nan 8.380 nan 0.000 0.490 389 L N 2.493 123.566 121.223 -0.250 0.000 2.081 389 L HA -0.144 4.197 4.340 0.001 0.000 0.212 389 L C 2.103 178.796 176.870 -0.294 0.000 1.080 389 L CA 1.225 55.792 54.840 -0.455 0.000 0.754 389 L CB -0.147 41.447 42.059 -0.775 0.000 0.893 389 L HN 0.580 nan 8.230 nan 0.000 0.433 390 L N -0.413 120.702 121.223 -0.181 0.000 2.349 390 L HA -0.214 4.126 4.340 0.001 0.000 0.220 390 L C 2.104 179.033 176.870 0.098 0.000 1.130 390 L CA 0.960 55.799 54.840 -0.003 0.000 0.791 390 L CB -0.413 41.670 42.059 0.041 0.000 0.918 390 L HN 0.378 nan 8.230 nan 0.000 0.444 391 L N -1.080 120.185 121.223 0.069 0.000 2.558 391 L HA 0.053 4.394 4.340 0.001 0.000 0.225 391 L C 0.597 177.503 176.870 0.061 0.000 1.128 391 L CA -0.169 54.718 54.840 0.078 0.000 0.868 391 L CB -0.276 41.826 42.059 0.071 0.000 1.006 391 L HN 0.150 nan 8.230 nan 0.000 0.454 392 D N -0.344 120.102 120.400 0.077 0.000 2.304 392 D HA -0.012 4.628 4.640 0.001 0.000 0.250 392 D C 0.874 177.253 176.300 0.132 0.000 1.107 392 D CA -0.301 53.758 54.000 0.098 0.000 0.885 392 D CB 1.080 41.956 40.800 0.127 0.000 1.192 392 D HN -0.074 nan 8.370 nan 0.000 0.436 393 D N 1.943 122.385 120.400 0.071 0.000 2.170 393 D HA -0.282 4.358 4.640 0.001 0.000 0.193 393 D C 1.353 177.661 176.300 0.014 0.000 1.004 393 D CA 1.283 55.307 54.000 0.040 0.000 0.860 393 D CB -0.387 40.428 40.800 0.026 0.000 0.931 393 D HN 0.609 nan 8.370 nan 0.000 0.448 394 Y N 0.203 120.425 120.300 -0.131 0.000 2.097 394 Y HA -0.243 4.308 4.550 0.001 0.000 0.282 394 Y C 2.055 177.762 175.900 -0.321 0.000 1.152 394 Y CA 1.598 59.522 58.100 -0.294 0.000 1.136 394 Y CB -0.619 37.528 38.460 -0.520 0.000 0.975 394 Y HN -0.097 nan 8.280 nan 0.000 0.498 395 F N -1.048 118.849 119.950 -0.088 0.000 2.407 395 F HA -0.110 4.418 4.527 0.001 0.000 0.299 395 F C 2.278 177.972 175.800 -0.177 0.000 1.097 395 F CA 0.980 58.865 58.000 -0.192 0.000 1.422 395 F CB -0.845 38.119 39.000 -0.061 0.000 1.067 395 F HN -0.091 nan 8.300 nan 0.000 0.539 396 V N 0.161 120.106 119.914 0.051 0.000 2.295 396 V HA -0.315 3.805 4.120 0.001 0.000 0.246 396 V C 2.111 178.182 176.094 -0.039 0.000 1.049 396 V CA 2.308 64.634 62.300 0.044 0.000 1.024 396 V CB -0.601 31.253 31.823 0.051 0.000 0.648 396 V HN 0.273 nan 8.190 nan 0.000 0.447 397 D N -0.157 120.161 120.400 -0.137 0.000 2.097 397 D HA -0.167 4.473 4.640 0.001 0.000 0.195 397 D C 2.042 178.178 176.300 -0.273 0.000 0.989 397 D CA 1.238 55.130 54.000 -0.180 0.000 0.827 397 D CB -0.066 40.609 40.800 -0.208 0.000 0.966 397 D HN 0.229 nan 8.370 nan 0.000 0.456 398 I N 1.123 121.421 120.570 -0.452 0.000 2.127 398 I HA -0.255 3.915 4.170 0.001 0.000 0.241 398 I C 2.595 178.515 176.117 -0.327 0.000 1.075 398 I CA 1.922 62.873 61.300 -0.582 0.000 1.334 398 I CB -1.831 35.790 38.000 -0.632 0.000 1.040 398 I HN 0.315 nan 8.210 nan 0.000 0.405 399 T N -1.157 113.311 114.554 -0.142 0.000 2.821 399 T HA -0.209 4.142 4.350 0.001 0.000 0.267 399 T C 1.929 176.662 174.700 0.054 0.000 1.046 399 T CA 1.254 63.368 62.100 0.024 0.000 1.139 399 T CB -0.344 68.460 68.868 -0.105 0.000 0.871 399 T HN 0.272 nan 8.240 nan 0.000 0.454 400 K N 1.090 121.511 120.400 0.035 0.000 2.032 400 K HA -0.108 4.212 4.320 0.001 0.000 0.209 400 K C 2.608 179.234 176.600 0.045 0.000 1.048 400 K CA 1.218 57.540 56.287 0.059 0.000 0.927 400 K CB -0.074 32.447 32.500 0.034 0.000 0.712 400 K HN 0.329 nan 8.250 nan 0.000 0.441 401 R N -1.366 119.146 120.500 0.021 0.000 2.210 401 R HA -0.028 4.312 4.340 0.001 0.000 0.203 401 R C 1.481 177.950 176.300 0.282 0.000 1.010 401 R CA 0.620 56.779 56.100 0.098 0.000 1.008 401 R CB 0.148 30.481 30.300 0.056 0.000 0.923 401 R HN 0.255 nan 8.270 nan 0.000 0.469 402 Y N 1.158 121.435 120.300 -0.040 0.000 2.481 402 Y HA 0.036 4.586 4.550 0.001 0.000 0.258 402 Y C 2.260 177.993 175.900 -0.277 0.000 1.103 402 Y CA -0.195 57.849 58.100 -0.093 0.000 1.287 402 Y CB -0.161 38.309 38.460 0.017 0.000 1.108 402 Y HN 0.119 nan 8.280 nan 0.000 0.529 403 Q N 0.583 120.291 119.800 -0.153 0.000 2.124 403 Q HA -0.255 4.086 4.340 0.001 0.000 0.202 403 Q C 1.824 177.643 176.000 -0.301 0.000 0.977 403 Q CA 2.002 57.531 55.803 -0.457 0.000 0.850 403 Q CB -0.546 28.031 28.738 -0.269 0.000 0.901 403 Q HN 0.545 nan 8.270 nan 0.000 0.429 404 E N 1.218 121.331 120.200 -0.144 0.000 2.058 404 E HA -0.248 4.102 4.350 0.001 0.000 0.194 404 E C 2.014 178.534 176.600 -0.133 0.000 0.997 404 E CA 1.417 57.756 56.400 -0.102 0.000 0.801 404 E CB -0.264 29.405 29.700 -0.051 0.000 0.746 404 E HN 0.487 nan 8.360 nan 0.000 0.450 405 A N 0.522 123.242 122.820 -0.166 0.000 1.902 405 A HA -0.140 4.180 4.320 0.001 0.000 0.217 405 A C 2.452 179.909 177.584 -0.212 0.000 1.181 405 A CA 1.522 53.450 52.037 -0.181 0.000 0.623 405 A CB -0.795 18.065 19.000 -0.233 0.000 0.818 405 A HN 0.237 nan 8.150 nan 0.000 0.443 406 V N 0.225 119.938 119.914 -0.336 0.000 2.282 406 V HA -0.358 3.763 4.120 0.001 0.000 0.249 406 V C 2.677 178.645 176.094 -0.210 0.000 1.057 406 V CA 2.518 64.587 62.300 -0.386 0.000 1.032 406 V CB -0.885 30.482 31.823 -0.761 0.000 0.645 406 V HN 0.558 nan 8.190 nan 0.000 0.447 407 R N -0.208 120.181 120.500 -0.184 0.000 2.081 407 R HA -0.162 4.178 4.340 0.001 0.000 0.235 407 R C 2.100 178.373 176.300 -0.044 0.000 1.131 407 R CA 1.761 57.810 56.100 -0.085 0.000 0.960 407 R CB -0.521 29.740 30.300 -0.065 0.000 0.856 407 R HN 0.535 nan 8.270 nan 0.000 0.436 408 D N 0.169 120.538 120.400 -0.052 0.000 2.117 408 D HA -0.111 4.530 4.640 0.001 0.000 0.197 408 D C 1.970 178.270 176.300 0.000 0.000 0.987 408 D CA 0.951 54.939 54.000 -0.019 0.000 0.829 408 D CB -0.184 40.602 40.800 -0.023 0.000 0.961 408 D HN 0.000 nan 8.370 nan 0.000 0.460 409 V N 0.603 120.511 119.914 -0.010 0.000 2.343 409 V HA -0.190 3.930 4.120 0.001 0.000 0.247 409 V C 2.607 178.743 176.094 0.069 0.000 1.051 409 V CA 0.954 63.275 62.300 0.036 0.000 1.036 409 V CB -0.304 31.553 31.823 0.058 0.000 0.654 409 V HN 0.059 nan 8.190 nan 0.000 0.451 410 V N -0.426 119.523 119.914 0.060 0.000 2.307 410 V HA -0.233 3.887 4.120 0.001 0.000 0.245 410 V C 2.566 178.690 176.094 0.050 0.000 1.045 410 V CA 2.303 64.647 62.300 0.074 0.000 1.024 410 V CB -0.655 31.207 31.823 0.065 0.000 0.651 410 V HN 0.542 nan 8.190 nan 0.000 0.449 411 S N 0.078 115.799 115.700 0.035 0.000 2.353 411 S HA -0.225 4.246 4.470 0.001 0.000 0.222 411 S C 1.917 176.540 174.600 0.038 0.000 1.035 411 S CA 1.990 60.210 58.200 0.032 0.000 1.025 411 S CB -0.514 62.701 63.200 0.026 0.000 0.902 411 S HN 0.443 nan 8.310 nan 0.000 0.440 412 L N 1.647 122.896 121.223 0.043 0.000 2.013 412 L HA -0.134 4.207 4.340 0.001 0.000 0.212 412 L C 2.305 179.198 176.870 0.038 0.000 1.073 412 L CA 2.124 56.995 54.840 0.053 0.000 0.753 412 L CB -0.925 41.167 42.059 0.055 0.000 0.890 412 L HN 0.265 nan 8.230 nan 0.000 0.432 413 A N -1.500 121.338 122.820 0.030 0.000 1.872 413 A HA -0.080 4.240 4.320 0.001 0.000 0.214 413 A C 2.225 179.817 177.584 0.014 0.000 1.187 413 A CA 1.648 53.692 52.037 0.012 0.000 0.614 413 A CB -1.044 17.964 19.000 0.014 0.000 0.826 413 A HN 0.279 nan 8.150 nan 0.000 0.442 414 V N 0.276 120.206 119.914 0.026 0.000 2.332 414 V HA -0.269 3.851 4.120 0.001 0.000 0.248 414 V C 2.713 178.819 176.094 0.020 0.000 1.055 414 V CA 2.038 64.353 62.300 0.024 0.000 1.038 414 V CB -0.766 31.075 31.823 0.031 0.000 0.651 414 V HN 0.529 nan 8.190 nan 0.000 0.450 415 Q N -0.258 119.557 119.800 0.025 0.000 2.170 415 Q HA -0.097 4.243 4.340 0.001 0.000 0.203 415 Q C 2.305 178.319 176.000 0.023 0.000 0.976 415 Q CA 1.845 57.663 55.803 0.025 0.000 0.858 415 Q CB -0.476 28.281 28.738 0.031 0.000 0.907 415 Q HN 0.675 nan 8.270 nan 0.000 0.433 416 A N -0.736 122.098 122.820 0.023 0.000 2.123 416 A HA 0.303 4.623 4.320 0.001 0.000 0.214 416 A C 1.510 179.097 177.584 0.005 0.000 1.152 416 A CA 1.157 53.206 52.037 0.019 0.000 0.728 416 A CB -0.008 19.004 19.000 0.020 0.000 0.814 416 A HN 0.419 nan 8.150 nan 0.000 0.464 417 G N -1.544 107.257 108.800 0.002 0.000 2.141 417 G HA2 -0.190 3.770 3.960 0.001 0.000 0.231 417 G HA3 -0.190 3.770 3.960 0.001 0.000 0.231 417 G C 0.261 175.153 174.900 -0.014 0.000 0.984 417 G CA 0.303 45.401 45.100 -0.003 0.000 0.660 417 G HN 0.563 nan 8.290 nan 0.000 0.525 418 T N 3.716 118.257 114.554 -0.022 0.000 2.749 418 T HA 0.514 4.864 4.350 0.001 0.000 0.295 418 T C -1.866 172.810 174.700 -0.039 0.000 0.936 418 T CA -0.552 61.523 62.100 -0.041 0.000 1.060 418 T CB 1.903 70.734 68.868 -0.062 0.000 0.904 418 T HN 0.229 nan 8.240 nan 0.000 0.500 419 P HA 0.287 nan 4.420 nan 0.000 0.276 419 P C -0.459 176.807 177.300 -0.058 0.000 1.243 419 P CA -0.346 62.736 63.100 -0.030 0.000 0.768 419 P CB 0.190 31.878 31.700 -0.020 0.000 0.856 420 I N 1.362 121.908 120.570 -0.041 0.000 2.926 420 I HA 0.328 4.498 4.170 0.001 0.000 0.295 420 I C -2.040 174.091 176.117 0.024 0.000 1.463 420 I CA -2.511 58.742 61.300 -0.079 0.000 0.892 420 I CB 1.730 39.663 38.000 -0.112 0.000 1.874 420 I HN 0.021 nan 8.210 nan 0.000 0.620 421 P HA -0.173 nan 4.420 nan 0.000 0.216 421 P C 1.502 178.876 177.300 0.124 0.000 1.153 421 P CA 2.185 65.331 63.100 0.077 0.000 0.848 421 P CB 0.058 31.799 31.700 0.067 0.000 0.787 422 T N -3.627 111.011 114.554 0.141 0.000 2.851 422 T HA -0.071 4.279 4.350 0.001 0.000 0.262 422 T C 1.796 176.703 174.700 0.345 0.000 1.043 422 T CA 0.631 62.857 62.100 0.210 0.000 1.140 422 T CB -1.242 67.749 68.868 0.205 0.000 0.872 422 T HN -0.196 nan 8.240 nan 0.000 0.446 423 F N 3.228 123.230 119.950 0.088 0.000 2.091 423 F HA -0.095 4.432 4.527 0.001 0.000 0.299 423 F C 3.069 178.929 175.800 0.101 0.000 1.103 423 F CA 1.328 59.385 58.000 0.095 0.000 1.228 423 F CB -1.614 37.424 39.000 0.064 0.000 0.984 423 F HN 0.403 nan 8.300 nan 0.000 0.477 424 T N -2.311 112.414 114.554 0.285 0.000 2.788 424 T HA -0.178 4.172 4.350 0.001 0.000 0.268 424 T C 2.220 177.033 174.700 0.188 0.000 1.044 424 T CA 1.424 63.639 62.100 0.191 0.000 1.139 424 T CB -1.026 67.925 68.868 0.139 0.000 0.867 424 T HN 0.330 nan 8.240 nan 0.000 0.454 425 S N 2.525 118.340 115.700 0.191 0.000 2.382 425 S HA 0.070 4.540 4.470 0.001 0.000 0.228 425 S C 2.464 177.199 174.600 0.224 0.000 1.027 425 S CA 0.882 59.191 58.200 0.183 0.000 0.991 425 S CB -0.982 62.306 63.200 0.147 0.000 0.823 425 S HN 0.746 nan 8.310 nan 0.000 0.469 426 A N 1.811 124.772 122.820 0.236 0.000 1.865 426 A HA 0.015 4.336 4.320 0.001 0.000 0.217 426 A C 2.222 180.057 177.584 0.418 0.000 1.191 426 A CA 1.685 53.892 52.037 0.284 0.000 0.623 426 A CB -0.971 18.193 19.000 0.274 0.000 0.826 426 A HN 0.551 nan 8.150 nan 0.000 0.444 427 I N 0.006 120.790 120.570 0.356 0.000 2.493 427 I HA -0.111 4.059 4.170 0.001 0.000 0.254 427 I C 2.330 178.641 176.117 0.323 0.000 1.160 427 I CA 1.583 63.092 61.300 0.348 0.000 1.445 427 I CB -0.243 37.846 38.000 0.149 0.000 1.086 427 I HN 0.220 nan 8.210 nan 0.000 0.433 428 S N -0.598 115.262 115.700 0.266 0.000 2.383 428 S HA -0.200 4.271 4.470 0.001 0.000 0.227 428 S C 1.919 176.670 174.600 0.253 0.000 1.026 428 S CA 1.254 59.586 58.200 0.220 0.000 0.981 428 S CB -0.562 62.747 63.200 0.181 0.000 0.818 428 S HN 0.629 nan 8.310 nan 0.000 0.472 429 Y N 0.848 121.255 120.300 0.179 0.000 2.220 429 Y HA -0.145 4.405 4.550 0.001 0.000 0.291 429 Y C 2.193 178.219 175.900 0.209 0.000 1.129 429 Y CA 1.241 59.437 58.100 0.161 0.000 1.161 429 Y CB -0.537 37.995 38.460 0.120 0.000 0.997 429 Y HN 0.278 nan 8.280 nan 0.000 0.522 430 Y N 1.230 121.656 120.300 0.210 0.000 2.145 430 Y HA -0.233 4.318 4.550 0.001 0.000 0.286 430 Y C 1.935 177.888 175.900 0.089 0.000 1.145 430 Y CA 2.313 60.502 58.100 0.149 0.000 1.148 430 Y CB -0.538 38.129 38.460 0.345 0.000 0.981 430 Y HN 0.152 nan 8.280 nan 0.000 0.507 431 D N -1.177 119.292 120.400 0.114 0.000 2.277 431 D HA -0.079 4.561 4.640 0.001 0.000 0.208 431 D C 2.211 178.477 176.300 -0.056 0.000 0.962 431 D CA 1.123 55.122 54.000 -0.002 0.000 0.865 431 D CB 0.014 40.873 40.800 0.098 0.000 0.939 431 D HN 0.291 nan 8.370 nan 0.000 0.510 432 S N -0.320 115.358 115.700 -0.038 0.000 2.356 432 S HA -0.109 4.361 4.470 0.001 0.000 0.219 432 S C 1.764 176.291 174.600 -0.122 0.000 1.036 432 S CA 0.123 58.290 58.200 -0.055 0.000 0.965 432 S CB -0.233 62.965 63.200 -0.003 0.000 0.864 432 S HN 0.272 nan 8.310 nan 0.000 0.471 433 Y N 3.340 123.420 120.300 -0.366 0.000 2.256 433 Y HA -0.142 4.408 4.550 0.001 0.000 0.288 433 Y C 2.226 177.949 175.900 -0.295 0.000 1.155 433 Y CA 1.678 59.538 58.100 -0.399 0.000 1.203 433 Y CB -0.114 37.967 38.460 -0.630 0.000 0.980 433 Y HN 0.209 nan 8.280 nan 0.000 0.530 434 R N -0.656 119.651 120.500 -0.322 0.000 2.317 434 R HA 0.193 4.534 4.340 0.001 0.000 0.208 434 R C 0.089 176.241 176.300 -0.246 0.000 0.914 434 R CA 0.401 56.295 56.100 -0.344 0.000 1.060 434 R CB -0.310 29.744 30.300 -0.409 0.000 1.015 434 R HN 0.068 nan 8.270 nan 0.000 0.498 435 S N 2.131 117.711 115.700 -0.200 0.000 2.422 435 S HA 0.012 4.482 4.470 0.001 0.000 0.283 435 S C 0.625 175.142 174.600 -0.139 0.000 1.163 435 S CA -0.411 57.708 58.200 -0.136 0.000 1.054 435 S CB 1.500 64.645 63.200 -0.092 0.000 0.967 435 S HN 0.404 nan 8.310 nan 0.000 0.499 436 E N 3.536 123.665 120.200 -0.119 0.000 2.058 436 E HA -0.174 4.177 4.350 0.001 0.000 0.194 436 E C -0.128 176.424 176.600 -0.080 0.000 0.997 436 E CA 1.008 57.346 56.400 -0.104 0.000 0.801 436 E CB 0.192 29.843 29.700 -0.082 0.000 0.746 436 E HN 0.532 nan 8.360 nan 0.000 0.450 437 N N 0.340 119.001 118.700 -0.065 0.000 2.314 437 N HA 0.316 5.056 4.740 0.001 0.000 0.294 437 N C -0.956 174.527 175.510 -0.044 0.000 1.029 437 N CA -0.310 52.711 53.050 -0.049 0.000 0.845 437 N CB 1.982 40.445 38.487 -0.041 0.000 1.321 437 N HN 0.021 nan 8.380 nan 0.000 0.481 438 L N 1.713 122.914 121.223 -0.036 0.000 2.304 438 L HA 0.549 4.890 4.340 0.001 0.000 0.268 438 L C -1.295 175.563 176.870 -0.020 0.000 1.010 438 L CA -1.689 53.136 54.840 -0.026 0.000 0.813 438 L CB 1.825 43.873 42.059 -0.019 0.000 1.315 438 L HN 0.359 nan 8.230 nan 0.000 0.445 439 P HA 0.047 nan 4.420 nan 0.000 0.258 439 P C 0.552 177.842 177.300 -0.016 0.000 1.403 439 P CA 0.116 63.205 63.100 -0.018 0.000 0.826 439 P CB 0.297 31.988 31.700 -0.014 0.000 1.414 440 A N 1.715 124.530 122.820 -0.009 0.000 2.172 440 A HA -0.169 4.151 4.320 0.001 0.000 0.216 440 A C 2.100 179.678 177.584 -0.011 0.000 1.154 440 A CA 1.132 53.168 52.037 -0.002 0.000 0.701 440 A CB -0.982 18.024 19.000 0.009 0.000 0.789 440 A HN 0.341 nan 8.150 nan 0.000 0.465 441 N N 0.605 119.289 118.700 -0.026 0.000 2.104 441 N HA -0.187 4.553 4.740 0.001 0.000 0.190 441 N C 1.518 176.987 175.510 -0.068 0.000 1.024 441 N CA 1.748 54.768 53.050 -0.050 0.000 0.853 441 N CB -0.759 37.691 38.487 -0.062 0.000 1.008 441 N HN 0.391 nan 8.380 nan 0.000 0.424 442 L N 0.842 122.029 121.223 -0.060 0.000 2.056 442 L HA 0.120 4.461 4.340 0.001 0.000 0.207 442 L C 2.350 179.178 176.870 -0.071 0.000 1.078 442 L CA 1.019 55.813 54.840 -0.076 0.000 0.749 442 L CB -0.512 41.509 42.059 -0.064 0.000 0.901 442 L HN 0.096 nan 8.230 nan 0.000 0.433 443 I N -0.813 119.736 120.570 -0.035 0.000 2.163 443 I HA -0.312 3.859 4.170 0.001 0.000 0.243 443 I C 2.501 178.606 176.117 -0.020 0.000 1.085 443 I CA 1.078 62.372 61.300 -0.011 0.000 1.347 443 I CB -0.423 37.586 38.000 0.015 0.000 1.044 443 I HN 0.368 nan 8.210 nan 0.000 0.408 444 Q N 0.491 120.286 119.800 -0.009 0.000 2.096 444 Q HA -0.200 4.140 4.340 0.001 0.000 0.204 444 Q C 2.449 178.458 176.000 0.015 0.000 0.982 444 Q CA 1.886 57.707 55.803 0.031 0.000 0.850 444 Q CB -0.461 28.313 28.738 0.060 0.000 0.901 444 Q HN 0.598 nan 8.270 nan 0.000 0.422 445 A N 1.058 123.833 122.820 -0.074 0.000 1.865 445 A HA -0.263 4.058 4.320 0.001 0.000 0.217 445 A C 2.128 179.538 177.584 -0.290 0.000 1.191 445 A CA 1.747 53.707 52.037 -0.128 0.000 0.623 445 A CB -0.648 18.238 19.000 -0.191 0.000 0.826 445 A HN 0.402 nan 8.150 nan 0.000 0.444 446 Q N -0.739 118.908 119.800 -0.255 0.000 2.045 446 Q HA -0.220 4.120 4.340 0.001 0.000 0.206 446 Q C 2.395 178.144 176.000 -0.418 0.000 0.991 446 Q CA 1.950 57.606 55.803 -0.244 0.000 0.851 446 Q CB -0.236 28.473 28.738 -0.049 0.000 0.911 446 Q HN 0.617 nan 8.270 nan 0.000 0.418 447 R N 0.280 120.545 120.500 -0.391 0.000 2.105 447 R HA -0.175 4.166 4.340 0.001 0.000 0.239 447 R C 1.884 177.974 176.300 -0.350 0.000 1.135 447 R CA 1.584 57.337 56.100 -0.579 0.000 0.967 447 R CB -0.226 30.015 30.300 -0.099 0.000 0.861 447 R HN 0.296 nan 8.270 nan 0.000 0.442 448 D N -0.339 120.047 120.400 -0.024 0.000 2.117 448 D HA -0.182 4.458 4.640 0.001 0.000 0.198 448 D C 1.673 178.088 176.300 0.191 0.000 0.982 448 D CA 0.859 55.022 54.000 0.271 0.000 0.828 448 D CB -0.057 41.167 40.800 0.706 0.000 0.967 448 D HN 0.154 nan 8.370 nan 0.000 0.464 449 Y N 0.376 120.414 120.300 -0.436 0.000 2.053 449 Y HA -0.283 4.268 4.550 0.001 0.000 0.277 449 Y C 1.976 177.844 175.900 -0.054 0.000 1.159 449 Y CA 2.533 60.208 58.100 -0.708 0.000 1.125 449 Y CB -0.784 37.069 38.460 -1.012 0.000 0.969 449 Y HN 0.161 nan 8.280 nan 0.000 0.492 450 F N -1.507 118.607 119.950 0.273 0.000 2.416 450 F HA 0.336 4.864 4.527 0.001 0.000 0.296 450 F C 1.989 177.869 175.800 0.132 0.000 1.099 450 F CA 1.005 59.158 58.000 0.256 0.000 1.427 450 F CB -0.982 38.160 39.000 0.236 0.000 1.079 450 F HN -0.050 nan 8.300 nan 0.000 0.536 451 G N -0.990 107.729 108.800 -0.136 0.000 2.944 451 G HA2 0.376 4.336 3.960 0.001 0.000 0.223 451 G HA3 0.376 4.336 3.960 0.001 0.000 0.223 451 G C 1.001 175.584 174.900 -0.528 0.000 1.071 451 G CA 0.050 44.955 45.100 -0.325 0.000 0.806 451 G HN 0.905 nan 8.290 nan 0.000 0.538 452 A N 0.571 123.272 122.820 -0.197 0.000 2.822 452 A HA -0.217 4.103 4.320 0.001 0.000 0.287 452 A C 1.217 178.683 177.584 -0.197 0.000 1.479 452 A CA 1.074 53.043 52.037 -0.113 0.000 0.779 452 A CB -2.490 16.349 19.000 -0.268 0.000 1.022 452 A HN 0.518 nan 8.150 nan 0.000 0.532 453 H N 0.305 119.409 119.070 0.058 0.000 2.559 453 H HA 0.119 4.675 4.556 0.001 0.000 0.273 453 H C 1.482 176.855 175.328 0.075 0.000 1.000 453 H CA 2.382 58.455 56.048 0.042 0.000 1.195 453 H CB -0.333 29.442 29.762 0.022 0.000 1.368 453 H HN 1.722 nan 8.280 nan 0.000 0.592 454 T N -1.236 113.459 114.554 0.235 0.000 0.541 454 T HA -0.191 4.159 4.350 0.001 0.000 0.774 454 T C -0.664 174.180 174.700 0.240 0.000 0.992 454 T CA 0.473 62.661 62.100 0.147 0.000 4.077 454 T CB -1.326 67.553 68.868 0.017 0.000 2.303 454 T HN 0.579 nan 8.240 nan 0.000 0.398 455 Y N -1.479 118.958 120.300 0.228 0.000 2.689 455 Y HA 0.852 5.403 4.550 0.001 0.000 0.333 455 Y C -0.504 175.539 175.900 0.237 0.000 1.208 455 Y CA -1.406 56.813 58.100 0.199 0.000 1.055 455 Y CB 0.857 39.433 38.460 0.193 0.000 1.304 455 Y HN 0.971 nan 8.280 nan 0.000 0.455 456 E N 1.401 121.859 120.200 0.429 0.000 2.250 456 E HA 0.586 4.936 4.350 0.001 0.000 0.269 456 E C -0.916 175.929 176.600 0.408 0.000 1.018 456 E CA -1.124 55.499 56.400 0.373 0.000 0.873 456 E CB 1.519 31.349 29.700 0.218 0.000 1.134 456 E HN 0.537 nan 8.360 nan 0.000 0.403 457 R N -0.395 120.284 120.500 0.298 0.000 2.782 457 R HA 0.253 4.594 4.340 0.001 0.000 0.258 457 R C 0.941 177.281 176.300 0.067 0.000 1.055 457 R CA -0.254 55.915 56.100 0.115 0.000 1.065 457 R CB 1.058 31.292 30.300 -0.109 0.000 1.172 457 R HN 0.638 nan 8.270 nan 0.000 0.510 458 T N -3.344 111.218 114.554 0.013 0.000 3.065 458 T HA -0.045 4.305 4.350 0.001 0.000 0.252 458 T C 0.776 175.477 174.700 0.001 0.000 1.099 458 T CA 0.676 62.780 62.100 0.007 0.000 1.063 458 T CB -0.001 68.859 68.868 -0.013 0.000 0.948 458 T HN 0.689 nan 8.240 nan 0.000 0.506 459 D N 1.092 121.485 120.400 -0.012 0.000 2.441 459 D HA 0.139 4.779 4.640 0.001 0.000 0.210 459 D C 0.418 176.722 176.300 0.006 0.000 1.102 459 D CA -0.181 53.811 54.000 -0.013 0.000 0.840 459 D CB 0.227 41.006 40.800 -0.034 0.000 0.990 459 D HN 0.671 nan 8.370 nan 0.000 0.505 460 K N -0.838 119.580 120.400 0.031 0.000 2.597 460 K HA 0.687 5.007 4.320 0.001 0.000 0.282 460 K C -1.142 175.554 176.600 0.160 0.000 0.975 460 K CA -1.066 55.271 56.287 0.082 0.000 0.867 460 K CB 1.551 34.105 32.500 0.090 0.000 1.465 460 K HN -0.072 nan 8.250 nan 0.000 0.417 461 A N 0.752 123.663 122.820 0.151 0.000 2.406 461 A HA 0.703 5.023 4.320 0.001 0.000 0.243 461 A C 0.675 178.398 177.584 0.231 0.000 1.082 461 A CA 0.882 53.010 52.037 0.152 0.000 0.786 461 A CB -0.499 18.550 19.000 0.081 0.000 1.029 461 A HN 1.478 nan 8.150 nan 0.000 0.495 462 G N -0.860 108.020 108.800 0.133 0.000 2.381 462 G HA2 0.276 4.236 3.960 0.001 0.000 0.672 462 G HA3 0.276 4.236 3.960 0.001 0.000 0.672 462 G C -1.030 173.754 174.900 -0.193 0.000 1.324 462 G CA -0.473 44.558 45.100 -0.116 0.000 0.975 462 G HN 0.962 nan 8.290 nan 0.000 0.593 463 I N 0.051 120.294 120.570 -0.544 0.000 2.433 463 I HA 0.712 4.883 4.170 0.001 0.000 0.292 463 I C -0.636 175.019 176.117 -0.771 0.000 1.001 463 I CA -0.679 60.385 61.300 -0.392 0.000 1.119 463 I CB 1.570 39.436 38.000 -0.223 0.000 1.289 463 I HN 0.370 nan 8.210 nan 0.000 0.438 464 F N 3.484 123.256 119.950 -0.296 0.000 2.588 464 F HA 0.452 4.979 4.527 0.001 0.000 0.310 464 F C -0.342 175.109 175.800 -0.582 0.000 1.082 464 F CA -0.784 56.970 58.000 -0.410 0.000 0.929 464 F CB 1.696 40.440 39.000 -0.428 0.000 1.254 464 F HN 0.380 nan 8.300 nan 0.000 0.455 465 H N 1.304 120.255 119.070 -0.198 0.000 2.744 465 H HA 0.369 4.926 4.556 0.001 0.000 0.339 465 H C -1.831 173.515 175.328 0.030 0.000 1.004 465 H CA -0.941 55.058 56.048 -0.082 0.000 1.257 465 H CB 1.022 30.768 29.762 -0.026 0.000 1.552 465 H HN 0.581 nan 8.280 nan 0.000 0.522 466 Y N 3.188 123.226 120.300 -0.437 0.000 2.301 466 Y HA 0.211 4.761 4.550 0.001 0.000 0.325 466 Y C 0.002 175.287 175.900 -1.025 0.000 1.203 466 Y CA -0.285 57.399 58.100 -0.693 0.000 1.255 466 Y CB 0.945 38.810 38.460 -0.991 0.000 1.232 466 Y HN 0.700 nan 8.280 nan 0.000 0.501 467 D N 4.550 124.340 120.400 -1.017 0.000 2.441 467 D HA 0.049 4.689 4.640 0.001 0.000 0.221 467 D C -0.509 175.504 176.300 -0.478 0.000 1.156 467 D CA -0.176 53.467 54.000 -0.595 0.000 0.896 467 D CB -0.039 40.516 40.800 -0.408 0.000 1.028 467 D HN 0.611 nan 8.370 nan 0.000 0.509 468 W N 2.803 123.972 121.300 -0.220 0.000 3.180 468 W HA 0.083 4.743 4.660 0.000 0.000 0.254 468 W C 0.058 176.211 176.519 -0.609 0.000 1.318 468 W CA -0.372 56.748 57.345 -0.376 0.000 1.608 468 W CB -0.053 28.926 29.460 -0.802 0.000 1.124 468 W HN 0.359 nan 8.180 nan 0.000 0.694 469 Y N -0.315 120.045 120.300 0.101 0.000 3.326 469 Y HA 0.868 5.418 4.550 0.001 0.000 0.306 469 Y C 1.065 176.986 175.900 0.034 0.000 1.652 469 Y CA -0.094 58.044 58.100 0.064 0.000 0.810 469 Y CB -0.081 38.395 38.460 0.025 0.000 1.269 469 Y HN -0.321 nan 8.280 nan 0.000 0.744 470 T N 0.000 114.682 114.554 0.213 0.000 3.816 470 T HA 0.000 4.350 4.350 0.001 0.000 0.228 470 T CA 0.000 nan 62.100 nan 0.000 1.349 470 T CB 0.000 nan 68.868 nan 0.000 0.612 470 T HN 0.000 nan 8.240 nan 0.000 0.658