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 1iay_1_A DATA FIRST_RESID 11 DATA SEQUENCE ILSKLATNEX XXXXSPYFDG WKAYDSDPFH PLKNPNGVIQ MGLAENQLCL DATA SEQUENCE DLIEDWIKRN PKGSICSXXX XSFKAIANFQ DYHGLPEFRK AIAKFMEKTR DATA SEQUENCE GGRVRFDPER VVMAGGATGA NETIIFCLAD PGDAFLVPSP YYPAFNRDLR DATA SEQUENCE WRTGVQLIPI HCESSNNFKI TSKAVKEAYE NAQKSNIKVK GLILTNPSNP DATA SEQUENCE LGTTLDKDTL KSVLSFTNQH NIHLVCDEIY AATVFDTPQF VSIAEILDEQ DATA SEQUENCE EMTYCNKDLV HIVYSLSKDM GLPGFRVGII YSFNDDVVNC ARKMSSFGLV DATA SEQUENCE STQTQYFLAA MLSDEKFVDN FLRESAMRLG KRHKHFTNGL EVVGIKCLKN DATA SEQUENCE NAGLFCWMDL RPLLRESTFD SEMSLWRVII NDVKLNVSPG SSFECQEPGW DATA SEQUENCE FRVCFANMDD GTVDIALARI RRFVGVEK 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.122 176.117 0.008 0.000 1.063 11 I CA 0.000 61.305 61.300 0.008 0.000 1.566 11 I CB 0.000 38.003 38.000 0.005 0.000 1.214 12 L N 1.686 122.916 121.223 0.012 0.000 2.464 12 L HA 0.447 4.789 4.340 0.004 0.000 0.224 12 L C 1.356 178.233 176.870 0.011 0.000 1.219 12 L CA -0.055 54.792 54.840 0.013 0.000 0.831 12 L CB 0.723 42.795 42.059 0.021 0.000 1.284 12 L HN 0.790 nan 8.230 nan 0.000 0.522 13 S N -0.921 114.784 115.700 0.009 0.000 2.681 13 S HA 0.201 4.673 4.470 0.004 0.000 0.270 13 S C 0.688 175.301 174.600 0.022 0.000 1.209 13 S CA -0.648 57.554 58.200 0.005 0.000 0.988 13 S CB 1.415 64.606 63.200 -0.015 0.000 1.006 13 S HN 0.493 nan 8.310 nan 0.000 0.558 14 K N 0.215 120.627 120.400 0.021 0.000 2.032 14 K HA 0.012 4.334 4.320 0.004 0.000 0.209 14 K C 1.968 178.614 176.600 0.077 0.000 1.048 14 K CA 1.753 58.065 56.287 0.042 0.000 0.927 14 K CB -0.739 31.782 32.500 0.036 0.000 0.712 14 K HN 0.547 nan 8.250 nan 0.000 0.441 15 L N 0.209 121.474 121.223 0.069 0.000 1.990 15 L HA -0.280 4.062 4.340 0.004 0.000 0.213 15 L C 2.543 179.546 176.870 0.221 0.000 1.072 15 L CA 1.570 56.501 54.840 0.152 0.000 0.755 15 L CB -0.733 41.293 42.059 -0.055 0.000 0.889 15 L HN 0.277 nan 8.230 nan 0.000 0.432 16 A N -0.953 121.941 122.820 0.123 0.000 1.855 16 A HA -0.220 4.102 4.320 0.004 0.000 0.215 16 A C 2.320 179.964 177.584 0.100 0.000 1.191 16 A CA 2.162 54.273 52.037 0.123 0.000 0.613 16 A CB -0.996 18.045 19.000 0.068 0.000 0.829 16 A HN 0.353 nan 8.150 nan 0.000 0.442 17 T N -0.298 114.298 114.554 0.071 0.000 3.228 17 T HA -0.030 4.323 4.350 0.004 0.000 0.261 17 T C 0.557 175.290 174.700 0.056 0.000 1.171 17 T CA 1.238 63.370 62.100 0.053 0.000 1.056 17 T CB -0.750 68.141 68.868 0.038 0.000 0.938 17 T HN 0.456 nan 8.240 nan 0.000 0.539 18 N N 0.764 119.512 118.700 0.080 0.000 2.170 18 N HA 0.239 4.981 4.740 0.004 0.000 0.222 18 N C -0.065 175.472 175.510 0.045 0.000 1.218 18 N CA -0.126 52.963 53.050 0.066 0.000 0.889 18 N CB 0.990 39.527 38.487 0.084 0.000 1.083 18 N HN 0.577 nan 8.380 nan 0.000 0.520 26 P HA 0.254 nan 4.420 nan 0.000 0.242 26 P C 0.383 177.565 177.300 -0.198 0.000 1.176 26 P CA 0.361 63.388 63.100 -0.122 0.000 0.859 26 P CB 0.036 31.570 31.700 -0.275 0.000 1.010 27 Y N -1.022 119.086 120.300 -0.321 0.000 2.490 27 Y HA 0.208 4.760 4.550 0.004 0.000 0.281 27 Y C 1.176 176.872 175.900 -0.341 0.000 1.174 27 Y CA 0.261 58.098 58.100 -0.438 0.000 1.295 27 Y CB -0.578 37.448 38.460 -0.724 0.000 1.062 27 Y HN -0.180 nan 8.280 nan 0.000 0.522 28 F N -1.062 119.036 119.950 0.246 0.000 2.641 28 F HA 0.117 4.646 4.527 0.004 0.000 0.302 28 F C 1.475 177.463 175.800 0.314 0.000 1.098 28 F CA -0.518 57.616 58.000 0.223 0.000 1.318 28 F CB -0.051 38.972 39.000 0.039 0.000 1.035 28 F HN -0.004 nan 8.300 nan 0.000 0.551 29 D N 0.518 121.196 120.400 0.463 0.000 2.144 29 D HA -0.129 4.513 4.640 0.004 0.000 0.199 29 D C 2.471 178.881 176.300 0.183 0.000 0.984 29 D CA 1.524 55.682 54.000 0.263 0.000 0.834 29 D CB -0.398 40.471 40.800 0.115 0.000 0.955 29 D HN 0.381 nan 8.370 nan 0.000 0.465 30 G N 0.630 109.617 108.800 0.311 0.000 2.414 30 G HA2 -0.261 3.701 3.960 0.004 0.000 0.215 30 G HA3 -0.261 3.701 3.960 0.004 0.000 0.215 30 G C 1.474 176.595 174.900 0.368 0.000 1.188 30 G CA 0.512 45.760 45.100 0.246 0.000 0.783 30 G HN 0.298 nan 8.290 nan 0.000 0.537 31 W N 1.946 123.424 121.300 0.297 0.000 2.342 31 W HA -0.056 4.607 4.660 0.005 0.000 0.297 31 W C 2.076 178.743 176.519 0.246 0.000 1.213 31 W CA 1.719 59.236 57.345 0.286 0.000 1.251 31 W CB -0.162 29.488 29.460 0.316 0.000 1.136 31 W HN 0.227 nan 8.180 nan 0.000 0.526 32 K N 0.144 120.872 120.400 0.546 0.000 2.062 32 K HA -0.058 4.264 4.320 0.004 0.000 0.205 32 K C 2.420 179.113 176.600 0.156 0.000 1.051 32 K CA 1.358 57.850 56.287 0.341 0.000 0.941 32 K CB -0.602 32.072 32.500 0.289 0.000 0.719 32 K HN 0.043 nan 8.250 nan 0.000 0.440 33 A N 1.069 123.970 122.820 0.134 0.000 1.940 33 A HA -0.231 4.091 4.320 0.004 0.000 0.219 33 A C 2.081 179.709 177.584 0.073 0.000 1.176 33 A CA 1.501 53.574 52.037 0.060 0.000 0.631 33 A CB -0.693 18.310 19.000 0.005 0.000 0.814 33 A HN 0.446 nan 8.150 nan 0.000 0.446 34 Y N 1.061 121.345 120.300 -0.026 0.000 2.130 34 Y HA -0.148 4.405 4.550 0.004 0.000 0.287 34 Y C 1.913 177.763 175.900 -0.083 0.000 1.124 34 Y CA 1.729 59.793 58.100 -0.060 0.000 1.118 34 Y CB -0.417 37.982 38.460 -0.103 0.000 0.994 34 Y HN 0.334 nan 8.280 nan 0.000 0.497 35 D N -0.423 119.768 120.400 -0.349 0.000 2.172 35 D HA -0.238 4.405 4.640 0.004 0.000 0.196 35 D C 2.363 178.500 176.300 -0.271 0.000 0.999 35 D CA 1.732 55.488 54.000 -0.407 0.000 0.856 35 D CB -0.479 40.214 40.800 -0.179 0.000 0.934 35 D HN 0.430 nan 8.370 nan 0.000 0.453 36 S N 0.013 115.626 115.700 -0.146 0.000 2.345 36 S HA -0.182 4.290 4.470 0.004 0.000 0.220 36 S C 0.830 175.365 174.600 -0.107 0.000 1.031 36 S CA 1.216 59.362 58.200 -0.090 0.000 0.996 36 S CB 0.137 63.318 63.200 -0.032 0.000 0.882 36 S HN 0.024 nan 8.310 nan 0.000 0.445 37 D N 1.689 122.025 120.400 -0.106 0.000 2.795 37 D HA 0.382 5.025 4.640 0.004 0.000 0.335 37 D C -2.812 173.444 176.300 -0.074 0.000 1.262 37 D CA -2.384 51.576 54.000 -0.067 0.000 0.885 37 D CB 1.210 42.002 40.800 -0.013 0.000 1.047 37 D HN 0.243 nan 8.370 nan 0.000 0.500 38 P HA 0.080 nan 4.420 nan 0.000 0.271 38 P C -0.078 177.264 177.300 0.070 0.000 1.233 38 P CA -0.480 62.456 63.100 -0.274 0.000 0.764 38 P CB 0.223 31.584 31.700 -0.564 0.000 0.825 39 F N 5.403 125.448 119.950 0.158 0.000 2.572 39 F HA 0.180 4.710 4.527 0.004 0.000 0.370 39 F C 0.023 175.921 175.800 0.162 0.000 1.103 39 F CA 0.621 58.707 58.000 0.143 0.000 1.286 39 F CB 0.236 39.316 39.000 0.134 0.000 1.105 39 F HN 0.488 nan 8.300 nan 0.000 0.583 40 H N 6.978 125.377 119.070 -1.118 0.000 3.026 40 H HA 0.276 4.834 4.556 0.004 0.000 0.352 40 H C -2.241 172.451 175.328 -1.059 0.000 1.090 40 H CA -1.620 53.855 56.048 -0.956 0.000 1.268 40 H CB 2.110 31.639 29.762 -0.388 0.000 1.816 40 H HN 0.295 nan 8.280 nan 0.000 0.518 41 P HA -0.248 nan 4.420 nan 0.000 0.217 41 P C 1.104 178.371 177.300 -0.054 0.000 1.158 41 P CA 1.336 64.213 63.100 -0.371 0.000 0.887 41 P CB 0.748 32.294 31.700 -0.257 0.000 0.792 42 L N -0.962 120.375 121.223 0.190 0.000 2.265 42 L HA 0.137 4.479 4.340 0.004 0.000 0.195 42 L C 2.614 179.518 176.870 0.057 0.000 1.083 42 L CA 1.597 56.520 54.840 0.137 0.000 0.798 42 L CB -0.929 41.205 42.059 0.125 0.000 0.989 42 L HN -0.300 nan 8.230 nan 0.000 0.472 43 K N -0.268 120.105 120.400 -0.046 0.000 2.009 43 K HA -0.136 4.187 4.320 0.004 0.000 0.210 43 K C 0.469 177.004 176.600 -0.110 0.000 1.049 43 K CA 1.565 57.713 56.287 -0.231 0.000 0.929 43 K CB -0.220 31.933 32.500 -0.579 0.000 0.714 43 K HN 0.182 nan 8.250 nan 0.000 0.440 44 N N -0.310 118.347 118.700 -0.071 0.000 2.723 44 N HA 0.126 4.868 4.740 0.004 0.000 0.290 44 N C -2.302 173.195 175.510 -0.021 0.000 1.882 44 N CA -1.834 51.194 53.050 -0.037 0.000 0.851 44 N CB 0.851 39.320 38.487 -0.031 0.000 1.234 44 N HN -0.121 nan 8.380 nan 0.000 0.491 45 P HA -0.099 nan 4.420 nan 0.000 0.218 45 P C 0.057 177.564 177.300 0.345 0.000 1.146 45 P CA 1.180 64.368 63.100 0.147 0.000 0.813 45 P CB 0.411 32.180 31.700 0.115 0.000 0.778 46 N N -0.143 118.683 118.700 0.212 0.000 2.279 46 N HA 0.108 4.850 4.740 0.004 0.000 0.226 46 N C 1.104 176.728 175.510 0.190 0.000 1.126 46 N CA 0.092 53.248 53.050 0.176 0.000 0.846 46 N CB 0.441 38.982 38.487 0.090 0.000 1.050 46 N HN 0.140 nan 8.380 nan 0.000 0.502 47 G N 0.199 109.190 108.800 0.317 0.000 2.616 47 G HA2 0.298 4.260 3.960 0.004 0.000 0.268 47 G HA3 0.298 4.260 3.960 0.004 0.000 0.268 47 G C 0.126 175.206 174.900 0.300 0.000 1.213 47 G CA -0.323 44.945 45.100 0.279 0.000 0.926 47 G HN -0.014 nan 8.290 nan 0.000 0.523 48 V N 0.889 120.959 119.914 0.259 0.000 2.508 48 V HA 0.131 4.254 4.120 0.004 0.000 0.281 48 V C 0.563 176.845 176.094 0.313 0.000 1.041 48 V CA 0.014 62.454 62.300 0.234 0.000 1.016 48 V CB 0.851 32.828 31.823 0.256 0.000 0.984 48 V HN 0.401 nan 8.190 nan 0.000 0.478 49 I N 4.295 124.896 120.570 0.051 0.000 2.325 49 I HA 0.195 4.367 4.170 0.004 0.000 0.291 49 I C 0.375 176.385 176.117 -0.177 0.000 1.019 49 I CA -0.368 60.887 61.300 -0.074 0.000 1.302 49 I CB 1.308 39.153 38.000 -0.258 0.000 1.401 49 I HN 0.614 nan 8.210 nan 0.000 0.485 50 Q N 7.550 127.135 119.800 -0.357 0.000 2.300 50 Q HA 0.184 4.526 4.340 0.004 0.000 0.262 50 Q C -0.340 175.526 176.000 -0.224 0.000 1.109 50 Q CA 0.960 56.449 55.803 -0.524 0.000 0.905 50 Q CB 0.562 28.819 28.738 -0.801 0.000 1.280 50 Q HN 0.628 nan 8.270 nan 0.000 0.426 51 M N 2.874 122.397 119.600 -0.128 0.000 2.625 51 M HA 0.311 4.793 4.480 0.004 0.000 0.396 51 M C 0.745 177.069 176.300 0.040 0.000 1.174 51 M CA 0.011 55.285 55.300 -0.044 0.000 0.898 51 M CB 1.297 33.880 32.600 -0.028 0.000 1.450 51 M HN 0.721 nan 8.290 nan 0.000 0.522 52 G N 0.459 109.290 108.800 0.052 0.000 2.784 52 G HA2 0.323 4.285 3.960 0.004 0.000 0.208 52 G HA3 0.323 4.285 3.960 0.004 0.000 0.208 52 G C 0.378 175.379 174.900 0.168 0.000 1.120 52 G CA -0.084 45.109 45.100 0.154 0.000 0.774 52 G HN 0.225 nan 8.290 nan 0.000 0.528 53 L N 1.764 123.062 121.223 0.124 0.000 2.292 53 L HA 0.560 4.902 4.340 0.004 0.000 0.284 53 L C 0.474 177.439 176.870 0.157 0.000 1.065 53 L CA -0.838 54.102 54.840 0.167 0.000 0.806 53 L CB 1.940 44.086 42.059 0.144 0.000 1.175 53 L HN 0.058 nan 8.230 nan 0.000 0.431 54 A N 4.274 127.225 122.820 0.217 0.000 3.056 54 A HA 0.293 4.615 4.320 0.004 0.000 0.274 54 A C 0.110 177.821 177.584 0.211 0.000 1.661 54 A CA -0.426 51.775 52.037 0.274 0.000 1.363 54 A CB -0.604 18.659 19.000 0.437 0.000 1.139 54 A HN 0.758 nan 8.150 nan 0.000 0.598 55 E N 0.911 121.196 120.200 0.142 0.000 2.222 55 E HA 0.300 4.652 4.350 0.004 0.000 0.272 55 E C -0.834 175.823 176.600 0.095 0.000 0.982 55 E CA -1.035 55.429 56.400 0.107 0.000 0.842 55 E CB 1.239 30.990 29.700 0.084 0.000 1.144 55 E HN 0.371 nan 8.360 nan 0.000 0.397 56 N N 1.544 120.295 118.700 0.086 0.000 2.518 56 N HA 0.090 4.832 4.740 0.004 0.000 0.254 56 N C -0.662 174.898 175.510 0.084 0.000 0.979 56 N CA -0.022 53.081 53.050 0.089 0.000 0.930 56 N CB 1.112 39.660 38.487 0.102 0.000 1.152 56 N HN 0.489 nan 8.380 nan 0.000 0.505 57 Q N 2.586 122.433 119.800 0.078 0.000 2.140 57 Q HA 0.278 4.620 4.340 0.004 0.000 0.227 57 Q C 0.924 176.969 176.000 0.074 0.000 0.798 57 Q CA 0.018 55.867 55.803 0.077 0.000 0.987 57 Q CB 0.928 29.705 28.738 0.065 0.000 1.161 57 Q HN 0.531 nan 8.270 nan 0.000 0.480 58 L N 0.668 121.927 121.223 0.060 0.000 2.675 58 L HA -0.021 4.322 4.340 0.004 0.000 0.238 58 L C 1.519 178.404 176.870 0.025 0.000 1.155 58 L CA 0.388 55.249 54.840 0.036 0.000 0.881 58 L CB -0.326 41.743 42.059 0.017 0.000 1.008 58 L HN 0.463 nan 8.230 nan 0.000 0.443 59 C N -5.142 114.200 119.300 0.070 0.000 3.919 59 C HA 0.228 4.690 4.460 0.004 0.000 0.422 59 C C 2.099 177.244 174.990 0.258 0.000 1.533 59 C CA -0.589 58.497 59.018 0.113 0.000 2.014 59 C CB -0.468 27.298 27.740 0.043 0.000 2.967 59 C HN 0.310 nan 8.230 nan 0.000 0.692 60 L N 3.350 124.696 121.223 0.206 0.000 2.151 60 L HA -0.211 4.131 4.340 0.004 0.000 0.215 60 L C 2.672 179.666 176.870 0.207 0.000 1.084 60 L CA 2.617 57.575 54.840 0.196 0.000 0.764 60 L CB -0.725 41.408 42.059 0.124 0.000 0.891 60 L HN 0.608 nan 8.230 nan 0.000 0.435 61 D N 0.357 120.864 120.400 0.178 0.000 2.218 61 D HA -0.204 4.438 4.640 0.004 0.000 0.204 61 D C 2.099 178.539 176.300 0.234 0.000 0.976 61 D CA 1.116 55.218 54.000 0.169 0.000 0.853 61 D CB -0.411 40.464 40.800 0.124 0.000 0.939 61 D HN 0.386 nan 8.370 nan 0.000 0.481 62 L N -0.040 121.362 121.223 0.299 0.000 2.109 62 L HA 0.004 4.347 4.340 0.004 0.000 0.207 62 L C 2.750 179.971 176.870 0.585 0.000 1.086 62 L CA 0.644 55.735 54.840 0.418 0.000 0.760 62 L CB -0.219 42.111 42.059 0.451 0.000 0.910 62 L HN -0.054 nan 8.230 nan 0.000 0.437 63 I N -0.714 120.147 120.570 0.484 0.000 2.480 63 I HA -0.161 4.012 4.170 0.004 0.000 0.251 63 I C 2.381 178.712 176.117 0.357 0.000 1.124 63 I CA 0.827 62.373 61.300 0.409 0.000 1.444 63 I CB -0.154 38.005 38.000 0.265 0.000 1.098 63 I HN 0.239 nan 8.210 nan 0.000 0.428 64 E N 1.086 121.453 120.200 0.278 0.000 2.038 64 E HA -0.269 4.083 4.350 0.004 0.000 0.195 64 E C 1.636 178.369 176.600 0.222 0.000 1.000 64 E CA 1.878 58.407 56.400 0.216 0.000 0.803 64 E CB -0.107 29.688 29.700 0.158 0.000 0.750 64 E HN 0.404 nan 8.360 nan 0.000 0.448 65 D N -0.082 120.461 120.400 0.237 0.000 2.137 65 D HA -0.220 4.422 4.640 0.004 0.000 0.189 65 D C 1.342 177.765 176.300 0.205 0.000 0.998 65 D CA 1.489 55.614 54.000 0.209 0.000 0.839 65 D CB -0.325 40.620 40.800 0.242 0.000 0.962 65 D HN 0.242 nan 8.370 nan 0.000 0.446 66 W N 1.182 122.555 121.300 0.123 0.000 2.290 66 W HA -0.262 4.400 4.660 0.004 0.000 0.318 66 W C 2.031 178.543 176.519 -0.013 0.000 1.248 66 W CA 1.691 59.030 57.345 -0.011 0.000 1.263 66 W CB -0.453 28.793 29.460 -0.357 0.000 1.147 66 W HN 0.043 nan 8.180 nan 0.000 0.494 67 I N 0.420 121.148 120.570 0.263 0.000 2.264 67 I HA -0.369 3.803 4.170 0.004 0.000 0.248 67 I C 2.337 178.422 176.117 -0.053 0.000 1.111 67 I CA 1.801 63.201 61.300 0.167 0.000 1.382 67 I CB -0.663 37.520 38.000 0.305 0.000 1.060 67 I HN 0.038 nan 8.210 nan 0.000 0.418 68 K N 0.838 121.222 120.400 -0.026 0.000 1.984 68 K HA -0.122 4.201 4.320 0.004 0.000 0.209 68 K C 2.114 178.645 176.600 -0.116 0.000 1.046 68 K CA 1.331 57.592 56.287 -0.044 0.000 0.934 68 K CB -0.231 32.268 32.500 -0.001 0.000 0.717 68 K HN 0.217 nan 8.250 nan 0.000 0.438 69 R N 0.819 121.222 120.500 -0.161 0.000 2.328 69 R HA 0.030 4.373 4.340 0.004 0.000 0.207 69 R C 0.004 176.117 176.300 -0.312 0.000 1.056 69 R CA 0.505 56.489 56.100 -0.192 0.000 1.016 69 R CB -0.059 30.147 30.300 -0.157 0.000 0.872 69 R HN 0.190 nan 8.270 nan 0.000 0.471 70 N N 0.922 119.341 118.700 -0.469 0.000 2.790 70 N HA 0.108 4.851 4.740 0.004 0.000 0.256 70 N C -2.428 172.881 175.510 -0.335 0.000 1.409 70 N CA -0.969 51.741 53.050 -0.567 0.000 0.799 70 N CB 1.742 39.444 38.487 -1.309 0.000 1.170 70 N HN 0.024 nan 8.380 nan 0.000 0.507 71 P HA 0.169 nan 4.420 nan 0.000 0.249 71 P C 0.236 177.533 177.300 -0.005 0.000 1.593 71 P CA 0.217 63.281 63.100 -0.061 0.000 0.896 71 P CB 0.234 31.905 31.700 -0.048 0.000 1.581 72 K N -0.709 119.695 120.400 0.006 0.000 2.533 72 K HA 0.205 4.528 4.320 0.004 0.000 0.202 72 K C 1.177 177.916 176.600 0.231 0.000 1.096 72 K CA 0.004 56.349 56.287 0.096 0.000 1.056 72 K CB 0.894 33.428 32.500 0.058 0.000 0.890 72 K HN 0.067 nan 8.250 nan 0.000 0.552 73 G N 1.358 110.326 108.800 0.280 0.000 3.518 73 G HA2 0.072 4.034 3.960 0.004 0.000 0.273 73 G HA3 0.072 4.034 3.960 0.004 0.000 0.273 73 G C -0.049 175.253 174.900 0.671 0.000 1.199 73 G CA 0.002 45.385 45.100 0.470 0.000 0.899 73 G HN 0.179 nan 8.290 nan 0.000 0.533 74 S N -0.897 115.106 115.700 0.506 0.000 2.595 74 S HA 0.406 4.879 4.470 0.004 0.000 0.270 74 S C 0.156 174.778 174.600 0.035 0.000 1.145 74 S CA -0.491 57.881 58.200 0.288 0.000 0.825 74 S CB 0.657 63.983 63.200 0.209 0.000 1.107 74 S HN 1.390 nan 8.310 nan 0.000 0.461 75 I N -0.997 119.542 120.570 -0.050 0.000 3.704 75 I HA -0.274 3.899 4.170 0.004 0.000 0.126 75 I C 0.879 176.984 176.117 -0.020 0.000 1.017 75 I CA 0.454 61.764 61.300 0.016 0.000 2.740 75 I CB -2.465 35.534 38.000 -0.002 0.000 1.302 75 I HN 2.332 nan 8.210 nan 0.000 0.342 76 C N 3.178 122.397 119.300 -0.135 0.000 4.274 76 C HA -0.194 4.269 4.460 0.004 0.000 0.297 76 C C 1.319 176.309 174.990 0.001 0.000 1.446 76 C CA 0.842 59.816 59.018 -0.072 0.000 2.016 76 C CB -3.263 24.518 27.740 0.069 0.000 1.273 76 C HN 2.827 nan 8.230 nan 0.000 0.782 83 F N 3.237 123.127 119.950 -0.100 0.000 2.113 83 F HA 0.208 4.738 4.527 0.004 0.000 0.297 83 F C 2.108 177.869 175.800 -0.064 0.000 1.103 83 F CA 1.700 59.629 58.000 -0.119 0.000 1.248 83 F CB -0.181 38.761 39.000 -0.096 0.000 0.999 83 F HN 0.187 nan 8.300 nan 0.000 0.475 84 K N 0.405 120.817 120.400 0.019 0.000 2.020 84 K HA -0.236 4.086 4.320 0.004 0.000 0.212 84 K C 2.318 178.844 176.600 -0.123 0.000 1.050 84 K CA 1.518 57.772 56.287 -0.055 0.000 0.929 84 K CB -0.773 31.755 32.500 0.046 0.000 0.714 84 K HN 0.377 nan 8.250 nan 0.000 0.443 85 A N 2.198 124.986 122.820 -0.054 0.000 1.859 85 A HA -0.207 4.116 4.320 0.004 0.000 0.217 85 A C 2.248 179.832 177.584 -0.001 0.000 1.198 85 A CA 2.069 54.108 52.037 0.005 0.000 0.629 85 A CB -0.940 18.089 19.000 0.048 0.000 0.830 85 A HN 0.505 nan 8.150 nan 0.000 0.446 86 I N -2.786 117.718 120.570 -0.110 0.000 2.394 86 I HA -0.054 4.119 4.170 0.004 0.000 0.251 86 I C 2.365 178.371 176.117 -0.184 0.000 1.136 86 I CA 1.550 62.771 61.300 -0.131 0.000 1.425 86 I CB -0.496 37.375 38.000 -0.214 0.000 1.079 86 I HN 0.207 nan 8.210 nan 0.000 0.425 87 A N 1.326 123.910 122.820 -0.394 0.000 1.897 87 A HA -0.184 4.138 4.320 0.004 0.000 0.215 87 A C 2.257 179.734 177.584 -0.178 0.000 1.181 87 A CA 1.842 53.630 52.037 -0.416 0.000 0.620 87 A CB -0.980 17.558 19.000 -0.770 0.000 0.821 87 A HN 0.633 nan 8.150 nan 0.000 0.443 88 N N -1.774 116.855 118.700 -0.119 0.000 2.446 88 N HA 0.005 4.748 4.740 0.004 0.000 0.179 88 N C -0.309 175.190 175.510 -0.019 0.000 1.054 88 N CA -0.269 52.745 53.050 -0.059 0.000 0.905 88 N CB 0.034 38.490 38.487 -0.051 0.000 0.973 88 N HN 0.374 nan 8.380 nan 0.000 0.448 89 F N 2.733 122.624 119.950 -0.099 0.000 2.571 89 F HA -0.038 4.492 4.527 0.004 0.000 0.384 89 F C 1.174 176.936 175.800 -0.063 0.000 1.058 89 F CA 0.587 58.548 58.000 -0.065 0.000 1.200 89 F CB 0.521 39.492 39.000 -0.049 0.000 1.077 89 F HN 0.138 nan 8.300 nan 0.000 0.558 90 Q N 3.129 122.689 119.800 -0.401 0.000 2.057 90 Q HA 0.148 4.490 4.340 0.004 0.000 0.216 90 Q C -0.500 175.334 176.000 -0.276 0.000 0.788 90 Q CA -0.542 55.142 55.803 -0.199 0.000 1.053 90 Q CB 0.118 28.766 28.738 -0.150 0.000 1.210 90 Q HN 0.550 nan 8.270 nan 0.000 0.455 91 D N 1.296 121.366 120.400 -0.552 0.000 2.382 91 D HA -0.059 4.583 4.640 0.004 0.000 0.245 91 D C 0.299 176.678 176.300 0.131 0.000 1.120 91 D CA -0.192 53.649 54.000 -0.265 0.000 0.890 91 D CB 0.765 41.409 40.800 -0.259 0.000 1.201 91 D HN 0.307 nan 8.370 nan 0.000 0.433 92 Y N 2.214 122.519 120.300 0.008 0.000 2.502 92 Y HA 0.146 4.698 4.550 0.004 0.000 0.295 92 Y C 0.914 176.800 175.900 -0.024 0.000 1.193 92 Y CA 0.048 58.134 58.100 -0.023 0.000 1.295 92 Y CB -1.237 37.150 38.460 -0.122 0.000 1.059 92 Y HN 0.400 nan 8.280 nan 0.000 0.514 93 H N 0.355 119.685 119.070 0.433 0.000 2.553 93 H HA 0.410 4.969 4.556 0.004 0.000 0.265 93 H C 1.630 177.142 175.328 0.306 0.000 0.964 93 H CA 0.163 56.387 56.048 0.294 0.000 1.156 93 H CB 0.096 30.013 29.762 0.259 0.000 1.411 93 H HN 0.537 nan 8.280 nan 0.000 0.558 94 G N 0.480 109.574 108.800 0.490 0.000 2.855 94 G HA2 -0.282 3.681 3.960 0.004 0.000 0.352 94 G HA3 -0.282 3.681 3.960 0.004 0.000 0.352 94 G C -0.434 174.591 174.900 0.208 0.000 1.415 94 G CA -0.513 44.805 45.100 0.364 0.000 0.871 94 G HN 0.258 nan 8.290 nan 0.000 0.543 95 L N 1.395 122.516 121.223 -0.169 0.000 2.513 95 L HA 0.098 4.441 4.340 0.004 0.000 0.272 95 L C -0.726 176.169 176.870 0.041 0.000 1.187 95 L CA -0.972 53.691 54.840 -0.295 0.000 0.895 95 L CB 0.821 42.713 42.059 -0.278 0.000 1.147 95 L HN 0.397 nan 8.230 nan 0.000 0.483 96 P HA -0.218 nan 4.420 nan 0.000 0.216 96 P C 0.907 178.231 177.300 0.039 0.000 1.157 96 P CA 1.322 64.462 63.100 0.067 0.000 0.880 96 P CB 0.273 32.006 31.700 0.054 0.000 0.791 97 E N -1.977 118.230 120.200 0.012 0.000 2.268 97 E HA -0.133 4.219 4.350 0.004 0.000 0.195 97 E C 1.649 178.241 176.600 -0.013 0.000 0.995 97 E CA 0.602 56.992 56.400 -0.015 0.000 0.836 97 E CB -1.115 28.558 29.700 -0.045 0.000 0.763 97 E HN 0.310 nan 8.360 nan 0.000 0.491 98 F N 1.416 121.312 119.950 -0.091 0.000 2.113 98 F HA -0.030 4.500 4.527 0.004 0.000 0.297 98 F C 2.016 177.794 175.800 -0.036 0.000 1.103 98 F CA 1.361 59.312 58.000 -0.082 0.000 1.248 98 F CB -0.036 38.917 39.000 -0.078 0.000 0.999 98 F HN -0.190 nan 8.300 nan 0.000 0.475 99 R N 0.242 120.607 120.500 -0.226 0.000 2.083 99 R HA -0.198 4.145 4.340 0.004 0.000 0.237 99 R C 2.296 178.466 176.300 -0.216 0.000 1.137 99 R CA 1.735 57.682 56.100 -0.256 0.000 0.951 99 R CB -0.424 29.877 30.300 0.002 0.000 0.851 99 R HN 0.089 nan 8.270 nan 0.000 0.434 100 K N 0.749 121.078 120.400 -0.118 0.000 2.032 100 K HA -0.094 4.229 4.320 0.004 0.000 0.209 100 K C 1.750 178.285 176.600 -0.109 0.000 1.048 100 K CA 1.930 58.170 56.287 -0.078 0.000 0.927 100 K CB -0.469 32.007 32.500 -0.040 0.000 0.712 100 K HN 0.190 nan 8.250 nan 0.000 0.441 101 A N 0.455 123.182 122.820 -0.154 0.000 2.015 101 A HA -0.056 4.267 4.320 0.004 0.000 0.219 101 A C 2.054 179.542 177.584 -0.160 0.000 1.163 101 A CA 1.274 53.225 52.037 -0.144 0.000 0.646 101 A CB -0.452 18.447 19.000 -0.169 0.000 0.806 101 A HN 0.295 nan 8.150 nan 0.000 0.448 102 I N -0.408 119.984 120.570 -0.297 0.000 2.406 102 I HA -0.142 4.031 4.170 0.004 0.000 0.249 102 I C 2.867 178.875 176.117 -0.181 0.000 1.122 102 I CA 1.319 62.460 61.300 -0.265 0.000 1.431 102 I CB -1.399 36.307 38.000 -0.489 0.000 1.087 102 I HN 0.356 nan 8.210 nan 0.000 0.424 103 A N 0.842 123.555 122.820 -0.179 0.000 1.930 103 A HA -0.184 4.139 4.320 0.004 0.000 0.217 103 A C 2.357 179.879 177.584 -0.104 0.000 1.175 103 A CA 1.370 53.314 52.037 -0.156 0.000 0.627 103 A CB -0.353 18.629 19.000 -0.030 0.000 0.815 103 A HN 0.315 nan 8.150 nan 0.000 0.443 104 K N -1.764 118.608 120.400 -0.047 0.000 2.116 104 K HA -0.001 4.321 4.320 0.004 0.000 0.203 104 K C 1.715 178.304 176.600 -0.018 0.000 1.052 104 K CA 1.109 57.389 56.287 -0.010 0.000 0.952 104 K CB -0.263 32.240 32.500 0.006 0.000 0.729 104 K HN 0.468 nan 8.250 nan 0.000 0.446 105 F N 1.872 121.734 119.950 -0.147 0.000 2.202 105 F HA -0.172 4.357 4.527 0.004 0.000 0.301 105 F C 1.970 177.655 175.800 -0.192 0.000 1.082 105 F CA 1.426 59.347 58.000 -0.132 0.000 1.313 105 F CB -0.034 38.895 39.000 -0.119 0.000 1.024 105 F HN -0.052 nan 8.300 nan 0.000 0.495 106 M N -0.259 119.134 119.600 -0.345 0.000 2.123 106 M HA -0.155 4.327 4.480 0.004 0.000 0.263 106 M C 2.073 178.138 176.300 -0.391 0.000 1.069 106 M CA 1.710 56.609 55.300 -0.669 0.000 1.133 106 M CB -0.493 31.376 32.600 -1.218 0.000 1.356 106 M HN 0.110 nan 8.290 nan 0.000 0.415 107 E N 0.232 120.379 120.200 -0.088 0.000 2.058 107 E HA -0.211 4.141 4.350 0.004 0.000 0.194 107 E C 2.064 178.655 176.600 -0.014 0.000 0.997 107 E CA 0.989 57.483 56.400 0.157 0.000 0.801 107 E CB -0.152 29.631 29.700 0.139 0.000 0.746 107 E HN 0.241 nan 8.360 nan 0.000 0.450 108 K N 0.366 120.699 120.400 -0.111 0.000 2.074 108 K HA -0.122 4.201 4.320 0.004 0.000 0.209 108 K C 2.234 178.719 176.600 -0.191 0.000 1.048 108 K CA 1.505 57.705 56.287 -0.145 0.000 0.926 108 K CB -0.654 31.740 32.500 -0.176 0.000 0.713 108 K HN 0.176 nan 8.250 nan 0.000 0.444 109 T N 0.555 114.916 114.554 -0.322 0.000 2.915 109 T HA -0.075 4.278 4.350 0.004 0.000 0.269 109 T C 1.299 175.969 174.700 -0.050 0.000 1.071 109 T CA 0.968 62.908 62.100 -0.267 0.000 1.132 109 T CB -0.043 68.580 68.868 -0.408 0.000 0.878 109 T HN 0.195 nan 8.240 nan 0.000 0.479 110 R N 0.737 121.236 120.500 -0.001 0.000 2.893 110 R HA 0.388 4.731 4.340 0.004 0.000 0.317 110 R C 1.191 177.503 176.300 0.021 0.000 1.239 110 R CA -0.060 56.087 56.100 0.079 0.000 1.128 110 R CB 0.061 30.434 30.300 0.122 0.000 1.377 110 R HN 0.317 nan 8.270 nan 0.000 0.583 111 G N 0.727 109.524 108.800 -0.004 0.000 2.341 111 G HA2 -0.313 3.649 3.960 0.004 0.000 0.292 111 G HA3 -0.313 3.649 3.960 0.004 0.000 0.292 111 G C 0.842 175.732 174.900 -0.016 0.000 1.021 111 G CA 0.255 45.346 45.100 -0.015 0.000 0.905 111 G HN 0.632 nan 8.290 nan 0.000 0.508 112 G N -0.955 107.838 108.800 -0.013 0.000 2.337 112 G HA2 -0.387 3.575 3.960 0.004 0.000 0.290 112 G HA3 -0.387 3.575 3.960 0.004 0.000 0.290 112 G C 1.141 176.029 174.900 -0.019 0.000 1.003 112 G CA 1.194 46.289 45.100 -0.008 0.000 0.825 112 G HN 0.898 nan 8.290 nan 0.000 0.509 113 R N -1.017 119.469 120.500 -0.023 0.000 2.310 113 R HA 0.298 4.641 4.340 0.004 0.000 0.202 113 R C 0.914 177.175 176.300 -0.066 0.000 0.933 113 R CA 1.104 57.178 56.100 -0.043 0.000 1.054 113 R CB 0.264 30.536 30.300 -0.048 0.000 0.985 113 R HN 0.750 nan 8.270 nan 0.000 0.489 114 V N -2.827 117.042 119.914 -0.076 0.000 3.188 114 V HA 0.510 4.632 4.120 0.004 0.000 0.305 114 V C -0.984 174.994 176.094 -0.194 0.000 1.232 114 V CA -1.462 60.741 62.300 -0.162 0.000 1.043 114 V CB 2.445 34.119 31.823 -0.248 0.000 1.068 114 V HN -0.059 nan 8.190 nan 0.000 0.439 115 R N 0.970 121.302 120.500 -0.279 0.000 2.514 115 R HA 0.708 5.050 4.340 0.004 0.000 0.301 115 R C -1.873 174.172 176.300 -0.425 0.000 0.962 115 R CA -0.346 55.624 56.100 -0.217 0.000 0.882 115 R CB 2.190 32.431 30.300 -0.100 0.000 1.143 115 R HN 0.692 nan 8.270 nan 0.000 0.452 116 F N 0.848 120.732 119.950 -0.109 0.000 2.449 116 F HA 0.144 4.673 4.527 0.004 0.000 0.342 116 F C 0.265 176.044 175.800 -0.035 0.000 1.127 116 F CA -0.919 56.966 58.000 -0.192 0.000 0.975 116 F CB 1.601 40.329 39.000 -0.454 0.000 1.146 116 F HN 0.454 nan 8.300 nan 0.000 0.444 117 D N 6.163 126.710 120.400 0.245 0.000 2.336 117 D HA 0.175 4.818 4.640 0.004 0.000 0.249 117 D C -1.505 174.935 176.300 0.234 0.000 1.213 117 D CA -2.062 52.050 54.000 0.187 0.000 0.870 117 D CB 1.167 42.052 40.800 0.141 0.000 1.076 117 D HN 0.163 nan 8.370 nan 0.000 0.483 118 P HA -0.167 nan 4.420 nan 0.000 0.229 118 P C 0.809 178.180 177.300 0.118 0.000 1.150 118 P CA 0.683 63.849 63.100 0.110 0.000 0.765 118 P CB 0.334 32.058 31.700 0.039 0.000 0.783 119 E N 0.240 120.508 120.200 0.113 0.000 2.427 119 E HA -0.066 4.286 4.350 0.004 0.000 0.196 119 E C 1.780 178.438 176.600 0.097 0.000 1.028 119 E CA 0.269 56.729 56.400 0.099 0.000 0.864 119 E CB 0.127 29.870 29.700 0.071 0.000 0.813 119 E HN 0.270 nan 8.360 nan 0.000 0.514 120 R N -0.218 120.339 120.500 0.096 0.000 2.254 120 R HA 0.117 4.459 4.340 0.004 0.000 0.195 120 R C 0.541 176.870 176.300 0.049 0.000 0.957 120 R CA -0.059 56.034 56.100 -0.012 0.000 1.024 120 R CB 0.605 30.754 30.300 -0.253 0.000 0.952 120 R HN -0.079 nan 8.270 nan 0.000 0.484 121 V N 2.942 122.966 119.914 0.183 0.000 2.452 121 V HA -0.019 4.104 4.120 0.004 0.000 0.286 121 V C 0.204 176.376 176.094 0.130 0.000 0.995 121 V CA 0.556 62.967 62.300 0.183 0.000 1.116 121 V CB 0.650 32.541 31.823 0.113 0.000 0.954 121 V HN -0.089 nan 8.190 nan 0.000 0.473 122 V N 7.069 127.048 119.914 0.108 0.000 2.581 122 V HA 0.475 4.597 4.120 0.004 0.000 0.303 122 V C 0.271 176.435 176.094 0.116 0.000 1.041 122 V CA -0.720 61.623 62.300 0.071 0.000 0.907 122 V CB 1.916 33.739 31.823 -0.000 0.000 0.994 122 V HN 0.770 nan 8.190 nan 0.000 0.442 123 M N 2.793 122.464 119.600 0.119 0.000 2.267 123 M HA 0.791 5.273 4.480 0.004 0.000 0.303 123 M C -0.027 176.333 176.300 0.100 0.000 1.164 123 M CA -0.168 55.220 55.300 0.146 0.000 1.060 123 M CB 1.683 34.377 32.600 0.156 0.000 1.455 123 M HN 0.845 nan 8.290 nan 0.000 0.483 124 A N -0.060 122.825 122.820 0.108 0.000 2.567 124 A HA 0.575 4.897 4.320 0.004 0.000 0.291 124 A C -0.275 177.367 177.584 0.096 0.000 1.048 124 A CA -0.498 51.598 52.037 0.099 0.000 0.661 124 A CB 0.323 19.380 19.000 0.094 0.000 1.288 124 A HN 0.925 nan 8.150 nan 0.000 0.424 125 G N 0.883 109.743 108.800 0.099 0.000 2.843 125 G HA2 0.564 4.526 3.960 0.004 0.000 0.275 125 G HA3 0.564 4.526 3.960 0.004 0.000 0.275 125 G C 1.072 176.023 174.900 0.084 0.000 0.709 125 G CA 1.350 46.506 45.100 0.093 0.000 2.089 125 G HN 2.404 nan 8.290 nan 0.000 0.571 126 G N 0.494 109.339 108.800 0.074 0.000 2.749 126 G HA2 0.139 4.102 3.960 0.004 0.000 0.242 126 G HA3 0.139 4.102 3.960 0.004 0.000 0.242 126 G C 1.276 176.202 174.900 0.043 0.000 1.364 126 G CA -0.003 45.128 45.100 0.050 0.000 0.888 126 G HN 1.472 nan 8.290 nan 0.000 0.566 127 A N -1.681 121.143 122.820 0.006 0.000 2.070 127 A HA 0.154 4.476 4.320 0.004 0.000 0.220 127 A C 2.580 180.207 177.584 0.073 0.000 1.159 127 A CA 2.797 54.842 52.037 0.013 0.000 0.656 127 A CB -0.712 18.249 19.000 -0.065 0.000 0.800 127 A HN 1.327 nan 8.150 nan 0.000 0.453 128 T N -0.387 114.223 114.554 0.093 0.000 2.708 128 T HA -0.054 4.299 4.350 0.004 0.000 0.266 128 T C 1.915 176.683 174.700 0.113 0.000 1.037 128 T CA 1.594 63.779 62.100 0.142 0.000 1.146 128 T CB -0.427 68.529 68.868 0.146 0.000 0.865 128 T HN 0.573 nan 8.240 nan 0.000 0.435 129 G N 0.411 109.270 108.800 0.097 0.000 2.511 129 G HA2 0.152 4.114 3.960 0.004 0.000 0.217 129 G HA3 0.152 4.114 3.960 0.004 0.000 0.217 129 G C 1.728 176.676 174.900 0.080 0.000 1.133 129 G CA 0.787 45.943 45.100 0.093 0.000 0.792 129 G HN 0.549 nan 8.290 nan 0.000 0.539 130 A N 1.639 124.504 122.820 0.075 0.000 1.855 130 A HA -0.075 4.248 4.320 0.004 0.000 0.215 130 A C 2.285 179.889 177.584 0.033 0.000 1.191 130 A CA 1.686 53.762 52.037 0.065 0.000 0.613 130 A CB -0.479 18.567 19.000 0.077 0.000 0.829 130 A HN 0.307 nan 8.150 nan 0.000 0.442 131 N N -0.348 118.376 118.700 0.041 0.000 2.120 131 N HA -0.171 4.571 4.740 0.004 0.000 0.188 131 N C 1.782 177.221 175.510 -0.118 0.000 1.024 131 N CA 1.539 54.578 53.050 -0.019 0.000 0.852 131 N CB -0.360 38.172 38.487 0.076 0.000 1.003 131 N HN 0.764 nan 8.380 nan 0.000 0.424 132 E N 0.287 120.437 120.200 -0.084 0.000 2.072 132 E HA -0.101 4.251 4.350 0.004 0.000 0.191 132 E C 1.390 177.847 176.600 -0.237 0.000 0.985 132 E CA 1.095 57.365 56.400 -0.217 0.000 0.801 132 E CB 0.082 29.694 29.700 -0.147 0.000 0.750 132 E HN 0.160 nan 8.360 nan 0.000 0.452 133 T N 1.227 115.778 114.554 -0.006 0.000 2.708 133 T HA -0.169 4.184 4.350 0.004 0.000 0.266 133 T C 1.825 176.551 174.700 0.043 0.000 1.037 133 T CA 1.248 63.435 62.100 0.146 0.000 1.146 133 T CB -0.250 68.699 68.868 0.135 0.000 0.865 133 T HN 0.160 nan 8.240 nan 0.000 0.435 134 I N 1.199 121.729 120.570 -0.066 0.000 2.286 134 I HA -0.113 4.059 4.170 0.004 0.000 0.248 134 I C 1.793 177.777 176.117 -0.221 0.000 1.115 134 I CA 1.064 62.275 61.300 -0.148 0.000 1.392 134 I CB -0.286 37.618 38.000 -0.159 0.000 1.065 134 I HN 0.167 nan 8.210 nan 0.000 0.418 135 I N -0.256 120.126 120.570 -0.313 0.000 2.226 135 I HA -0.278 3.895 4.170 0.004 0.000 0.245 135 I C 2.426 178.412 176.117 -0.217 0.000 1.100 135 I CA 1.488 62.533 61.300 -0.424 0.000 1.374 135 I CB -1.487 36.177 38.000 -0.561 0.000 1.057 135 I HN 0.144 nan 8.210 nan 0.000 0.413 136 F N 1.134 120.992 119.950 -0.153 0.000 2.161 136 F HA -0.240 4.288 4.527 0.003 0.000 0.300 136 F C 2.767 178.511 175.800 -0.093 0.000 1.089 136 F CA 1.163 59.100 58.000 -0.105 0.000 1.282 136 F CB -1.154 37.795 39.000 -0.084 0.000 1.010 136 F HN 0.129 nan 8.300 nan 0.000 0.485 137 C N -0.571 118.773 119.300 0.075 0.000 2.468 137 C HA 0.029 4.491 4.460 0.004 0.000 0.277 137 C C 2.404 177.350 174.990 -0.073 0.000 1.400 137 C CA 0.473 59.480 59.018 -0.018 0.000 1.770 137 C CB -1.135 26.555 27.740 -0.084 0.000 1.905 137 C HN 0.346 nan 8.230 nan 0.000 0.519 138 L N -0.510 120.655 121.223 -0.098 0.000 2.766 138 L HA 0.400 4.743 4.340 0.004 0.000 0.242 138 L C 0.615 177.555 176.870 0.116 0.000 1.136 138 L CA 0.171 54.964 54.840 -0.077 0.000 0.933 138 L CB -0.146 41.801 42.059 -0.187 0.000 1.241 138 L HN 0.173 nan 8.230 nan 0.000 0.522 139 A N -0.453 122.419 122.820 0.088 0.000 2.547 139 A HA 0.580 4.903 4.320 0.004 0.000 0.297 139 A C -1.524 176.115 177.584 0.091 0.000 1.056 139 A CA -0.690 51.424 52.037 0.128 0.000 0.688 139 A CB 1.442 20.551 19.000 0.182 0.000 1.282 139 A HN -0.057 nan 8.150 nan 0.000 0.400 140 D N 1.691 122.147 120.400 0.093 0.000 2.340 140 D HA 0.456 5.099 4.640 0.004 0.000 0.251 140 D C -2.591 173.750 176.300 0.068 0.000 1.080 140 D CA -1.252 52.796 54.000 0.079 0.000 0.971 140 D CB 0.625 41.465 40.800 0.067 0.000 1.137 140 D HN 0.156 nan 8.370 nan 0.000 0.475 141 P HA 0.067 nan 4.420 nan 0.000 0.260 141 P C 0.794 178.121 177.300 0.045 0.000 1.185 141 P CA 0.977 64.106 63.100 0.048 0.000 0.763 141 P CB 0.341 32.068 31.700 0.044 0.000 0.776 142 G N 2.470 111.296 108.800 0.044 0.000 2.284 142 G HA2 -0.180 3.782 3.960 0.004 0.000 0.216 142 G HA3 -0.180 3.782 3.960 0.004 0.000 0.216 142 G C 0.252 175.186 174.900 0.057 0.000 1.009 142 G CA -0.328 44.799 45.100 0.045 0.000 0.625 142 G HN 0.461 nan 8.290 nan 0.000 0.501 143 D N 1.095 121.539 120.400 0.072 0.000 2.349 143 D HA 0.591 5.233 4.640 0.004 0.000 0.239 143 D C 0.780 177.152 176.300 0.119 0.000 1.315 143 D CA 1.126 55.186 54.000 0.099 0.000 0.937 143 D CB 0.895 41.773 40.800 0.130 0.000 1.133 143 D HN 0.990 nan 8.370 nan 0.000 0.489 144 A N -0.383 122.530 122.820 0.155 0.000 2.527 144 A HA 0.681 5.004 4.320 0.004 0.000 0.293 144 A C -1.541 176.212 177.584 0.282 0.000 1.117 144 A CA -0.551 51.591 52.037 0.175 0.000 0.723 144 A CB 1.372 20.434 19.000 0.104 0.000 1.313 144 A HN 0.331 nan 8.150 nan 0.000 0.411 145 F N 0.023 119.978 119.950 0.007 0.000 2.565 145 F HA 0.595 5.124 4.527 0.003 0.000 0.313 145 F C -0.361 175.439 175.800 -0.000 0.000 1.091 145 F CA -0.528 57.472 58.000 0.001 0.000 0.915 145 F CB 2.017 40.977 39.000 -0.068 0.000 1.208 145 F HN 0.485 nan 8.300 nan 0.000 0.453 146 L N 4.078 125.332 121.223 0.051 0.000 2.357 146 L HA 0.781 5.123 4.340 0.004 0.000 0.273 146 L C -0.682 176.221 176.870 0.056 0.000 1.080 146 L CA -1.022 53.856 54.840 0.063 0.000 0.803 146 L CB 1.552 43.650 42.059 0.066 0.000 1.174 146 L HN 0.396 nan 8.230 nan 0.000 0.443 147 V N 4.072 124.006 119.914 0.034 0.000 2.737 147 V HA 0.416 4.538 4.120 0.004 0.000 0.298 147 V C -2.554 173.595 176.094 0.093 0.000 1.163 147 V CA -1.594 60.711 62.300 0.009 0.000 0.925 147 V CB 2.691 34.400 31.823 -0.190 0.000 1.037 147 V HN 0.484 nan 8.190 nan 0.000 0.433 148 P HA 0.269 nan 4.420 nan 0.000 0.268 148 P C -0.834 176.624 177.300 0.264 0.000 1.205 148 P CA 0.309 63.494 63.100 0.142 0.000 0.771 148 P CB 0.645 32.395 31.700 0.084 0.000 0.858 149 S N 2.917 118.751 115.700 0.224 0.000 2.537 149 S HA 0.693 5.165 4.470 0.004 0.000 0.301 149 S C -2.649 171.964 174.600 0.022 0.000 1.092 149 S CA -1.920 56.397 58.200 0.194 0.000 1.048 149 S CB 1.346 64.656 63.200 0.183 0.000 1.053 149 S HN 0.211 nan 8.310 nan 0.000 0.501 150 P HA 0.304 nan 4.420 nan 0.000 0.274 150 P C -1.285 175.949 177.300 -0.110 0.000 1.237 150 P CA -0.148 62.813 63.100 -0.232 0.000 0.793 150 P CB 0.138 31.577 31.700 -0.434 0.000 0.977 151 Y N -1.170 119.133 120.300 0.004 0.000 2.644 151 Y HA 0.445 4.997 4.550 0.004 0.000 0.338 151 Y C -0.724 175.215 175.900 0.064 0.000 1.119 151 Y CA -2.140 55.993 58.100 0.055 0.000 1.060 151 Y CB 0.086 38.675 38.460 0.215 0.000 1.294 151 Y HN 0.270 nan 8.280 nan 0.000 0.472 152 Y N 6.202 126.489 120.300 -0.020 0.000 2.834 152 Y HA 0.162 4.714 4.550 0.004 0.000 0.355 152 Y C -1.462 174.331 175.900 -0.179 0.000 1.287 152 Y CA -2.390 55.553 58.100 -0.262 0.000 1.647 152 Y CB 0.398 38.410 38.460 -0.747 0.000 1.221 152 Y HN 0.525 nan 8.280 nan 0.000 0.519 153 P HA -0.334 nan 4.420 nan 0.000 0.217 153 P C 1.135 178.135 177.300 -0.500 0.000 1.151 153 P CA 2.422 65.209 63.100 -0.521 0.000 0.849 153 P CB -0.047 31.208 31.700 -0.741 0.000 0.787 154 A N -1.185 121.050 122.820 -0.975 0.000 2.125 154 A HA -0.166 4.156 4.320 0.004 0.000 0.219 154 A C 1.944 179.437 177.584 -0.152 0.000 1.156 154 A CA 0.879 52.539 52.037 -0.627 0.000 0.671 154 A CB -1.548 16.992 19.000 -0.766 0.000 0.794 154 A HN -0.001 nan 8.150 nan 0.000 0.459 155 F N 1.224 121.077 119.950 -0.161 0.000 2.120 155 F HA -0.197 4.332 4.527 0.005 0.000 0.300 155 F C 2.024 177.807 175.800 -0.028 0.000 1.095 155 F CA 1.218 59.231 58.000 0.021 0.000 1.249 155 F CB -0.975 38.048 39.000 0.038 0.000 0.995 155 F HN 0.299 nan 8.300 nan 0.000 0.480 156 N N -0.078 118.735 118.700 0.187 0.000 2.334 156 N HA -0.201 4.541 4.740 0.004 0.000 0.187 156 N C 2.038 177.565 175.510 0.029 0.000 1.016 156 N CA 0.986 54.086 53.050 0.083 0.000 0.879 156 N CB -0.293 38.218 38.487 0.039 0.000 0.965 156 N HN 0.404 nan 8.380 nan 0.000 0.438 157 R N 0.424 120.939 120.500 0.025 0.000 2.084 157 R HA 0.020 4.362 4.340 0.004 0.000 0.209 157 R C 0.839 177.220 176.300 0.134 0.000 1.173 157 R CA 0.395 56.517 56.100 0.038 0.000 1.053 157 R CB 0.127 30.397 30.300 -0.051 0.000 0.948 157 R HN -0.095 nan 8.270 nan 0.000 0.460 158 D N 1.310 121.790 120.400 0.132 0.000 2.133 158 D HA -0.177 4.465 4.640 0.004 0.000 0.195 158 D C 1.812 178.110 176.300 -0.004 0.000 0.997 158 D CA 1.370 55.446 54.000 0.127 0.000 0.840 158 D CB -0.023 40.927 40.800 0.250 0.000 0.947 158 D HN 0.324 nan 8.370 nan 0.000 0.452 159 L N -0.697 120.500 121.223 -0.044 0.000 2.529 159 L HA 0.196 4.539 4.340 0.004 0.000 0.223 159 L C 1.943 178.700 176.870 -0.189 0.000 1.113 159 L CA 0.294 55.008 54.840 -0.210 0.000 0.861 159 L CB 0.164 42.029 42.059 -0.323 0.000 1.012 159 L HN -0.095 nan 8.230 nan 0.000 0.461 160 R N -2.064 118.397 120.500 -0.064 0.000 2.306 160 R HA 0.016 4.359 4.340 0.004 0.000 0.183 160 R C 1.665 178.010 176.300 0.075 0.000 0.937 160 R CA -0.085 56.005 56.100 -0.018 0.000 1.118 160 R CB -0.760 29.553 30.300 0.022 0.000 1.224 160 R HN 0.032 nan 8.270 nan 0.000 0.597 161 W N 3.037 124.288 121.300 -0.083 0.000 2.288 161 W HA -0.278 4.384 4.660 0.003 0.000 0.346 161 W C 1.355 177.844 176.519 -0.050 0.000 1.402 161 W CA 1.949 59.260 57.345 -0.056 0.000 1.311 161 W CB -0.239 29.194 29.460 -0.045 0.000 1.100 161 W HN -0.019 nan 8.180 nan 0.000 0.468 162 R N -1.159 119.265 120.500 -0.128 0.000 2.362 162 R HA 0.086 4.428 4.340 0.004 0.000 0.227 162 R C 1.739 177.991 176.300 -0.080 0.000 0.905 162 R CA 1.064 57.031 56.100 -0.222 0.000 1.067 162 R CB -0.237 29.914 30.300 -0.249 0.000 1.078 162 R HN 0.320 nan 8.270 nan 0.000 0.516 163 T N -3.633 110.800 114.554 -0.200 0.000 3.037 163 T HA 0.148 4.500 4.350 0.004 0.000 0.251 163 T C 1.539 176.213 174.700 -0.043 0.000 1.079 163 T CA 0.544 62.507 62.100 -0.228 0.000 1.067 163 T CB 0.669 69.234 68.868 -0.507 0.000 0.948 163 T HN 0.277 nan 8.240 nan 0.000 0.496 164 G N 1.182 109.970 108.800 -0.019 0.000 2.166 164 G HA2 -0.241 3.722 3.960 0.004 0.000 0.260 164 G HA3 -0.241 3.722 3.960 0.004 0.000 0.260 164 G C 0.089 174.995 174.900 0.010 0.000 0.986 164 G CA 0.270 45.380 45.100 0.015 0.000 0.683 164 G HN 0.721 nan 8.290 nan 0.000 0.527 165 V N 1.830 121.728 119.914 -0.027 0.000 2.481 165 V HA 0.533 4.656 4.120 0.004 0.000 0.286 165 V C 0.677 176.768 176.094 -0.005 0.000 1.042 165 V CA -0.162 62.130 62.300 -0.015 0.000 0.928 165 V CB 1.635 33.416 31.823 -0.071 0.000 0.986 165 V HN 0.638 nan 8.190 nan 0.000 0.462 166 Q N 4.493 124.313 119.800 0.033 0.000 2.215 166 Q HA 0.769 5.112 4.340 0.004 0.000 0.256 166 Q C -1.313 174.717 176.000 0.050 0.000 0.972 166 Q CA -0.859 54.965 55.803 0.036 0.000 0.889 166 Q CB 2.007 30.771 28.738 0.044 0.000 1.281 166 Q HN 0.576 nan 8.270 nan 0.000 0.456 167 L N 2.304 123.547 121.223 0.034 0.000 2.307 167 L HA 0.535 4.877 4.340 0.004 0.000 0.284 167 L C -0.532 176.371 176.870 0.054 0.000 1.023 167 L CA -0.770 54.087 54.840 0.028 0.000 0.810 167 L CB 1.300 43.333 42.059 -0.043 0.000 1.231 167 L HN 0.600 nan 8.230 nan 0.000 0.423 168 I N 5.133 125.742 120.570 0.065 0.000 2.382 168 I HA 0.325 4.497 4.170 0.004 0.000 0.286 168 I C -2.154 174.016 176.117 0.089 0.000 1.002 168 I CA -1.960 59.387 61.300 0.077 0.000 1.135 168 I CB 2.106 40.151 38.000 0.076 0.000 1.288 168 I HN 0.335 nan 8.210 nan 0.000 0.448 169 P HA 0.240 nan 4.420 nan 0.000 0.276 169 P C -0.664 176.722 177.300 0.143 0.000 1.230 169 P CA -0.004 63.197 63.100 0.169 0.000 0.776 169 P CB 1.227 33.056 31.700 0.214 0.000 0.888 170 I N 3.707 124.359 120.570 0.137 0.000 2.307 170 I HA 0.149 4.322 4.170 0.004 0.000 0.289 170 I C 1.116 177.314 176.117 0.134 0.000 1.021 170 I CA -0.885 60.475 61.300 0.100 0.000 1.224 170 I CB 0.225 38.248 38.000 0.039 0.000 1.376 170 I HN 0.494 nan 8.210 nan 0.000 0.470 171 H N 6.478 125.590 119.070 0.070 0.000 2.928 171 H HA 0.179 4.737 4.556 0.004 0.000 0.338 171 H C -1.160 174.216 175.328 0.080 0.000 1.047 171 H CA -0.029 56.069 56.048 0.082 0.000 1.435 171 H CB 0.566 30.369 29.762 0.069 0.000 1.428 171 H HN 0.582 nan 8.280 nan 0.000 0.590 172 C N 6.287 125.408 119.300 -0.297 0.000 2.535 172 C HA 0.420 4.882 4.460 0.004 0.000 0.319 172 C C -0.513 174.443 174.990 -0.057 0.000 1.171 172 C CA -0.722 58.127 59.018 -0.281 0.000 1.394 172 C CB 0.689 28.466 27.740 0.062 0.000 1.990 172 C HN 1.005 nan 8.230 nan 0.000 0.466 173 E N 0.384 120.401 120.200 -0.305 0.000 2.378 173 E HA 0.501 4.854 4.350 0.004 0.000 0.265 173 E C 0.560 176.469 176.600 -1.152 0.000 0.932 173 E CA -0.361 55.813 56.400 -0.376 0.000 0.795 173 E CB 1.357 31.047 29.700 -0.017 0.000 1.296 173 E HN 0.500 nan 8.360 nan 0.000 0.438 174 S N 0.867 115.888 115.700 -1.132 0.000 2.442 174 S HA -0.166 4.306 4.470 0.004 0.000 0.236 174 S C 1.501 175.863 174.600 -0.397 0.000 1.007 174 S CA 1.315 58.931 58.200 -0.973 0.000 0.965 174 S CB -0.503 62.636 63.200 -0.103 0.000 0.773 174 S HN 0.451 nan 8.310 nan 0.000 0.504 175 S N 3.912 119.463 115.700 -0.247 0.000 2.414 175 S HA -0.164 4.308 4.470 0.004 0.000 0.225 175 S C 1.607 176.137 174.600 -0.116 0.000 1.041 175 S CA 1.654 59.785 58.200 -0.116 0.000 1.114 175 S CB -0.777 62.377 63.200 -0.076 0.000 1.064 175 S HN 0.951 nan 8.310 nan 0.000 0.420 176 N N 1.725 120.338 118.700 -0.144 0.000 2.441 176 N HA -0.016 4.727 4.740 0.004 0.000 0.225 176 N C -0.748 174.696 175.510 -0.110 0.000 1.208 176 N CA 0.155 53.144 53.050 -0.101 0.000 0.847 176 N CB -0.944 37.490 38.487 -0.088 0.000 1.121 176 N HN 0.250 nan 8.380 nan 0.000 0.479 177 N N 0.323 118.932 118.700 -0.152 0.000 2.721 177 N HA -0.241 4.502 4.740 0.004 0.000 0.249 177 N C -0.850 174.652 175.510 -0.014 0.000 1.072 177 N CA 0.927 53.928 53.050 -0.082 0.000 0.710 177 N CB -1.784 36.729 38.487 0.042 0.000 0.993 177 N HN 0.492 nan 8.380 nan 0.000 0.547 178 F N -2.361 117.520 119.950 -0.114 0.000 3.058 178 F HA -0.274 4.255 4.527 0.004 0.000 0.295 178 F C 0.878 176.593 175.800 -0.142 0.000 0.875 178 F CA 0.866 58.766 58.000 -0.166 0.000 1.150 178 F CB -1.713 37.139 39.000 -0.245 0.000 1.175 178 F HN 0.100 nan 8.300 nan 0.000 0.599 179 K N 0.306 120.699 120.400 -0.011 0.000 2.090 179 K HA 0.663 4.986 4.320 0.004 0.000 0.250 179 K C 0.515 177.087 176.600 -0.046 0.000 1.004 179 K CA -0.812 55.463 56.287 -0.021 0.000 0.919 179 K CB 1.141 33.623 32.500 -0.030 0.000 1.045 179 K HN 0.102 nan 8.250 nan 0.000 0.471 180 I N 1.946 122.492 120.570 -0.040 0.000 2.395 180 I HA 0.096 4.268 4.170 0.004 0.000 0.289 180 I C 0.372 176.447 176.117 -0.071 0.000 1.023 180 I CA -0.320 60.945 61.300 -0.058 0.000 1.350 180 I CB 1.190 39.163 38.000 -0.045 0.000 1.409 180 I HN 0.644 nan 8.210 nan 0.000 0.507 181 T N 0.514 115.015 114.554 -0.090 0.000 2.856 181 T HA 0.251 4.603 4.350 0.004 0.000 0.283 181 T C 0.755 175.386 174.700 -0.116 0.000 1.008 181 T CA -0.763 61.285 62.100 -0.085 0.000 0.997 181 T CB 1.849 70.674 68.868 -0.073 0.000 0.992 181 T HN 0.465 nan 8.240 nan 0.000 0.454 182 S N 1.016 116.650 115.700 -0.109 0.000 2.402 182 S HA -0.142 4.331 4.470 0.004 0.000 0.233 182 S C 1.894 176.407 174.600 -0.144 0.000 1.030 182 S CA 1.366 59.475 58.200 -0.150 0.000 1.003 182 S CB -0.365 62.790 63.200 -0.076 0.000 0.813 182 S HN 0.827 nan 8.310 nan 0.000 0.477 183 K N 1.370 121.722 120.400 -0.081 0.000 1.985 183 K HA -0.074 4.248 4.320 0.004 0.000 0.210 183 K C 2.258 178.826 176.600 -0.054 0.000 1.047 183 K CA 1.328 57.587 56.287 -0.047 0.000 0.932 183 K CB -0.411 32.078 32.500 -0.018 0.000 0.716 183 K HN 0.297 nan 8.250 nan 0.000 0.439 184 A N 0.717 123.502 122.820 -0.060 0.000 1.972 184 A HA -0.086 4.237 4.320 0.004 0.000 0.219 184 A C 2.189 179.723 177.584 -0.083 0.000 1.169 184 A CA 1.549 53.564 52.037 -0.037 0.000 0.635 184 A CB -0.436 18.531 19.000 -0.055 0.000 0.810 184 A HN 0.211 nan 8.150 nan 0.000 0.446 185 V N 0.018 119.810 119.914 -0.203 0.000 2.283 185 V HA -0.217 3.905 4.120 0.004 0.000 0.243 185 V C 2.307 178.170 176.094 -0.384 0.000 1.039 185 V CA 2.193 64.275 62.300 -0.364 0.000 1.016 185 V CB -0.669 30.755 31.823 -0.664 0.000 0.650 185 V HN 0.534 nan 8.190 nan 0.000 0.449 186 K N -0.108 120.062 120.400 -0.383 0.000 2.211 186 K HA -0.192 4.130 4.320 0.004 0.000 0.203 186 K C 2.085 178.742 176.600 0.094 0.000 1.050 186 K CA 1.272 57.522 56.287 -0.062 0.000 0.945 186 K CB -0.084 32.441 32.500 0.043 0.000 0.732 186 K HN 0.383 nan 8.250 nan 0.000 0.451 187 E N 1.168 121.381 120.200 0.022 0.000 2.007 187 E HA -0.159 4.193 4.350 0.004 0.000 0.194 187 E C 1.948 178.590 176.600 0.071 0.000 0.999 187 E CA 1.628 58.060 56.400 0.053 0.000 0.811 187 E CB -0.221 29.506 29.700 0.045 0.000 0.762 187 E HN 0.285 nan 8.360 nan 0.000 0.450 188 A N -0.271 122.588 122.820 0.064 0.000 1.883 188 A HA -0.225 4.097 4.320 0.004 0.000 0.217 188 A C 2.228 179.878 177.584 0.111 0.000 1.186 188 A CA 1.839 53.924 52.037 0.080 0.000 0.624 188 A CB -1.127 17.918 19.000 0.075 0.000 0.822 188 A HN 0.506 nan 8.150 nan 0.000 0.444 189 Y N 0.934 121.258 120.300 0.039 0.000 2.049 189 Y HA -0.255 4.298 4.550 0.005 0.000 0.277 189 Y C 2.377 178.353 175.900 0.127 0.000 1.143 189 Y CA 2.393 60.570 58.100 0.128 0.000 1.115 189 Y CB -0.571 38.071 38.460 0.302 0.000 0.975 189 Y HN 0.488 nan 8.280 nan 0.000 0.487 190 E N -0.272 119.975 120.200 0.078 0.000 2.085 190 E HA -0.288 4.064 4.350 0.004 0.000 0.194 190 E C 2.028 178.584 176.600 -0.073 0.000 0.994 190 E CA 1.330 57.707 56.400 -0.039 0.000 0.801 190 E CB -0.444 29.322 29.700 0.110 0.000 0.743 190 E HN 0.528 nan 8.360 nan 0.000 0.453 191 N N 0.882 119.573 118.700 -0.015 0.000 2.061 191 N HA -0.221 4.522 4.740 0.004 0.000 0.193 191 N C 1.766 177.251 175.510 -0.041 0.000 1.030 191 N CA 1.907 54.950 53.050 -0.012 0.000 0.856 191 N CB -0.169 38.328 38.487 0.016 0.000 1.023 191 N HN 0.170 nan 8.380 nan 0.000 0.424 192 A N 0.235 123.016 122.820 -0.066 0.000 1.940 192 A HA -0.224 4.099 4.320 0.004 0.000 0.219 192 A C 2.079 179.601 177.584 -0.103 0.000 1.176 192 A CA 1.591 53.585 52.037 -0.072 0.000 0.631 192 A CB -0.717 18.239 19.000 -0.072 0.000 0.814 192 A HN 0.534 nan 8.150 nan 0.000 0.446 193 Q N -0.449 119.242 119.800 -0.182 0.000 2.135 193 Q HA -0.200 4.142 4.340 0.004 0.000 0.204 193 Q C 1.922 177.874 176.000 -0.079 0.000 0.981 193 Q CA 1.397 57.105 55.803 -0.160 0.000 0.856 193 Q CB -0.229 28.377 28.738 -0.219 0.000 0.902 193 Q HN 0.490 nan 8.270 nan 0.000 0.425 194 K N 0.640 121.004 120.400 -0.060 0.000 2.032 194 K HA -0.072 4.251 4.320 0.004 0.000 0.209 194 K C 1.926 178.512 176.600 -0.023 0.000 1.048 194 K CA 1.132 57.401 56.287 -0.031 0.000 0.927 194 K CB -0.523 31.966 32.500 -0.018 0.000 0.712 194 K HN 0.042 nan 8.250 nan 0.000 0.441 195 S N 1.580 117.266 115.700 -0.023 0.000 2.660 195 S HA -0.008 4.464 4.470 0.004 0.000 0.228 195 S C -0.026 174.566 174.600 -0.013 0.000 0.966 195 S CA -0.066 58.126 58.200 -0.012 0.000 0.940 195 S CB -0.497 62.699 63.200 -0.007 0.000 0.773 195 S HN 0.256 nan 8.310 nan 0.000 0.535 196 N N 1.024 119.711 118.700 -0.022 0.000 2.727 196 N HA -0.151 4.591 4.740 0.004 0.000 0.251 196 N C -0.910 174.593 175.510 -0.012 0.000 1.040 196 N CA 0.622 53.661 53.050 -0.018 0.000 0.712 196 N CB -1.215 37.267 38.487 -0.007 0.000 0.912 196 N HN 0.466 nan 8.380 nan 0.000 0.545 197 I N 0.451 121.008 120.570 -0.022 0.000 2.378 197 I HA 0.158 4.330 4.170 0.004 0.000 0.291 197 I C 0.623 176.735 176.117 -0.009 0.000 0.992 197 I CA -0.888 60.407 61.300 -0.007 0.000 1.154 197 I CB 1.704 39.702 38.000 -0.003 0.000 1.315 197 I HN -0.123 nan 8.210 nan 0.000 0.448 198 K N 6.300 126.711 120.400 0.019 0.000 2.310 198 K HA 0.294 4.616 4.320 0.004 0.000 0.290 198 K C -1.076 175.561 176.600 0.062 0.000 1.077 198 K CA -0.191 56.118 56.287 0.036 0.000 0.922 198 K CB 0.571 33.100 32.500 0.048 0.000 1.057 198 K HN 0.367 nan 8.250 nan 0.000 0.479 199 V N 6.912 126.869 119.914 0.071 0.000 2.385 199 V HA 0.163 4.285 4.120 0.004 0.000 0.269 199 V C 0.822 176.958 176.094 0.070 0.000 1.043 199 V CA -0.483 61.873 62.300 0.094 0.000 0.906 199 V CB 1.170 33.100 31.823 0.179 0.000 0.995 199 V HN 0.737 nan 8.190 nan 0.000 0.467 200 K N 3.207 123.625 120.400 0.030 0.000 2.356 200 K HA 0.337 4.660 4.320 0.004 0.000 0.195 200 K C 0.764 177.253 176.600 -0.184 0.000 1.037 200 K CA 0.634 56.949 56.287 0.047 0.000 1.014 200 K CB 0.890 33.538 32.500 0.247 0.000 0.815 200 K HN 0.847 nan 8.250 nan 0.000 0.507 201 G N 0.119 108.476 108.800 -0.738 0.000 2.430 201 G HA2 0.408 4.370 3.960 0.004 0.000 0.300 201 G HA3 0.408 4.370 3.960 0.004 0.000 0.300 201 G C -2.118 172.158 174.900 -1.039 0.000 1.330 201 G CA -0.767 43.741 45.100 -0.986 0.000 0.813 201 G HN 0.036 nan 8.290 nan 0.000 0.487 202 L N 0.329 121.236 121.223 -0.526 0.000 2.431 202 L HA 0.849 5.192 4.340 0.004 0.000 0.266 202 L C -1.204 175.729 176.870 0.106 0.000 0.978 202 L CA -1.117 53.636 54.840 -0.144 0.000 0.822 202 L CB 1.864 43.907 42.059 -0.026 0.000 1.310 202 L HN 0.689 nan 8.230 nan 0.000 0.409 203 I N 5.453 126.147 120.570 0.208 0.000 2.389 203 I HA 0.442 4.614 4.170 0.004 0.000 0.288 203 I C -1.312 174.890 176.117 0.141 0.000 0.999 203 I CA -0.537 60.882 61.300 0.199 0.000 1.129 203 I CB 1.218 39.278 38.000 0.101 0.000 1.288 203 I HN 0.615 nan 8.210 nan 0.000 0.444 204 L N 5.964 127.287 121.223 0.166 0.000 2.331 204 L HA 0.616 4.958 4.340 0.004 0.000 0.268 204 L C -0.266 176.745 176.870 0.235 0.000 1.015 204 L CA -0.709 54.236 54.840 0.176 0.000 0.807 204 L CB 2.031 44.176 42.059 0.143 0.000 1.293 204 L HN 0.482 nan 8.230 nan 0.000 0.451 205 T N 1.199 115.892 114.554 0.232 0.000 2.906 205 T HA 0.361 4.714 4.350 0.004 0.000 0.302 205 T C -0.977 173.845 174.700 0.204 0.000 1.002 205 T CA -0.562 61.688 62.100 0.250 0.000 0.988 205 T CB 0.818 69.838 68.868 0.255 0.000 0.972 205 T HN 0.504 nan 8.240 nan 0.000 0.447 206 N N 3.963 122.807 118.700 0.240 0.000 2.519 206 N HA 0.438 5.181 4.740 0.004 0.000 0.291 206 N C -3.110 172.582 175.510 0.302 0.000 1.107 206 N CA -1.648 51.564 53.050 0.269 0.000 0.904 206 N CB 1.895 40.560 38.487 0.296 0.000 1.500 206 N HN 0.126 nan 8.380 nan 0.000 0.510 207 P HA -0.017 nan 4.420 nan 0.000 0.269 207 P C -0.567 176.782 177.300 0.082 0.000 1.211 207 P CA -0.012 63.130 63.100 0.069 0.000 0.781 207 P CB 0.538 32.195 31.700 -0.070 0.000 0.877 208 S N 1.647 117.354 115.700 0.012 0.000 2.565 208 S HA 0.292 4.765 4.470 0.004 0.000 0.274 208 S C -0.151 174.408 174.600 -0.068 0.000 1.309 208 S CA -0.307 57.884 58.200 -0.016 0.000 1.043 208 S CB -0.418 62.737 63.200 -0.074 0.000 0.939 208 S HN 0.408 nan 8.310 nan 0.000 0.504 209 N N 3.331 121.996 118.700 -0.059 0.000 2.346 209 N HA 0.497 5.240 4.740 0.004 0.000 0.289 209 N C -2.134 173.177 175.510 -0.331 0.000 1.027 209 N CA -2.167 50.801 53.050 -0.137 0.000 0.864 209 N CB 2.111 40.638 38.487 0.066 0.000 1.370 209 N HN 0.335 nan 8.380 nan 0.000 0.481 210 P HA 0.087 nan 4.420 nan 0.000 0.249 210 P C 0.860 177.688 177.300 -0.788 0.000 1.229 210 P CA 0.243 62.687 63.100 -1.093 0.000 0.788 210 P CB 0.419 31.053 31.700 -1.776 0.000 1.072 211 L N -0.604 120.182 121.223 -0.728 0.000 2.201 211 L HA 0.044 4.387 4.340 0.004 0.000 0.212 211 L C 1.697 178.536 176.870 -0.051 0.000 1.105 211 L CA 1.210 55.727 54.840 -0.537 0.000 0.775 211 L CB -1.528 40.213 42.059 -0.531 0.000 0.913 211 L HN 0.121 nan 8.230 nan 0.000 0.440 212 G N 1.479 110.316 108.800 0.061 0.000 2.273 212 G HA2 -0.272 3.690 3.960 0.004 0.000 0.280 212 G HA3 -0.272 3.690 3.960 0.004 0.000 0.280 212 G C 0.245 175.101 174.900 -0.073 0.000 1.047 212 G CA 0.546 45.624 45.100 -0.036 0.000 0.869 212 G HN 0.461 nan 8.290 nan 0.000 0.502 213 T N -1.758 112.751 114.554 -0.074 0.000 2.824 213 T HA 0.675 5.028 4.350 0.004 0.000 0.282 213 T C 0.103 174.784 174.700 -0.032 0.000 0.993 213 T CA 0.076 62.143 62.100 -0.056 0.000 0.967 213 T CB 1.983 70.835 68.868 -0.026 0.000 0.960 213 T HN 1.105 nan 8.240 nan 0.000 0.441 214 T N 2.480 117.022 114.554 -0.021 0.000 2.761 214 T HA 0.462 4.814 4.350 0.004 0.000 0.296 214 T C 0.529 175.266 174.700 0.062 0.000 0.934 214 T CA -0.982 61.163 62.100 0.076 0.000 1.091 214 T CB -0.166 68.771 68.868 0.115 0.000 0.896 214 T HN 0.628 nan 8.240 nan 0.000 0.515 215 L N 3.547 124.820 121.223 0.084 0.000 2.514 215 L HA 0.152 4.494 4.340 0.004 0.000 0.280 215 L C 1.318 178.193 176.870 0.008 0.000 1.223 215 L CA -0.433 54.431 54.840 0.040 0.000 0.864 215 L CB 0.112 42.200 42.059 0.049 0.000 1.118 215 L HN 0.788 nan 8.230 nan 0.000 0.494 216 D N 3.044 123.440 120.400 -0.007 0.000 2.399 216 D HA -0.058 4.585 4.640 0.004 0.000 0.241 216 D C 0.787 177.064 176.300 -0.038 0.000 1.133 216 D CA -0.124 53.863 54.000 -0.022 0.000 0.890 216 D CB 1.120 41.909 40.800 -0.018 0.000 1.201 216 D HN 0.550 nan 8.370 nan 0.000 0.432 217 K N 2.173 122.543 120.400 -0.051 0.000 2.032 217 K HA -0.181 4.142 4.320 0.004 0.000 0.209 217 K C 1.219 177.788 176.600 -0.051 0.000 1.048 217 K CA 1.571 57.819 56.287 -0.064 0.000 0.927 217 K CB 0.087 32.547 32.500 -0.067 0.000 0.712 217 K HN 0.466 nan 8.250 nan 0.000 0.441 218 D N -0.223 120.153 120.400 -0.039 0.000 2.144 218 D HA -0.106 4.537 4.640 0.004 0.000 0.200 218 D C 1.822 178.104 176.300 -0.030 0.000 0.978 218 D CA 1.439 55.419 54.000 -0.033 0.000 0.833 218 D CB -0.256 40.529 40.800 -0.026 0.000 0.961 218 D HN 0.317 nan 8.370 nan 0.000 0.470 219 T N 1.826 116.364 114.554 -0.028 0.000 2.684 219 T HA -0.115 4.237 4.350 0.004 0.000 0.267 219 T C 2.329 177.015 174.700 -0.024 0.000 1.036 219 T CA 0.627 62.712 62.100 -0.025 0.000 1.148 219 T CB -0.359 68.497 68.868 -0.020 0.000 0.863 219 T HN 0.119 nan 8.240 nan 0.000 0.436 220 L N 0.594 121.801 121.223 -0.027 0.000 1.989 220 L HA -0.162 4.181 4.340 0.004 0.000 0.211 220 L C 2.774 179.626 176.870 -0.030 0.000 1.071 220 L CA 1.556 56.380 54.840 -0.026 0.000 0.749 220 L CB -0.541 41.492 42.059 -0.044 0.000 0.890 220 L HN 0.226 nan 8.230 nan 0.000 0.431 221 K N -0.283 120.094 120.400 -0.038 0.000 2.059 221 K HA -0.197 4.125 4.320 0.004 0.000 0.212 221 K C 2.255 178.842 176.600 -0.022 0.000 1.050 221 K CA 1.912 58.178 56.287 -0.037 0.000 0.927 221 K CB -0.349 32.128 32.500 -0.037 0.000 0.714 221 K HN 0.218 nan 8.250 nan 0.000 0.447 222 S N 0.852 116.542 115.700 -0.017 0.000 2.359 222 S HA -0.134 4.338 4.470 0.004 0.000 0.224 222 S C 2.213 176.819 174.600 0.010 0.000 1.035 222 S CA 1.518 59.715 58.200 -0.005 0.000 1.018 222 S CB -0.326 62.863 63.200 -0.018 0.000 0.876 222 S HN 0.073 nan 8.310 nan 0.000 0.448 223 V N 1.839 121.752 119.914 -0.002 0.000 2.295 223 V HA -0.121 4.001 4.120 0.004 0.000 0.246 223 V C 2.237 178.350 176.094 0.031 0.000 1.049 223 V CA 1.555 63.865 62.300 0.017 0.000 1.024 223 V CB -0.729 31.095 31.823 0.001 0.000 0.648 223 V HN 0.384 nan 8.190 nan 0.000 0.447 224 L N -0.198 121.022 121.223 -0.005 0.000 2.265 224 L HA -0.089 4.253 4.340 0.004 0.000 0.215 224 L C 2.325 179.172 176.870 -0.038 0.000 1.117 224 L CA 1.806 56.627 54.840 -0.032 0.000 0.782 224 L CB -0.639 41.385 42.059 -0.057 0.000 0.914 224 L HN 0.241 nan 8.230 nan 0.000 0.441 225 S N -1.026 114.668 115.700 -0.011 0.000 2.335 225 S HA -0.131 4.341 4.470 0.004 0.000 0.217 225 S C 1.734 176.323 174.600 -0.017 0.000 1.032 225 S CA 1.225 59.419 58.200 -0.009 0.000 0.985 225 S CB -0.523 62.686 63.200 0.014 0.000 0.896 225 S HN 0.595 nan 8.310 nan 0.000 0.445 226 F N 2.383 122.242 119.950 -0.150 0.000 2.091 226 F HA -0.199 4.330 4.527 0.004 0.000 0.299 226 F C 2.494 178.058 175.800 -0.394 0.000 1.103 226 F CA 1.949 59.775 58.000 -0.289 0.000 1.228 226 F CB -1.059 37.744 39.000 -0.328 0.000 0.984 226 F HN 0.120 nan 8.300 nan 0.000 0.477 227 T N 0.560 114.969 114.554 -0.242 0.000 2.622 227 T HA -0.258 4.094 4.350 0.004 0.000 0.266 227 T C 2.003 176.513 174.700 -0.317 0.000 1.047 227 T CA 1.761 63.671 62.100 -0.317 0.000 1.159 227 T CB -0.549 68.251 68.868 -0.115 0.000 0.863 227 T HN 0.361 nan 8.240 nan 0.000 0.422 228 N N 0.550 119.133 118.700 -0.196 0.000 2.309 228 N HA -0.060 4.682 4.740 0.004 0.000 0.182 228 N C 1.745 177.178 175.510 -0.128 0.000 1.018 228 N CA 0.897 53.858 53.050 -0.148 0.000 0.876 228 N CB -0.024 38.403 38.487 -0.100 0.000 0.972 228 N HN 0.557 nan 8.380 nan 0.000 0.434 229 Q N -1.056 118.674 119.800 -0.117 0.000 2.472 229 Q HA 0.005 4.348 4.340 0.004 0.000 0.208 229 Q C 0.201 176.212 176.000 0.019 0.000 0.958 229 Q CA 0.618 56.408 55.803 -0.021 0.000 0.932 229 Q CB 0.216 28.983 28.738 0.049 0.000 1.007 229 Q HN 0.597 nan 8.270 nan 0.000 0.508 230 H N -0.760 118.054 119.070 -0.426 0.000 2.767 230 H HA 0.172 4.731 4.556 0.004 0.000 0.260 230 H C -0.316 174.835 175.328 -0.295 0.000 1.172 230 H CA -0.637 55.163 56.048 -0.413 0.000 1.048 230 H CB 0.670 29.996 29.762 -0.727 0.000 1.697 230 H HN 0.133 nan 8.280 nan 0.000 0.606 231 N N 1.966 120.582 118.700 -0.139 0.000 2.707 231 N HA -0.171 4.572 4.740 0.004 0.000 0.253 231 N C -0.182 175.204 175.510 -0.207 0.000 0.998 231 N CA 1.174 54.129 53.050 -0.159 0.000 0.751 231 N CB -1.311 37.109 38.487 -0.110 0.000 0.920 231 N HN 0.654 nan 8.380 nan 0.000 0.539 232 I N -3.596 116.822 120.570 -0.254 0.000 2.846 232 I HA 0.493 4.665 4.170 0.004 0.000 0.307 232 I C 0.399 176.335 176.117 -0.301 0.000 1.053 232 I CA -1.087 60.056 61.300 -0.262 0.000 1.050 232 I CB 1.472 39.348 38.000 -0.206 0.000 1.239 232 I HN -0.107 nan 8.210 nan 0.000 0.439 233 H N 2.884 121.916 119.070 -0.064 0.000 2.607 233 H HA 0.495 5.053 4.556 0.003 0.000 0.367 233 H C -0.745 174.586 175.328 0.005 0.000 1.181 233 H CA -0.159 55.915 56.048 0.042 0.000 1.402 233 H CB 1.243 31.166 29.762 0.269 0.000 1.474 233 H HN 0.492 nan 8.280 nan 0.000 0.596 234 L N 2.919 124.271 121.223 0.215 0.000 2.401 234 L HA 0.316 4.658 4.340 0.004 0.000 0.263 234 L C -1.390 175.650 176.870 0.284 0.000 1.004 234 L CA -0.447 54.492 54.840 0.165 0.000 0.881 234 L CB 0.660 42.756 42.059 0.062 0.000 1.219 234 L HN 0.391 nan 8.230 nan 0.000 0.441 235 V N 3.983 124.113 119.914 0.359 0.000 2.461 235 V HA 0.309 4.431 4.120 0.004 0.000 0.275 235 V C -0.157 176.094 176.094 0.262 0.000 1.047 235 V CA -0.260 62.255 62.300 0.357 0.000 0.955 235 V CB 1.094 33.113 31.823 0.326 0.000 0.988 235 V HN 0.829 nan 8.190 nan 0.000 0.471 236 C N 4.196 123.656 119.300 0.268 0.000 2.301 236 C HA 0.342 4.805 4.460 0.004 0.000 0.323 236 C C 0.248 175.394 174.990 0.260 0.000 1.265 236 C CA -0.932 58.236 59.018 0.250 0.000 1.503 236 C CB 0.581 28.470 27.740 0.247 0.000 2.195 236 C HN 0.839 nan 8.230 nan 0.000 0.477 237 D N 2.866 123.418 120.400 0.252 0.000 2.500 237 D HA 0.085 4.727 4.640 0.004 0.000 0.219 237 D C 0.341 176.784 176.300 0.238 0.000 1.137 237 D CA 0.095 54.240 54.000 0.241 0.000 0.946 237 D CB 0.538 41.505 40.800 0.279 0.000 1.022 237 D HN 0.656 nan 8.370 nan 0.000 0.518 238 E N 3.509 123.867 120.200 0.264 0.000 2.354 238 E HA 0.079 4.431 4.350 0.004 0.000 0.252 238 E C 1.493 178.227 176.600 0.223 0.000 1.330 238 E CA -0.257 56.297 56.400 0.257 0.000 1.658 238 E CB 0.630 30.545 29.700 0.359 0.000 1.460 238 E HN 0.557 nan 8.360 nan 0.000 0.435 239 I N -0.113 120.515 120.570 0.097 0.000 2.756 239 I HA -0.245 3.927 4.170 0.004 0.000 0.262 239 I C 0.588 176.542 176.117 -0.271 0.000 1.225 239 I CA 1.114 62.331 61.300 -0.139 0.000 1.472 239 I CB 0.216 37.995 38.000 -0.367 0.000 1.094 239 I HN 0.235 nan 8.210 nan 0.000 0.454 240 Y N 0.130 120.401 120.300 -0.048 0.000 2.571 240 Y HA 0.350 4.902 4.550 0.004 0.000 0.275 240 Y C 2.073 177.822 175.900 -0.251 0.000 1.179 240 Y CA 0.229 58.262 58.100 -0.112 0.000 1.242 240 Y CB -0.338 38.050 38.460 -0.120 0.000 1.126 240 Y HN 0.138 nan 8.280 nan 0.000 0.524 241 A N 0.689 123.372 122.820 -0.228 0.000 1.958 241 A HA -0.207 4.116 4.320 0.004 0.000 0.221 241 A C 2.144 179.508 177.584 -0.368 0.000 1.178 241 A CA 2.017 53.652 52.037 -0.669 0.000 0.642 241 A CB -0.702 18.026 19.000 -0.452 0.000 0.816 241 A HN 0.371 nan 8.150 nan 0.000 0.453 242 A N -0.730 122.034 122.820 -0.094 0.000 2.462 242 A HA 0.382 4.705 4.320 0.004 0.000 0.261 242 A C 1.434 179.027 177.584 0.015 0.000 1.323 242 A CA 0.999 53.020 52.037 -0.026 0.000 0.913 242 A CB -0.715 18.331 19.000 0.077 0.000 1.028 242 A HN 0.686 nan 8.150 nan 0.000 0.511 243 T N -3.581 110.972 114.554 -0.003 0.000 3.044 243 T HA 0.257 4.609 4.350 0.004 0.000 0.260 243 T C 0.277 174.988 174.700 0.018 0.000 1.019 243 T CA -0.060 62.072 62.100 0.053 0.000 0.921 243 T CB -0.356 68.577 68.868 0.109 0.000 1.053 243 T HN -0.056 nan 8.240 nan 0.000 0.533 244 V N 3.724 123.581 119.914 -0.097 0.000 2.540 244 V HA 0.200 4.322 4.120 0.004 0.000 0.297 244 V C 0.737 176.754 176.094 -0.129 0.000 1.024 244 V CA 0.140 62.310 62.300 -0.216 0.000 1.105 244 V CB -0.712 31.023 31.823 -0.147 0.000 0.938 244 V HN 0.713 nan 8.190 nan 0.000 0.482 245 F N 0.927 120.840 119.950 -0.062 0.000 2.729 245 F HA 0.634 5.164 4.527 0.004 0.000 0.315 245 F C 0.064 175.825 175.800 -0.066 0.000 1.102 245 F CA -0.723 57.240 58.000 -0.062 0.000 1.204 245 F CB 0.394 39.356 39.000 -0.063 0.000 1.052 245 F HN 0.435 nan 8.300 nan 0.000 0.551 246 D N 0.667 120.905 120.400 -0.270 0.000 2.685 246 D HA 0.149 4.791 4.640 0.004 0.000 0.236 246 D C -0.684 175.520 176.300 -0.159 0.000 1.233 246 D CA -0.013 53.915 54.000 -0.120 0.000 0.760 246 D CB 2.520 43.296 40.800 -0.040 0.000 1.410 246 D HN 0.099 nan 8.370 nan 0.000 0.439 247 T N 0.213 114.725 114.554 -0.070 0.000 2.855 247 T HA 0.402 4.754 4.350 0.004 0.000 0.322 247 T C -2.200 172.460 174.700 -0.067 0.000 1.088 247 T CA -0.722 61.344 62.100 -0.056 0.000 1.104 247 T CB 0.407 69.259 68.868 -0.025 0.000 0.996 247 T HN 0.113 nan 8.240 nan 0.000 0.549 248 P HA 0.181 nan 4.420 nan 0.000 0.274 248 P C -0.383 176.897 177.300 -0.032 0.000 1.260 248 P CA -0.676 62.403 63.100 -0.035 0.000 0.793 248 P CB 0.288 31.972 31.700 -0.028 0.000 1.048 249 Q N 0.305 120.094 119.800 -0.019 0.000 2.259 249 Q HA 0.307 4.649 4.340 0.004 0.000 0.246 249 Q C -0.739 175.284 176.000 0.038 0.000 0.920 249 Q CA -0.696 55.111 55.803 0.007 0.000 0.895 249 Q CB 0.309 29.047 28.738 -0.001 0.000 1.220 249 Q HN 0.247 nan 8.270 nan 0.000 0.439 250 F N 2.936 122.847 119.950 -0.064 0.000 2.571 250 F HA 0.128 4.657 4.527 0.004 0.000 0.390 250 F C -0.973 174.809 175.800 -0.030 0.000 1.043 250 F CA -0.108 57.864 58.000 -0.047 0.000 1.164 250 F CB 0.470 39.445 39.000 -0.042 0.000 1.049 250 F HN 0.341 nan 8.300 nan 0.000 0.552 251 V N 7.363 126.871 119.914 -0.676 0.000 2.318 251 V HA 0.186 4.308 4.120 0.004 0.000 0.271 251 V C 0.289 175.805 176.094 -0.963 0.000 1.030 251 V CA -0.497 61.431 62.300 -0.620 0.000 0.844 251 V CB 0.691 32.332 31.823 -0.303 0.000 1.015 251 V HN 0.890 nan 8.190 nan 0.000 0.460 252 S N 3.942 119.095 115.700 -0.911 0.000 2.603 252 S HA 0.240 4.712 4.470 0.004 0.000 0.268 252 S C 1.093 175.570 174.600 -0.206 0.000 1.317 252 S CA -0.412 57.460 58.200 -0.546 0.000 1.012 252 S CB 0.847 63.966 63.200 -0.136 0.000 0.926 252 S HN 0.583 nan 8.310 nan 0.000 0.539 253 I N 3.766 124.316 120.570 -0.034 0.000 2.493 253 I HA 0.051 4.224 4.170 0.004 0.000 0.254 253 I C 2.253 178.341 176.117 -0.049 0.000 1.160 253 I CA 1.646 62.932 61.300 -0.023 0.000 1.445 253 I CB -0.980 37.055 38.000 0.058 0.000 1.086 253 I HN 0.819 nan 8.210 nan 0.000 0.433 254 A N -0.217 122.643 122.820 0.067 0.000 1.933 254 A HA -0.233 4.089 4.320 0.004 0.000 0.218 254 A C 2.223 179.752 177.584 -0.092 0.000 1.175 254 A CA 1.930 54.000 52.037 0.055 0.000 0.628 254 A CB -0.656 18.400 19.000 0.093 0.000 0.814 254 A HN 0.551 nan 8.150 nan 0.000 0.444 255 E N -0.394 119.744 120.200 -0.104 0.000 2.107 255 E HA -0.107 4.246 4.350 0.004 0.000 0.191 255 E C 1.791 178.311 176.600 -0.133 0.000 0.982 255 E CA 0.836 57.160 56.400 -0.127 0.000 0.809 255 E CB -0.173 29.442 29.700 -0.142 0.000 0.756 255 E HN 0.501 nan 8.360 nan 0.000 0.459 256 I N 1.034 121.520 120.570 -0.140 0.000 2.335 256 I HA -0.250 3.923 4.170 0.004 0.000 0.251 256 I C 2.190 178.218 176.117 -0.147 0.000 1.129 256 I CA 1.385 62.606 61.300 -0.132 0.000 1.402 256 I CB -0.754 37.172 38.000 -0.123 0.000 1.069 256 I HN 0.203 nan 8.210 nan 0.000 0.424 257 L N -0.089 121.022 121.223 -0.188 0.000 2.313 257 L HA -0.117 4.226 4.340 0.004 0.000 0.214 257 L C 1.305 178.067 176.870 -0.180 0.000 1.119 257 L CA 0.755 55.461 54.840 -0.223 0.000 0.809 257 L CB -0.315 41.530 42.059 -0.357 0.000 0.933 257 L HN 0.109 nan 8.230 nan 0.000 0.449 258 D N 0.043 120.352 120.400 -0.150 0.000 2.319 258 D HA 0.029 4.671 4.640 0.004 0.000 0.230 258 D C 0.402 176.633 176.300 -0.114 0.000 1.094 258 D CA 0.302 54.227 54.000 -0.126 0.000 0.856 258 D CB 0.163 40.897 40.800 -0.111 0.000 0.915 258 D HN 0.339 nan 8.370 nan 0.000 0.517 259 E N 0.346 120.476 120.200 -0.117 0.000 2.319 259 E HA 0.087 4.440 4.350 0.004 0.000 0.268 259 E C 0.948 177.488 176.600 -0.100 0.000 1.050 259 E CA -0.339 56.003 56.400 -0.098 0.000 0.878 259 E CB 1.584 31.230 29.700 -0.089 0.000 1.066 259 E HN 0.032 nan 8.360 nan 0.000 0.406 260 Q N 1.782 121.535 119.800 -0.078 0.000 2.030 260 Q HA -0.243 4.099 4.340 0.004 0.000 0.204 260 Q C 1.425 177.391 176.000 -0.056 0.000 0.986 260 Q CA 2.173 57.934 55.803 -0.069 0.000 0.843 260 Q CB 0.087 28.800 28.738 -0.041 0.000 0.904 260 Q HN 0.586 nan 8.270 nan 0.000 0.420 261 E N -0.810 119.370 120.200 -0.034 0.000 2.418 261 E HA -0.105 4.247 4.350 0.004 0.000 0.197 261 E C 1.362 177.958 176.600 -0.007 0.000 1.026 261 E CA 0.489 56.889 56.400 -0.001 0.000 0.862 261 E CB 0.068 29.767 29.700 -0.002 0.000 0.799 261 E HN 0.341 nan 8.360 nan 0.000 0.518 262 M N 0.435 119.999 119.600 -0.061 0.000 2.371 262 M HA 0.142 4.624 4.480 0.004 0.000 0.246 262 M C 1.465 177.682 176.300 -0.138 0.000 1.103 262 M CA 0.485 55.738 55.300 -0.079 0.000 1.010 262 M CB -0.116 32.424 32.600 -0.100 0.000 1.457 262 M HN 0.011 nan 8.290 nan 0.000 0.486 263 T N 0.697 115.114 114.554 -0.227 0.000 2.760 263 T HA -0.185 4.167 4.350 0.004 0.000 0.269 263 T C 1.098 175.486 174.700 -0.521 0.000 1.047 263 T CA 1.753 63.597 62.100 -0.427 0.000 1.139 263 T CB -0.346 68.140 68.868 -0.638 0.000 0.855 263 T HN 0.428 nan 8.240 nan 0.000 0.471 264 Y N -0.179 120.084 120.300 -0.061 0.000 2.461 264 Y HA 0.266 4.818 4.550 0.004 0.000 0.277 264 Y C 1.224 177.084 175.900 -0.068 0.000 1.182 264 Y CA -1.135 56.931 58.100 -0.057 0.000 1.276 264 Y CB -0.246 38.185 38.460 -0.048 0.000 1.087 264 Y HN 0.143 nan 8.280 nan 0.000 0.519 265 C N 1.516 120.809 119.300 -0.012 0.000 2.605 265 C HA 0.091 4.554 4.460 0.004 0.000 0.404 265 C C 0.853 175.802 174.990 -0.069 0.000 1.284 265 C CA -0.870 58.119 59.018 -0.048 0.000 2.199 265 C CB -0.259 27.424 27.740 -0.095 0.000 2.647 265 C HN 0.376 nan 8.230 nan 0.000 0.604 266 N N 1.390 120.049 118.700 -0.069 0.000 2.420 266 N HA 0.131 4.873 4.740 0.004 0.000 0.262 266 N C 0.591 176.047 175.510 -0.089 0.000 1.144 266 N CA 0.010 53.021 53.050 -0.063 0.000 0.952 266 N CB 0.671 39.124 38.487 -0.057 0.000 1.081 266 N HN 0.388 nan 8.380 nan 0.000 0.480 267 K N 1.362 121.718 120.400 -0.073 0.000 2.504 267 K HA 0.024 4.346 4.320 0.004 0.000 0.195 267 K C 0.389 176.992 176.600 0.005 0.000 1.036 267 K CA 0.589 56.835 56.287 -0.069 0.000 0.984 267 K CB 0.278 32.777 32.500 -0.002 0.000 0.788 267 K HN 0.513 nan 8.250 nan 0.000 0.488 268 D N -0.196 120.212 120.400 0.014 0.000 2.347 268 D HA -0.001 4.642 4.640 0.004 0.000 0.215 268 D C 1.055 177.424 176.300 0.115 0.000 0.976 268 D CA 0.655 54.706 54.000 0.085 0.000 0.884 268 D CB 0.280 41.134 40.800 0.090 0.000 0.915 268 D HN 0.200 nan 8.370 nan 0.000 0.526 269 L N -0.138 121.064 121.223 -0.035 0.000 2.590 269 L HA 0.140 4.482 4.340 0.004 0.000 0.227 269 L C 0.289 177.068 176.870 -0.150 0.000 1.099 269 L CA 0.059 54.868 54.840 -0.051 0.000 0.872 269 L CB 0.728 42.656 42.059 -0.218 0.000 1.088 269 L HN -0.255 nan 8.230 nan 0.000 0.479 270 V N 0.127 119.836 119.914 -0.341 0.000 2.435 270 V HA 0.423 4.545 4.120 0.004 0.000 0.290 270 V C -0.517 175.372 176.094 -0.342 0.000 1.030 270 V CA -0.583 61.543 62.300 -0.291 0.000 0.881 270 V CB 1.183 32.855 31.823 -0.252 0.000 0.983 270 V HN 0.156 nan 8.190 nan 0.000 0.445 271 H N 4.099 123.388 119.070 0.365 0.000 2.996 271 H HA 0.581 5.140 4.556 0.004 0.000 0.368 271 H C -1.113 174.421 175.328 0.343 0.000 1.185 271 H CA -0.638 55.620 56.048 0.350 0.000 1.160 271 H CB 2.533 32.421 29.762 0.210 0.000 1.820 271 H HN 0.441 nan 8.280 nan 0.000 0.547 272 I N 1.888 122.736 120.570 0.464 0.000 2.493 272 I HA 0.322 4.495 4.170 0.004 0.000 0.298 272 I C -0.248 176.054 176.117 0.308 0.000 0.998 272 I CA -1.078 60.459 61.300 0.394 0.000 1.137 272 I CB 2.219 40.481 38.000 0.438 0.000 1.310 272 I HN 0.141 nan 8.210 nan 0.000 0.445 273 V N 6.148 126.225 119.914 0.272 0.000 2.444 273 V HA 0.400 4.523 4.120 0.004 0.000 0.294 273 V C -1.097 175.155 176.094 0.263 0.000 1.022 273 V CA -0.594 61.841 62.300 0.225 0.000 0.850 273 V CB 1.702 33.628 31.823 0.172 0.000 0.992 273 V HN 0.499 nan 8.190 nan 0.000 0.426 274 Y N 2.966 123.306 120.300 0.066 0.000 2.665 274 Y HA 0.848 5.400 4.550 0.004 0.000 0.336 274 Y C -0.020 175.887 175.900 0.012 0.000 1.085 274 Y CA -0.652 57.461 58.100 0.021 0.000 1.096 274 Y CB 2.423 40.879 38.460 -0.006 0.000 1.301 274 Y HN 0.652 nan 8.280 nan 0.000 0.493 275 S N 1.008 116.173 115.700 -0.891 0.000 2.595 275 S HA 0.412 4.885 4.470 0.004 0.000 0.270 275 S C -1.068 173.052 174.600 -0.799 0.000 1.145 275 S CA -0.665 57.181 58.200 -0.591 0.000 0.825 275 S CB 0.573 63.579 63.200 -0.325 0.000 1.107 275 S HN 0.712 nan 8.310 nan 0.000 0.461 276 L N 2.262 123.262 121.223 -0.372 0.000 2.640 276 L HA 0.239 4.582 4.340 0.004 0.000 0.230 276 L C 1.771 178.535 176.870 -0.177 0.000 1.123 276 L CA 0.058 54.749 54.840 -0.250 0.000 0.900 276 L CB 0.044 42.022 42.059 -0.135 0.000 1.146 276 L HN 0.582 nan 8.230 nan 0.000 0.484 277 S N 0.074 115.661 115.700 -0.188 0.000 2.419 277 S HA -0.074 4.398 4.470 0.004 0.000 0.233 277 S C 1.846 176.375 174.600 -0.118 0.000 1.016 277 S CA 1.133 59.255 58.200 -0.129 0.000 0.974 277 S CB 0.078 63.214 63.200 -0.106 0.000 0.786 277 S HN 0.348 nan 8.310 nan 0.000 0.492 278 K N 0.915 121.202 120.400 -0.188 0.000 2.306 278 K HA 0.088 4.411 4.320 0.004 0.000 0.200 278 K C 0.781 177.373 176.600 -0.014 0.000 1.083 278 K CA 0.988 57.193 56.287 -0.138 0.000 0.959 278 K CB -0.329 31.911 32.500 -0.433 0.000 0.994 278 K HN 0.436 nan 8.250 nan 0.000 0.492 279 D N -0.440 119.959 120.400 -0.001 0.000 2.325 279 D HA 0.064 4.707 4.640 0.004 0.000 0.225 279 D C 1.268 177.746 176.300 0.297 0.000 1.096 279 D CA 0.300 54.393 54.000 0.156 0.000 0.844 279 D CB 0.255 41.172 40.800 0.196 0.000 0.925 279 D HN 0.006 nan 8.370 nan 0.000 0.513 280 M N -1.028 118.683 119.600 0.184 0.000 2.163 280 M HA 0.246 4.728 4.480 0.004 0.000 0.356 280 M C 0.823 177.193 176.300 0.117 0.000 0.863 280 M CA 0.434 55.852 55.300 0.197 0.000 1.113 280 M CB 1.533 34.102 32.600 -0.052 0.000 2.038 280 M HN 0.191 nan 8.290 nan 0.000 0.691 281 G N 2.458 111.292 108.800 0.057 0.000 2.225 281 G HA2 -0.229 3.733 3.960 0.004 0.000 0.264 281 G HA3 -0.229 3.733 3.960 0.004 0.000 0.264 281 G C 0.011 174.853 174.900 -0.097 0.000 1.060 281 G CA 0.026 45.134 45.100 0.014 0.000 0.833 281 G HN 0.474 nan 8.290 nan 0.000 0.498 282 L N -0.012 121.117 121.223 -0.157 0.000 3.168 282 L HA 0.235 4.578 4.340 0.004 0.000 0.277 282 L C -0.425 176.336 176.870 -0.182 0.000 1.308 282 L CA -1.169 53.471 54.840 -0.333 0.000 0.976 282 L CB 0.684 42.476 42.059 -0.446 0.000 1.383 282 L HN 0.057 nan 8.230 nan 0.000 0.572 283 P HA -0.187 nan 4.420 nan 0.000 0.218 283 P C 1.470 178.798 177.300 0.046 0.000 1.146 283 P CA 1.540 64.634 63.100 -0.011 0.000 0.813 283 P CB 0.253 31.963 31.700 0.018 0.000 0.778 284 G N -1.545 107.277 108.800 0.037 0.000 2.679 284 G HA2 -0.147 3.815 3.960 0.004 0.000 0.212 284 G HA3 -0.147 3.815 3.960 0.004 0.000 0.212 284 G C 0.894 176.023 174.900 0.382 0.000 1.137 284 G CA -0.034 45.163 45.100 0.160 0.000 0.787 284 G HN 0.137 nan 8.290 nan 0.000 0.534 285 F N 0.538 120.502 119.950 0.022 0.000 2.765 285 F HA 0.320 4.850 4.527 0.004 0.000 0.302 285 F C 1.084 176.894 175.800 0.018 0.000 1.111 285 F CA -0.865 57.146 58.000 0.019 0.000 1.359 285 F CB -0.001 39.017 39.000 0.030 0.000 1.097 285 F HN 0.006 nan 8.300 nan 0.000 0.577 286 R N 0.228 120.848 120.500 0.201 0.000 3.251 286 R HA -0.154 4.189 4.340 0.004 0.000 0.249 286 R C -0.827 175.537 176.300 0.107 0.000 0.949 286 R CA 0.171 56.343 56.100 0.120 0.000 0.645 286 R CB -2.681 27.679 30.300 0.100 0.000 1.065 286 R HN 0.008 nan 8.270 nan 0.000 0.452 287 V N 0.527 120.507 119.914 0.110 0.000 2.284 287 V HA 0.421 4.543 4.120 0.004 0.000 0.260 287 V C 1.280 177.415 176.094 0.068 0.000 1.084 287 V CA -0.001 62.371 62.300 0.119 0.000 0.894 287 V CB 1.421 33.338 31.823 0.156 0.000 1.119 287 V HN 0.449 nan 8.190 nan 0.000 0.484 288 G N 4.062 112.914 108.800 0.086 0.000 2.388 288 G HA2 0.769 4.732 3.960 0.004 0.000 0.330 288 G HA3 0.769 4.732 3.960 0.004 0.000 0.330 288 G C -1.166 173.807 174.900 0.121 0.000 1.142 288 G CA -0.439 44.700 45.100 0.065 0.000 0.908 288 G HN 0.446 nan 8.290 nan 0.000 0.473 289 I N 0.552 121.201 120.570 0.130 0.000 2.730 289 I HA 0.479 4.652 4.170 0.004 0.000 0.298 289 I C -0.412 175.808 176.117 0.172 0.000 1.089 289 I CA -0.613 60.791 61.300 0.173 0.000 1.041 289 I CB 2.506 40.634 38.000 0.214 0.000 1.235 289 I HN 0.301 nan 8.210 nan 0.000 0.423 290 I N 4.820 125.484 120.570 0.158 0.000 2.439 290 I HA 0.248 4.421 4.170 0.004 0.000 0.285 290 I C -1.593 174.626 176.117 0.170 0.000 1.021 290 I CA -0.721 60.667 61.300 0.147 0.000 1.091 290 I CB 1.474 39.523 38.000 0.082 0.000 1.242 290 I HN 0.470 nan 8.210 nan 0.000 0.439 291 Y N 6.333 126.669 120.300 0.060 0.000 2.712 291 Y HA 0.409 4.962 4.550 0.004 0.000 0.328 291 Y C -0.017 175.858 175.900 -0.042 0.000 0.995 291 Y CA -0.297 57.800 58.100 -0.005 0.000 1.283 291 Y CB 1.286 39.745 38.460 -0.001 0.000 1.092 291 Y HN 0.480 nan 8.280 nan 0.000 0.519 292 S N 4.519 120.037 115.700 -0.303 0.000 2.480 292 S HA 0.309 4.781 4.470 0.004 0.000 0.286 292 S C 0.354 174.738 174.600 -0.359 0.000 1.180 292 S CA -0.510 57.628 58.200 -0.104 0.000 1.075 292 S CB 0.303 63.595 63.200 0.152 0.000 0.996 292 S HN 0.623 nan 8.310 nan 0.000 0.487 293 F N 2.789 122.690 119.950 -0.080 0.000 2.816 293 F HA 0.248 4.777 4.527 0.004 0.000 0.302 293 F C 1.405 177.171 175.800 -0.056 0.000 1.178 293 F CA -0.099 57.840 58.000 -0.102 0.000 1.421 293 F CB -0.010 38.946 39.000 -0.073 0.000 1.114 293 F HN 0.417 nan 8.300 nan 0.000 0.573 294 N N 0.803 119.576 118.700 0.121 0.000 2.444 294 N HA 0.055 4.797 4.740 0.004 0.000 0.262 294 N C 0.167 175.713 175.510 0.060 0.000 0.974 294 N CA -0.057 53.069 53.050 0.128 0.000 0.933 294 N CB 1.095 39.731 38.487 0.248 0.000 1.137 294 N HN 0.033 nan 8.380 nan 0.000 0.498 295 D N 1.695 122.117 120.400 0.037 0.000 2.144 295 D HA -0.125 4.517 4.640 0.004 0.000 0.199 295 D C 0.687 176.998 176.300 0.018 0.000 0.984 295 D CA 1.230 55.237 54.000 0.012 0.000 0.834 295 D CB 0.368 41.178 40.800 0.016 0.000 0.955 295 D HN 0.550 nan 8.370 nan 0.000 0.465 296 D N -0.130 120.294 120.400 0.038 0.000 2.117 296 D HA -0.074 4.568 4.640 0.004 0.000 0.198 296 D C 2.235 178.546 176.300 0.019 0.000 0.982 296 D CA 0.441 54.461 54.000 0.032 0.000 0.828 296 D CB -0.276 40.553 40.800 0.048 0.000 0.967 296 D HN 0.083 nan 8.370 nan 0.000 0.464 297 V N 0.688 120.625 119.914 0.037 0.000 2.343 297 V HA -0.188 3.934 4.120 0.004 0.000 0.247 297 V C 2.664 178.743 176.094 -0.024 0.000 1.051 297 V CA 0.914 63.217 62.300 0.005 0.000 1.036 297 V CB -0.423 31.421 31.823 0.035 0.000 0.654 297 V HN 0.049 nan 8.190 nan 0.000 0.451 298 V N 0.689 120.589 119.914 -0.023 0.000 2.324 298 V HA -0.287 3.835 4.120 0.004 0.000 0.250 298 V C 2.382 178.431 176.094 -0.076 0.000 1.060 298 V CA 2.255 64.520 62.300 -0.059 0.000 1.042 298 V CB -0.727 31.051 31.823 -0.075 0.000 0.650 298 V HN 0.607 nan 8.190 nan 0.000 0.450 299 N N -0.556 118.110 118.700 -0.056 0.000 2.022 299 N HA -0.203 4.540 4.740 0.004 0.000 0.194 299 N C 1.942 177.390 175.510 -0.103 0.000 1.057 299 N CA 1.974 54.981 53.050 -0.072 0.000 0.849 299 N CB -1.042 37.428 38.487 -0.028 0.000 1.044 299 N HN 0.544 nan 8.380 nan 0.000 0.424 300 C N 1.495 120.758 119.300 -0.063 0.000 2.403 300 C HA -0.061 4.402 4.460 0.004 0.000 0.277 300 C C 2.842 177.787 174.990 -0.074 0.000 1.248 300 C CA 1.230 60.214 59.018 -0.057 0.000 1.762 300 C CB -1.322 26.401 27.740 -0.029 0.000 2.014 300 C HN 0.482 nan 8.230 nan 0.000 0.486 301 A N -0.177 122.597 122.820 -0.077 0.000 1.898 301 A HA -0.164 4.159 4.320 0.004 0.000 0.216 301 A C 2.383 179.889 177.584 -0.129 0.000 1.181 301 A CA 1.690 53.686 52.037 -0.069 0.000 0.620 301 A CB -0.728 18.239 19.000 -0.055 0.000 0.819 301 A HN 0.735 nan 8.150 nan 0.000 0.442 302 R N -0.107 120.252 120.500 -0.234 0.000 2.066 302 R HA -0.102 4.240 4.340 0.004 0.000 0.232 302 R C 2.057 177.971 176.300 -0.644 0.000 1.131 302 R CA 1.694 57.521 56.100 -0.454 0.000 0.955 302 R CB -0.250 29.689 30.300 -0.602 0.000 0.851 302 R HN 0.490 nan 8.270 nan 0.000 0.432 303 K N -0.176 119.915 120.400 -0.514 0.000 2.218 303 K HA -0.148 4.174 4.320 0.004 0.000 0.205 303 K C 1.946 178.440 176.600 -0.175 0.000 1.046 303 K CA 1.680 57.786 56.287 -0.301 0.000 0.933 303 K CB -0.042 32.396 32.500 -0.104 0.000 0.728 303 K HN 0.270 nan 8.250 nan 0.000 0.454 304 M N 0.153 119.689 119.600 -0.107 0.000 2.541 304 M HA -0.053 4.430 4.480 0.004 0.000 0.252 304 M C 1.948 178.293 176.300 0.074 0.000 1.125 304 M CA 0.701 56.041 55.300 0.067 0.000 1.091 304 M CB 0.179 32.859 32.600 0.133 0.000 1.420 304 M HN 0.126 nan 8.290 nan 0.000 0.486 305 S N -0.244 115.424 115.700 -0.054 0.000 2.481 305 S HA -0.068 4.405 4.470 0.004 0.000 0.231 305 S C 1.593 176.193 174.600 -0.001 0.000 0.996 305 S CA 1.058 59.255 58.200 -0.005 0.000 0.942 305 S CB -0.628 62.541 63.200 -0.053 0.000 0.768 305 S HN 0.492 nan 8.310 nan 0.000 0.520 306 S N 0.131 115.771 115.700 -0.100 0.000 2.727 306 S HA 0.218 4.690 4.470 0.004 0.000 0.226 306 S C 0.588 175.037 174.600 -0.253 0.000 0.963 306 S CA -0.064 58.048 58.200 -0.146 0.000 0.950 306 S CB -0.749 62.356 63.200 -0.158 0.000 0.779 306 S HN 0.517 nan 8.310 nan 0.000 0.532 307 F N 1.277 121.248 119.950 0.034 0.000 2.717 307 F HA 0.451 4.980 4.527 0.004 0.000 0.297 307 F C 1.615 177.434 175.800 0.032 0.000 1.113 307 F CA -0.568 57.446 58.000 0.022 0.000 1.319 307 F CB 0.482 39.489 39.000 0.012 0.000 1.097 307 F HN 0.367 nan 8.300 nan 0.000 0.595 308 G N 0.877 109.791 108.800 0.190 0.000 4.876 308 G HA2 0.377 4.339 3.960 0.004 0.000 0.219 308 G HA3 0.377 4.339 3.960 0.004 0.000 0.219 308 G C -0.560 174.393 174.900 0.089 0.000 0.877 308 G CA -0.283 44.896 45.100 0.132 0.000 0.718 308 G HN -0.018 nan 8.290 nan 0.000 0.518 309 L N 0.874 122.136 121.223 0.066 0.000 2.426 309 L HA 0.298 4.640 4.340 0.004 0.000 0.271 309 L C 0.810 177.686 176.870 0.011 0.000 1.169 309 L CA -0.697 54.170 54.840 0.045 0.000 0.836 309 L CB 1.392 43.480 42.059 0.047 0.000 1.112 309 L HN -0.079 nan 8.230 nan 0.000 0.465 310 V N 2.265 122.161 119.914 -0.030 0.000 2.740 310 V HA -0.050 4.073 4.120 0.004 0.000 0.303 310 V C 0.801 176.816 176.094 -0.132 0.000 1.054 310 V CA 0.047 62.291 62.300 -0.093 0.000 1.106 310 V CB 1.433 33.133 31.823 -0.204 0.000 0.957 310 V HN 0.855 nan 8.190 nan 0.000 0.486 311 S N 2.869 118.498 115.700 -0.119 0.000 2.537 311 S HA 0.016 4.489 4.470 0.004 0.000 0.286 311 S C 1.624 176.126 174.600 -0.163 0.000 1.299 311 S CA 0.045 58.175 58.200 -0.116 0.000 1.067 311 S CB 0.807 63.940 63.200 -0.113 0.000 0.864 311 S HN 1.079 nan 8.310 nan 0.000 0.494 312 T N 2.626 117.105 114.554 -0.124 0.000 2.759 312 T HA -0.242 4.110 4.350 0.004 0.000 0.269 312 T C 1.703 176.339 174.700 -0.107 0.000 1.042 312 T CA 1.659 63.677 62.100 -0.137 0.000 1.140 312 T CB -0.508 68.312 68.868 -0.079 0.000 0.864 312 T HN 0.775 nan 8.240 nan 0.000 0.455 313 Q N 0.755 120.492 119.800 -0.105 0.000 2.135 313 Q HA -0.142 4.200 4.340 0.004 0.000 0.204 313 Q C 2.053 178.031 176.000 -0.038 0.000 0.981 313 Q CA 1.814 57.571 55.803 -0.076 0.000 0.856 313 Q CB -0.389 28.293 28.738 -0.092 0.000 0.902 313 Q HN 0.579 nan 8.270 nan 0.000 0.425 314 T N 0.492 114.973 114.554 -0.122 0.000 2.978 314 T HA -0.029 4.323 4.350 0.004 0.000 0.262 314 T C 1.570 176.245 174.700 -0.041 0.000 1.063 314 T CA 0.748 62.771 62.100 -0.128 0.000 1.140 314 T CB 0.037 68.753 68.868 -0.254 0.000 0.886 314 T HN 0.365 nan 8.240 nan 0.000 0.470 315 Q N -0.258 119.419 119.800 -0.205 0.000 2.124 315 Q HA -0.120 4.223 4.340 0.004 0.000 0.202 315 Q C 1.900 177.892 176.000 -0.013 0.000 0.977 315 Q CA 1.372 56.946 55.803 -0.382 0.000 0.850 315 Q CB -0.243 28.101 28.738 -0.656 0.000 0.901 315 Q HN 0.600 nan 8.270 nan 0.000 0.429 316 Y N 0.386 120.642 120.300 -0.073 0.000 2.114 316 Y HA -0.301 4.251 4.550 0.004 0.000 0.284 316 Y C 2.042 177.983 175.900 0.069 0.000 1.143 316 Y CA 1.752 59.851 58.100 -0.002 0.000 1.135 316 Y CB -0.372 38.088 38.460 -0.001 0.000 0.980 316 Y HN 0.122 nan 8.280 nan 0.000 0.499 317 F N 0.268 120.319 119.950 0.168 0.000 2.161 317 F HA -0.237 4.292 4.527 0.004 0.000 0.300 317 F C 1.707 177.490 175.800 -0.028 0.000 1.089 317 F CA 1.689 59.755 58.000 0.111 0.000 1.282 317 F CB -0.497 38.563 39.000 0.100 0.000 1.010 317 F HN 0.070 nan 8.300 nan 0.000 0.485 318 L N -0.467 120.657 121.223 -0.165 0.000 2.179 318 L HA -0.020 4.323 4.340 0.004 0.000 0.208 318 L C 2.748 179.454 176.870 -0.273 0.000 1.096 318 L CA 0.819 55.486 54.840 -0.288 0.000 0.779 318 L CB -1.082 41.012 42.059 0.058 0.000 0.922 318 L HN 0.205 nan 8.230 nan 0.000 0.443 319 A N 0.279 123.021 122.820 -0.130 0.000 1.972 319 A HA -0.130 4.193 4.320 0.004 0.000 0.219 319 A C 2.497 179.928 177.584 -0.256 0.000 1.169 319 A CA 1.683 53.629 52.037 -0.151 0.000 0.635 319 A CB -0.457 18.476 19.000 -0.112 0.000 0.810 319 A HN 0.391 nan 8.150 nan 0.000 0.446 320 A N -0.697 121.921 122.820 -0.336 0.000 1.840 320 A HA -0.025 4.297 4.320 0.004 0.000 0.214 320 A C 2.292 179.669 177.584 -0.346 0.000 1.198 320 A CA 1.704 53.593 52.037 -0.247 0.000 0.608 320 A CB -0.551 18.380 19.000 -0.115 0.000 0.839 320 A HN 0.541 nan 8.150 nan 0.000 0.443 321 M N -0.467 118.594 119.600 -0.899 0.000 2.175 321 M HA 0.003 4.485 4.480 0.004 0.000 0.264 321 M C 1.429 177.205 176.300 -0.872 0.000 1.063 321 M CA 1.427 55.749 55.300 -1.629 0.000 1.119 321 M CB -0.177 31.060 32.600 -2.273 0.000 1.377 321 M HN 0.355 nan 8.290 nan 0.000 0.415 322 L N -0.657 120.224 121.223 -0.571 0.000 2.610 322 L HA -0.026 4.316 4.340 0.004 0.000 0.232 322 L C 1.691 178.472 176.870 -0.148 0.000 1.149 322 L CA 0.166 54.821 54.840 -0.307 0.000 0.872 322 L CB -0.273 41.596 42.059 -0.317 0.000 0.992 322 L HN 0.250 nan 8.230 nan 0.000 0.447 323 S N -1.380 114.224 115.700 -0.160 0.000 2.524 323 S HA -0.030 4.443 4.470 0.004 0.000 0.216 323 S C 0.609 175.209 174.600 -0.001 0.000 0.987 323 S CA -0.061 58.100 58.200 -0.066 0.000 0.909 323 S CB -0.046 63.111 63.200 -0.071 0.000 0.781 323 S HN 0.305 nan 8.310 nan 0.000 0.521 324 D N 2.246 122.652 120.400 0.009 0.000 2.483 324 D HA 0.120 4.762 4.640 0.004 0.000 0.220 324 D C 1.034 177.430 176.300 0.161 0.000 1.173 324 D CA -0.088 53.989 54.000 0.129 0.000 0.964 324 D CB 0.232 41.187 40.800 0.260 0.000 1.046 324 D HN 0.222 nan 8.370 nan 0.000 0.517 325 E N 2.987 123.257 120.200 0.116 0.000 2.086 325 E HA -0.309 4.044 4.350 0.004 0.000 0.200 325 E C 1.326 178.003 176.600 0.129 0.000 1.012 325 E CA 1.437 57.901 56.400 0.106 0.000 0.812 325 E CB 0.289 30.033 29.700 0.073 0.000 0.743 325 E HN 0.445 nan 8.360 nan 0.000 0.453 326 K N -0.272 120.217 120.400 0.148 0.000 2.044 326 K HA -0.218 4.104 4.320 0.004 0.000 0.210 326 K C 2.146 178.856 176.600 0.184 0.000 1.049 326 K CA 1.722 58.100 56.287 0.151 0.000 0.927 326 K CB -0.512 32.086 32.500 0.163 0.000 0.713 326 K HN 0.208 nan 8.250 nan 0.000 0.443 327 F N 1.991 122.014 119.950 0.123 0.000 2.075 327 F HA -0.220 4.309 4.527 0.004 0.000 0.297 327 F C 2.085 177.947 175.800 0.104 0.000 1.113 327 F CA 1.215 59.289 58.000 0.124 0.000 1.218 327 F CB -0.385 38.645 39.000 0.049 0.000 0.984 327 F HN -0.280 nan 8.300 nan 0.000 0.472 328 V N 0.711 120.681 119.914 0.093 0.000 2.332 328 V HA -0.317 3.805 4.120 0.004 0.000 0.248 328 V C 2.158 178.282 176.094 0.049 0.000 1.055 328 V CA 2.287 64.629 62.300 0.070 0.000 1.038 328 V CB -0.738 31.206 31.823 0.202 0.000 0.651 328 V HN 0.367 nan 8.190 nan 0.000 0.450 329 D N -0.228 120.196 120.400 0.040 0.000 2.117 329 D HA -0.151 4.492 4.640 0.004 0.000 0.198 329 D C 2.071 178.371 176.300 -0.001 0.000 0.982 329 D CA 1.589 55.604 54.000 0.024 0.000 0.828 329 D CB -0.277 40.541 40.800 0.030 0.000 0.967 329 D HN 0.503 nan 8.370 nan 0.000 0.464 330 N N -0.077 118.609 118.700 -0.022 0.000 2.084 330 N HA -0.178 4.565 4.740 0.004 0.000 0.190 330 N C 1.680 177.148 175.510 -0.070 0.000 1.030 330 N CA 0.783 53.810 53.050 -0.038 0.000 0.849 330 N CB -0.331 38.143 38.487 -0.022 0.000 1.012 330 N HN 0.007 nan 8.380 nan 0.000 0.423 331 F N 1.130 120.882 119.950 -0.329 0.000 2.026 331 F HA -0.114 4.415 4.527 0.004 0.000 0.296 331 F C 1.964 177.690 175.800 -0.123 0.000 1.133 331 F CA 1.540 59.355 58.000 -0.308 0.000 1.188 331 F CB -0.655 38.032 39.000 -0.521 0.000 0.968 331 F HN 0.062 nan 8.300 nan 0.000 0.476 332 L N -0.078 121.194 121.223 0.081 0.000 2.089 332 L HA -0.291 4.051 4.340 0.004 0.000 0.213 332 L C 2.761 179.578 176.870 -0.090 0.000 1.079 332 L CA 1.739 56.578 54.840 -0.001 0.000 0.758 332 L CB -0.715 41.359 42.059 0.026 0.000 0.891 332 L HN 0.211 nan 8.230 nan 0.000 0.433 333 R N 0.150 120.604 120.500 -0.076 0.000 2.052 333 R HA -0.168 4.174 4.340 0.004 0.000 0.226 333 R C 2.256 178.498 176.300 -0.096 0.000 1.145 333 R CA 1.500 57.561 56.100 -0.066 0.000 0.952 333 R CB -0.073 30.204 30.300 -0.038 0.000 0.847 333 R HN 0.191 nan 8.270 nan 0.000 0.431 334 E N 0.486 120.612 120.200 -0.123 0.000 2.049 334 E HA -0.177 4.175 4.350 0.004 0.000 0.198 334 E C 1.892 178.379 176.600 -0.188 0.000 1.007 334 E CA 2.086 58.407 56.400 -0.132 0.000 0.809 334 E CB -0.428 29.196 29.700 -0.126 0.000 0.749 334 E HN 0.188 nan 8.360 nan 0.000 0.450 335 S N -0.930 114.561 115.700 -0.349 0.000 2.359 335 S HA -0.208 4.264 4.470 0.004 0.000 0.224 335 S C 1.998 176.494 174.600 -0.173 0.000 1.035 335 S CA 1.543 59.515 58.200 -0.380 0.000 1.018 335 S CB -0.644 62.124 63.200 -0.721 0.000 0.876 335 S HN 0.492 nan 8.310 nan 0.000 0.448 336 A N 0.970 123.720 122.820 -0.118 0.000 1.933 336 A HA -0.074 4.248 4.320 0.004 0.000 0.218 336 A C 2.215 179.808 177.584 0.014 0.000 1.175 336 A CA 1.741 53.773 52.037 -0.009 0.000 0.628 336 A CB -0.643 18.356 19.000 -0.001 0.000 0.814 336 A HN 0.633 nan 8.150 nan 0.000 0.444 337 M N -0.886 118.697 119.600 -0.028 0.000 2.117 337 M HA -0.189 4.293 4.480 0.004 0.000 0.262 337 M C 2.364 178.642 176.300 -0.038 0.000 1.065 337 M CA 1.609 56.896 55.300 -0.022 0.000 1.114 337 M CB -0.139 32.441 32.600 -0.033 0.000 1.361 337 M HN 0.427 nan 8.290 nan 0.000 0.408 338 R N -0.135 120.331 120.500 -0.056 0.000 2.062 338 R HA -0.052 4.290 4.340 0.004 0.000 0.229 338 R C 2.148 178.399 176.300 -0.082 0.000 1.128 338 R CA 1.183 57.245 56.100 -0.063 0.000 0.960 338 R CB -0.642 29.622 30.300 -0.060 0.000 0.855 338 R HN 0.380 nan 8.270 nan 0.000 0.432 339 L N 0.294 121.481 121.223 -0.061 0.000 2.043 339 L HA -0.176 4.166 4.340 0.004 0.000 0.212 339 L C 2.580 179.245 176.870 -0.342 0.000 1.075 339 L CA 1.641 56.428 54.840 -0.088 0.000 0.752 339 L CB -0.925 41.173 42.059 0.066 0.000 0.891 339 L HN 0.423 nan 8.230 nan 0.000 0.432 340 G N -0.015 108.643 108.800 -0.236 0.000 2.402 340 G HA2 -0.307 3.656 3.960 0.004 0.000 0.216 340 G HA3 -0.307 3.656 3.960 0.004 0.000 0.216 340 G C 1.596 176.359 174.900 -0.228 0.000 1.162 340 G CA 0.972 45.879 45.100 -0.321 0.000 0.777 340 G HN 0.254 nan 8.290 nan 0.000 0.539 341 K N 0.677 120.995 120.400 -0.136 0.000 2.001 341 K HA -0.161 4.161 4.320 0.004 0.000 0.214 341 K C 2.472 178.991 176.600 -0.135 0.000 1.050 341 K CA 1.808 58.035 56.287 -0.100 0.000 0.934 341 K CB -0.356 32.095 32.500 -0.081 0.000 0.718 341 K HN 0.153 nan 8.250 nan 0.000 0.443 342 R N 0.392 120.778 120.500 -0.190 0.000 2.094 342 R HA -0.214 4.128 4.340 0.004 0.000 0.239 342 R C 2.552 178.546 176.300 -0.510 0.000 1.137 342 R CA 2.342 58.288 56.100 -0.256 0.000 0.943 342 R CB -1.144 29.004 30.300 -0.253 0.000 0.850 342 R HN 0.653 nan 8.270 nan 0.000 0.433 343 H N 0.396 118.934 119.070 -0.888 0.000 2.267 343 H HA -0.132 4.426 4.556 0.004 0.000 0.297 343 H C 1.513 176.568 175.328 -0.455 0.000 1.080 343 H CA 2.411 57.808 56.048 -1.085 0.000 1.278 343 H CB -0.041 29.053 29.762 -1.114 0.000 1.365 343 H HN 0.112 nan 8.280 nan 0.000 0.489 344 K N -0.303 120.038 120.400 -0.098 0.000 2.032 344 K HA -0.173 4.149 4.320 0.004 0.000 0.209 344 K C 2.392 178.945 176.600 -0.079 0.000 1.048 344 K CA 1.575 57.856 56.287 -0.009 0.000 0.927 344 K CB -0.703 31.849 32.500 0.086 0.000 0.712 344 K HN 0.410 nan 8.250 nan 0.000 0.441 345 H N -0.772 118.205 119.070 -0.155 0.000 2.422 345 H HA -0.140 4.418 4.556 0.004 0.000 0.298 345 H C 1.671 176.946 175.328 -0.089 0.000 1.098 345 H CA 1.652 57.636 56.048 -0.107 0.000 1.315 345 H CB -0.243 29.466 29.762 -0.089 0.000 1.382 345 H HN 0.218 nan 8.280 nan 0.000 0.523 346 F N 0.363 120.052 119.950 -0.434 0.000 2.149 346 F HA -0.068 4.461 4.527 0.004 0.000 0.294 346 F C 2.391 177.993 175.800 -0.330 0.000 1.095 346 F CA 1.731 59.468 58.000 -0.438 0.000 1.276 346 F CB -0.702 38.048 39.000 -0.416 0.000 1.023 346 F HN 0.116 nan 8.300 nan 0.000 0.480 347 T N 1.060 115.381 114.554 -0.389 0.000 2.684 347 T HA -0.214 4.138 4.350 0.004 0.000 0.267 347 T C 1.726 176.265 174.700 -0.268 0.000 1.036 347 T CA 1.698 63.595 62.100 -0.339 0.000 1.148 347 T CB -0.460 68.250 68.868 -0.263 0.000 0.863 347 T HN 0.220 nan 8.240 nan 0.000 0.436 348 N N 1.179 119.759 118.700 -0.201 0.000 2.069 348 N HA -0.076 4.666 4.740 0.004 0.000 0.191 348 N C 2.235 177.633 175.510 -0.188 0.000 1.031 348 N CA 1.497 54.465 53.050 -0.137 0.000 0.852 348 N CB -1.068 37.382 38.487 -0.063 0.000 1.018 348 N HN 0.509 nan 8.380 nan 0.000 0.423 349 G N 1.450 110.081 108.800 -0.282 0.000 2.469 349 G HA2 -0.198 3.764 3.960 0.004 0.000 0.219 349 G HA3 -0.198 3.764 3.960 0.004 0.000 0.219 349 G C 1.695 176.421 174.900 -0.290 0.000 1.150 349 G CA 0.578 45.505 45.100 -0.288 0.000 0.763 349 G HN 0.259 nan 8.290 nan 0.000 0.561 350 L N -0.007 120.978 121.223 -0.396 0.000 2.093 350 L HA -0.016 4.327 4.340 0.004 0.000 0.208 350 L C 2.692 179.438 176.870 -0.208 0.000 1.085 350 L CA 1.062 55.699 54.840 -0.339 0.000 0.755 350 L CB -0.294 41.507 42.059 -0.429 0.000 0.904 350 L HN 0.258 nan 8.230 nan 0.000 0.435 351 E N -0.583 119.515 120.200 -0.171 0.000 2.482 351 E HA -0.099 4.254 4.350 0.004 0.000 0.196 351 E C 2.144 178.685 176.600 -0.097 0.000 1.047 351 E CA 0.275 56.609 56.400 -0.110 0.000 0.869 351 E CB 0.223 29.877 29.700 -0.076 0.000 0.836 351 E HN 0.303 nan 8.360 nan 0.000 0.520 352 V N 1.046 120.893 119.914 -0.111 0.000 2.244 352 V HA -0.191 3.932 4.120 0.004 0.000 0.244 352 V C 2.220 178.260 176.094 -0.090 0.000 1.042 352 V CA 1.763 64.009 62.300 -0.089 0.000 1.006 352 V CB -0.195 31.575 31.823 -0.089 0.000 0.641 352 V HN 0.279 nan 8.190 nan 0.000 0.446 353 V N -0.806 119.042 119.914 -0.109 0.000 3.623 353 V HA 0.444 4.566 4.120 0.004 0.000 0.274 353 V C 1.380 177.405 176.094 -0.115 0.000 1.244 353 V CA 0.637 62.871 62.300 -0.111 0.000 1.182 353 V CB -0.968 30.779 31.823 -0.126 0.000 0.925 353 V HN 0.812 nan 8.190 nan 0.000 0.462 354 G N 0.713 109.451 108.800 -0.104 0.000 2.160 354 G HA2 -0.242 3.721 3.960 0.004 0.000 0.244 354 G HA3 -0.242 3.721 3.960 0.004 0.000 0.244 354 G C -0.134 174.703 174.900 -0.105 0.000 1.022 354 G CA 0.332 45.375 45.100 -0.095 0.000 0.741 354 G HN 0.641 nan 8.290 nan 0.000 0.508 355 I N 0.807 121.304 120.570 -0.122 0.000 2.315 355 I HA 0.302 4.475 4.170 0.004 0.000 0.291 355 I C 0.371 176.429 176.117 -0.097 0.000 1.006 355 I CA -0.665 60.560 61.300 -0.125 0.000 1.265 355 I CB 1.083 38.993 38.000 -0.150 0.000 1.387 355 I HN -0.143 nan 8.210 nan 0.000 0.475 356 K N 5.080 125.437 120.400 -0.071 0.000 2.130 356 K HA 0.546 4.869 4.320 0.004 0.000 0.268 356 K C -0.816 175.807 176.600 0.038 0.000 0.983 356 K CA -0.418 55.862 56.287 -0.011 0.000 0.893 356 K CB 2.095 34.600 32.500 0.007 0.000 1.066 356 K HN 0.589 nan 8.250 nan 0.000 0.450 357 C N 1.417 120.792 119.300 0.124 0.000 2.771 357 C HA 0.432 4.894 4.460 0.004 0.000 0.333 357 C C -0.220 174.983 174.990 0.356 0.000 1.267 357 C CA -0.972 58.195 59.018 0.247 0.000 1.721 357 C CB 1.249 29.141 27.740 0.253 0.000 2.222 357 C HN 0.775 nan 8.230 nan 0.000 0.485 358 L N 2.460 123.983 121.223 0.500 0.000 2.361 358 L HA 0.295 4.638 4.340 0.004 0.000 0.278 358 L C 0.489 177.583 176.870 0.374 0.000 1.113 358 L CA 0.371 55.500 54.840 0.482 0.000 0.849 358 L CB -0.001 42.409 42.059 0.585 0.000 1.155 358 L HN 0.639 nan 8.230 nan 0.000 0.452 359 K N 5.348 125.921 120.400 0.288 0.000 2.511 359 K HA 0.054 4.377 4.320 0.004 0.000 0.280 359 K C -0.631 176.100 176.600 0.220 0.000 1.008 359 K CA 0.379 56.814 56.287 0.247 0.000 1.050 359 K CB 0.117 32.719 32.500 0.171 0.000 0.889 359 K HN 0.938 nan 8.250 nan 0.000 0.484 360 N N 2.159 120.995 118.700 0.226 0.000 2.591 360 N HA 0.117 4.859 4.740 0.004 0.000 0.263 360 N C -1.239 174.227 175.510 -0.073 0.000 1.308 360 N CA -0.865 52.255 53.050 0.117 0.000 0.837 360 N CB 1.023 39.642 38.487 0.221 0.000 1.548 360 N HN 0.672 nan 8.380 nan 0.000 0.493 361 N N -0.817 117.661 118.700 -0.370 0.000 2.305 361 N HA 0.407 5.150 4.740 0.004 0.000 0.248 361 N C -0.776 173.850 175.510 -1.475 0.000 1.290 361 N CA -0.236 52.184 53.050 -1.050 0.000 0.873 361 N CB 0.932 39.088 38.487 -0.551 0.000 1.261 361 N HN 0.795 nan 8.380 nan 0.000 0.504 362 A N -0.930 121.371 122.820 -0.865 0.000 2.564 362 A HA 0.838 5.161 4.320 0.004 0.000 0.291 362 A C 0.118 177.561 177.584 -0.233 0.000 1.102 362 A CA -0.141 51.624 52.037 -0.453 0.000 0.660 362 A CB 0.821 19.623 19.000 -0.329 0.000 1.283 362 A HN 0.922 nan 8.150 nan 0.000 0.430 363 G N -1.762 106.833 108.800 -0.341 0.000 2.660 363 G HA2 0.233 4.196 3.960 0.004 0.000 0.247 363 G HA3 0.233 4.196 3.960 0.004 0.000 0.247 363 G C -0.394 174.089 174.900 -0.695 0.000 1.328 363 G CA -0.163 44.386 45.100 -0.919 0.000 0.884 363 G HN 1.587 nan 8.290 nan 0.000 0.531 364 L N 0.522 120.996 121.223 -1.248 0.000 3.288 364 L HA 0.568 4.911 4.340 0.004 0.000 0.293 364 L C 0.057 176.375 176.870 -0.920 0.000 1.294 364 L CA -0.193 54.273 54.840 -0.625 0.000 1.006 364 L CB -0.448 41.532 42.059 -0.132 0.000 1.407 364 L HN 0.658 nan 8.230 nan 0.000 0.592 365 F N -1.959 117.485 119.950 -0.843 0.000 3.169 365 F HA 0.721 5.251 4.527 0.004 0.000 0.325 365 F C -0.673 174.894 175.800 -0.390 0.000 1.175 365 F CA -2.032 55.417 58.000 -0.917 0.000 0.887 365 F CB 0.638 39.423 39.000 -0.359 0.000 1.457 365 F HN -0.124 nan 8.300 nan 0.000 0.496 366 C N -1.364 118.147 119.300 0.352 0.000 2.985 366 C HA 0.546 5.008 4.460 0.004 0.000 0.314 366 C C -1.285 174.044 174.990 0.565 0.000 1.215 366 C CA -0.868 58.488 59.018 0.564 0.000 1.414 366 C CB 1.598 29.750 27.740 0.688 0.000 1.842 366 C HN 1.134 nan 8.230 nan 0.000 0.477 367 W N 5.034 126.507 121.300 0.289 0.000 2.085 367 W HA 0.412 5.074 4.660 0.004 0.000 0.392 367 W C -0.071 176.709 176.519 0.435 0.000 0.862 367 W CA -0.640 56.850 57.345 0.241 0.000 1.542 367 W CB 0.661 30.173 29.460 0.086 0.000 1.672 367 W HN 0.910 nan 8.180 nan 0.000 0.309 368 M N 4.119 123.866 119.600 0.246 0.000 2.238 368 M HA 0.031 4.513 4.480 0.004 0.000 0.347 368 M C -0.353 175.892 176.300 -0.092 0.000 1.173 368 M CA 0.898 56.279 55.300 0.135 0.000 1.147 368 M CB 0.658 33.338 32.600 0.133 0.000 1.547 368 M HN 0.155 nan 8.290 nan 0.000 0.455 369 D N 5.153 125.386 120.400 -0.279 0.000 2.392 369 D HA 0.274 4.917 4.640 0.004 0.000 0.228 369 D C -0.420 175.611 176.300 -0.449 0.000 1.074 369 D CA -0.152 53.365 54.000 -0.803 0.000 0.838 369 D CB 0.664 40.859 40.800 -1.009 0.000 1.067 369 D HN 0.734 nan 8.370 nan 0.000 0.511 370 L N 4.085 125.091 121.223 -0.362 0.000 2.965 370 L HA 0.288 4.630 4.340 0.004 0.000 0.254 370 L C 2.069 178.833 176.870 -0.176 0.000 1.220 370 L CA -0.309 54.422 54.840 -0.181 0.000 1.023 370 L CB 0.251 42.279 42.059 -0.052 0.000 1.355 370 L HN 0.223 nan 8.230 nan 0.000 0.545 371 R N 1.331 121.643 120.500 -0.315 0.000 2.117 371 R HA -0.147 4.195 4.340 0.004 0.000 0.243 371 R C -0.495 175.726 176.300 -0.132 0.000 1.143 371 R CA 1.583 57.548 56.100 -0.224 0.000 0.968 371 R CB -1.122 29.020 30.300 -0.263 0.000 0.863 371 R HN 0.356 nan 8.270 nan 0.000 0.444 372 P HA -0.112 nan 4.420 nan 0.000 0.226 372 P C 1.016 178.263 177.300 -0.088 0.000 1.153 372 P CA 1.180 64.219 63.100 -0.102 0.000 0.777 372 P CB 0.040 31.674 31.700 -0.110 0.000 0.794 373 L N -1.362 119.810 121.223 -0.086 0.000 2.509 373 L HA 0.115 4.457 4.340 0.004 0.000 0.222 373 L C 1.348 178.216 176.870 -0.004 0.000 1.123 373 L CA -0.090 54.713 54.840 -0.062 0.000 0.856 373 L CB -0.364 41.656 42.059 -0.065 0.000 0.985 373 L HN -0.073 nan 8.230 nan 0.000 0.456 374 L N 0.454 121.676 121.223 -0.002 0.000 2.453 374 L HA 0.060 4.403 4.340 0.004 0.000 0.272 374 L C 1.502 178.376 176.870 0.007 0.000 1.182 374 L CA -0.340 54.514 54.840 0.022 0.000 0.858 374 L CB 0.592 42.651 42.059 0.001 0.000 1.120 374 L HN 0.120 nan 8.230 nan 0.000 0.474 375 R N 1.394 121.907 120.500 0.022 0.000 2.189 375 R HA 0.127 4.470 4.340 0.004 0.000 0.218 375 R C 0.200 176.501 176.300 0.002 0.000 1.074 375 R CA 0.717 56.825 56.100 0.013 0.000 0.991 375 R CB -0.169 30.145 30.300 0.025 0.000 0.883 375 R HN 0.667 nan 8.270 nan 0.000 0.457 376 E N -1.394 118.806 120.200 -0.001 0.000 2.456 376 E HA 0.263 4.615 4.350 0.004 0.000 0.278 376 E C -0.946 175.634 176.600 -0.032 0.000 1.034 376 E CA -0.435 55.957 56.400 -0.012 0.000 0.846 376 E CB 1.991 31.688 29.700 -0.005 0.000 1.460 376 E HN -0.235 nan 8.360 nan 0.000 0.463 377 S N 1.118 116.791 115.700 -0.046 0.000 2.979 377 S HA 0.191 4.663 4.470 0.004 0.000 0.210 377 S C -0.258 174.266 174.600 -0.128 0.000 1.364 377 S CA -0.297 57.854 58.200 -0.082 0.000 1.208 377 S CB -0.287 62.877 63.200 -0.061 0.000 1.167 377 S HN 0.441 nan 8.310 nan 0.000 0.519 378 T N -2.507 111.972 114.554 -0.125 0.000 2.906 378 T HA 0.598 4.950 4.350 0.004 0.000 0.295 378 T C 0.450 175.059 174.700 -0.151 0.000 1.061 378 T CA -0.745 61.278 62.100 -0.128 0.000 1.000 378 T CB 0.647 69.508 68.868 -0.012 0.000 1.103 378 T HN 0.021 nan 8.240 nan 0.000 0.486 379 F N 1.261 121.235 119.950 0.039 0.000 2.365 379 F HA 0.004 4.533 4.527 0.004 0.000 0.300 379 F C 2.172 177.997 175.800 0.040 0.000 1.090 379 F CA 1.027 59.047 58.000 0.034 0.000 1.408 379 F CB -0.377 38.638 39.000 0.025 0.000 1.060 379 F HN 0.648 nan 8.300 nan 0.000 0.534 380 D N -0.806 119.705 120.400 0.185 0.000 2.117 380 D HA -0.153 4.490 4.640 0.004 0.000 0.197 380 D C 2.203 178.577 176.300 0.123 0.000 0.987 380 D CA 1.536 55.615 54.000 0.132 0.000 0.829 380 D CB -0.838 40.017 40.800 0.092 0.000 0.961 380 D HN 0.190 nan 8.370 nan 0.000 0.460 381 S N 0.694 116.450 115.700 0.094 0.000 2.368 381 S HA -0.181 4.292 4.470 0.004 0.000 0.225 381 S C 1.893 176.583 174.600 0.149 0.000 1.030 381 S CA 1.169 59.426 58.200 0.094 0.000 0.999 381 S CB -0.213 63.017 63.200 0.051 0.000 0.844 381 S HN 0.431 nan 8.310 nan 0.000 0.459 382 E N 0.629 120.917 120.200 0.146 0.000 2.085 382 E HA -0.181 4.171 4.350 0.004 0.000 0.194 382 E C 1.860 178.651 176.600 0.318 0.000 0.994 382 E CA 1.115 57.640 56.400 0.209 0.000 0.801 382 E CB -0.074 29.700 29.700 0.123 0.000 0.743 382 E HN 0.301 nan 8.360 nan 0.000 0.453 383 M N 0.387 120.148 119.600 0.269 0.000 2.254 383 M HA -0.070 4.412 4.480 0.004 0.000 0.265 383 M C 2.507 179.010 176.300 0.338 0.000 1.066 383 M CA 0.981 56.478 55.300 0.328 0.000 1.123 383 M CB -0.882 31.845 32.600 0.210 0.000 1.388 383 M HN 0.121 nan 8.290 nan 0.000 0.425 384 S N 1.026 116.865 115.700 0.231 0.000 2.343 384 S HA -0.133 4.340 4.470 0.004 0.000 0.219 384 S C 1.893 176.602 174.600 0.182 0.000 1.033 384 S CA 1.257 59.558 58.200 0.168 0.000 1.014 384 S CB -0.344 62.929 63.200 0.121 0.000 0.915 384 S HN 0.377 nan 8.310 nan 0.000 0.435 385 L N 0.855 122.215 121.223 0.229 0.000 2.043 385 L HA -0.070 4.272 4.340 0.004 0.000 0.212 385 L C 1.977 178.985 176.870 0.229 0.000 1.075 385 L CA 2.361 57.331 54.840 0.217 0.000 0.752 385 L CB -1.283 40.935 42.059 0.266 0.000 0.891 385 L HN 0.672 nan 8.230 nan 0.000 0.432 386 W N 0.658 122.099 121.300 0.235 0.000 2.342 386 W HA -0.210 4.453 4.660 0.004 0.000 0.297 386 W C 2.458 179.030 176.519 0.090 0.000 1.213 386 W CA 1.662 59.163 57.345 0.259 0.000 1.251 386 W CB -0.220 29.497 29.460 0.429 0.000 1.136 386 W HN 0.059 nan 8.180 nan 0.000 0.526 387 R N -0.053 120.451 120.500 0.007 0.000 2.096 387 R HA -0.097 4.245 4.340 0.004 0.000 0.235 387 R C 2.123 178.284 176.300 -0.231 0.000 1.127 387 R CA 1.513 57.484 56.100 -0.214 0.000 0.968 387 R CB -1.514 28.744 30.300 -0.071 0.000 0.861 387 R HN 0.250 nan 8.270 nan 0.000 0.440 388 V N 1.288 121.096 119.914 -0.175 0.000 2.427 388 V HA -0.182 3.941 4.120 0.004 0.000 0.248 388 V C 2.302 178.162 176.094 -0.390 0.000 1.051 388 V CA 1.453 63.594 62.300 -0.264 0.000 1.048 388 V CB -0.355 31.305 31.823 -0.272 0.000 0.666 388 V HN 0.178 nan 8.190 nan 0.000 0.456 389 I N 0.390 120.734 120.570 -0.376 0.000 2.286 389 I HA -0.195 3.977 4.170 0.004 0.000 0.245 389 I C 2.314 178.253 176.117 -0.297 0.000 1.104 389 I CA 1.919 62.999 61.300 -0.366 0.000 1.397 389 I CB -0.342 37.495 38.000 -0.272 0.000 1.072 389 I HN 0.359 nan 8.210 nan 0.000 0.417 390 I N -1.455 118.887 120.570 -0.379 0.000 2.617 390 I HA -0.080 4.093 4.170 0.004 0.000 0.256 390 I C 1.899 177.878 176.117 -0.230 0.000 1.167 390 I CA 1.417 62.518 61.300 -0.330 0.000 1.469 390 I CB -0.342 37.327 38.000 -0.551 0.000 1.098 390 I HN 0.169 nan 8.210 nan 0.000 0.436 391 N N 1.087 119.644 118.700 -0.238 0.000 2.508 391 N HA -0.025 4.718 4.740 0.004 0.000 0.186 391 N C 1.189 176.613 175.510 -0.143 0.000 1.034 391 N CA 1.050 54.002 53.050 -0.163 0.000 0.885 391 N CB -0.006 38.391 38.487 -0.149 0.000 1.135 391 N HN 0.403 nan 8.380 nan 0.000 0.435 392 D N 0.368 120.656 120.400 -0.186 0.000 2.277 392 D HA 0.062 4.705 4.640 0.004 0.000 0.209 392 D C 1.633 177.815 176.300 -0.197 0.000 0.970 392 D CA 0.519 54.415 54.000 -0.174 0.000 0.874 392 D CB 0.617 41.304 40.800 -0.188 0.000 0.982 392 D HN 0.006 nan 8.370 nan 0.000 0.504 393 V N 0.473 120.222 119.914 -0.274 0.000 3.650 393 V HA 0.047 4.170 4.120 0.004 0.000 0.271 393 V C 0.562 176.567 176.094 -0.148 0.000 1.281 393 V CA -0.114 62.039 62.300 -0.243 0.000 1.120 393 V CB -0.534 31.061 31.823 -0.381 0.000 0.856 393 V HN 0.145 nan 8.190 nan 0.000 0.443 394 K N 1.002 121.321 120.400 -0.136 0.000 3.278 394 K HA -0.196 4.127 4.320 0.004 0.000 0.270 394 K C -0.668 175.897 176.600 -0.059 0.000 0.955 394 K CA 0.416 56.657 56.287 -0.077 0.000 0.723 394 K CB -1.305 31.177 32.500 -0.031 0.000 1.382 394 K HN 0.434 nan 8.250 nan 0.000 0.461 395 L N 0.596 121.775 121.223 -0.075 0.000 2.409 395 L HA 0.302 4.645 4.340 0.004 0.000 0.272 395 L C -0.068 176.793 176.870 -0.015 0.000 0.980 395 L CA -1.110 53.701 54.840 -0.048 0.000 0.826 395 L CB 1.751 43.786 42.059 -0.040 0.000 1.268 395 L HN 0.053 nan 8.230 nan 0.000 0.407 396 N N 3.083 121.786 118.700 0.005 0.000 2.406 396 N HA 0.475 5.217 4.740 0.004 0.000 0.251 396 N C -0.875 174.738 175.510 0.172 0.000 1.069 396 N CA -0.343 52.759 53.050 0.086 0.000 0.947 396 N CB 1.093 39.614 38.487 0.056 0.000 1.111 396 N HN 0.439 nan 8.380 nan 0.000 0.497 397 V N 0.383 120.504 119.914 0.344 0.000 3.126 397 V HA 0.727 4.849 4.120 0.004 0.000 0.314 397 V C -0.155 176.303 176.094 0.607 0.000 1.138 397 V CA -0.950 61.600 62.300 0.417 0.000 1.034 397 V CB 1.614 33.667 31.823 0.383 0.000 1.075 397 V HN 0.486 nan 8.190 nan 0.000 0.442 398 S N 3.336 119.301 115.700 0.442 0.000 2.451 398 S HA 0.666 5.139 4.470 0.004 0.000 0.301 398 S C -2.676 172.012 174.600 0.147 0.000 1.116 398 S CA -0.965 57.403 58.200 0.281 0.000 1.093 398 S CB 1.566 64.987 63.200 0.369 0.000 1.017 398 S HN 0.883 nan 8.310 nan 0.000 0.482 399 P HA 0.242 nan 4.420 nan 0.000 0.288 399 P C 0.964 178.125 177.300 -0.231 0.000 1.267 399 P CA -0.403 62.325 63.100 -0.620 0.000 0.815 399 P CB 0.980 32.161 31.700 -0.866 0.000 0.989 400 G N 2.715 111.377 108.800 -0.230 0.000 2.545 400 G HA2 -0.349 3.614 3.960 0.004 0.000 0.222 400 G HA3 -0.349 3.614 3.960 0.004 0.000 0.222 400 G C 1.566 176.556 174.900 0.149 0.000 1.126 400 G CA 1.465 46.668 45.100 0.172 0.000 0.754 400 G HN 0.623 nan 8.290 nan 0.000 0.583 401 S N 0.169 115.858 115.700 -0.019 0.000 2.419 401 S HA -0.067 4.406 4.470 0.004 0.000 0.233 401 S C 2.350 176.640 174.600 -0.517 0.000 1.016 401 S CA 1.620 59.686 58.200 -0.223 0.000 0.974 401 S CB -0.363 62.704 63.200 -0.222 0.000 0.786 401 S HN 0.231 nan 8.310 nan 0.000 0.492 402 S N 1.154 116.405 115.700 -0.749 0.000 2.419 402 S HA 0.109 4.581 4.470 0.004 0.000 0.233 402 S C 0.689 174.628 174.600 -1.101 0.000 1.016 402 S CA 1.020 58.440 58.200 -1.301 0.000 0.974 402 S CB -0.428 61.987 63.200 -1.307 0.000 0.786 402 S HN 0.688 nan 8.310 nan 0.000 0.492 403 F N 1.110 120.759 119.950 -0.503 0.000 2.641 403 F HA 0.308 4.838 4.527 0.004 0.000 0.302 403 F C 0.646 176.082 175.800 -0.607 0.000 1.098 403 F CA -0.269 57.418 58.000 -0.522 0.000 1.318 403 F CB -0.014 38.756 39.000 -0.384 0.000 1.035 403 F HN -0.091 nan 8.300 nan 0.000 0.551 404 E N -1.185 118.778 120.200 -0.395 0.000 3.070 404 E HA -0.278 4.074 4.350 0.004 0.000 0.285 404 E C 0.361 176.896 176.600 -0.109 0.000 0.972 404 E CA 0.479 56.685 56.400 -0.322 0.000 0.915 404 E CB -2.014 27.397 29.700 -0.481 0.000 1.466 404 E HN 0.432 nan 8.360 nan 0.000 0.432 405 C N 0.902 120.210 119.300 0.014 0.000 2.611 405 C HA 0.031 4.494 4.460 0.004 0.000 0.416 405 C C 1.926 177.092 174.990 0.293 0.000 1.366 405 C CA 0.470 59.594 59.018 0.177 0.000 1.761 405 C CB -0.004 27.930 27.740 0.324 0.000 2.619 405 C HN 0.376 nan 8.230 nan 0.000 0.606 406 Q N 1.807 121.812 119.800 0.343 0.000 2.360 406 Q HA 0.081 4.423 4.340 0.004 0.000 0.202 406 Q C 0.204 176.477 176.000 0.455 0.000 0.915 406 Q CA 0.516 56.555 55.803 0.393 0.000 0.943 406 Q CB 0.171 29.084 28.738 0.292 0.000 1.064 406 Q HN 0.901 nan 8.270 nan 0.000 0.511 407 E N 0.155 120.614 120.200 0.432 0.000 2.224 407 E HA 0.411 4.763 4.350 0.004 0.000 0.265 407 E C -2.818 173.911 176.600 0.214 0.000 0.878 407 E CA -2.600 53.956 56.400 0.260 0.000 0.759 407 E CB 1.634 31.530 29.700 0.327 0.000 1.164 407 E HN -0.231 nan 8.360 nan 0.000 0.414 408 P HA 0.155 nan 4.420 nan 0.000 0.271 408 P C 0.698 177.976 177.300 -0.037 0.000 1.233 408 P CA 0.882 63.805 63.100 -0.294 0.000 0.789 408 P CB 0.625 31.942 31.700 -0.639 0.000 0.951 409 G N -1.988 106.760 108.800 -0.086 0.000 2.194 409 G HA2 -0.180 3.783 3.960 0.004 0.000 0.236 409 G HA3 -0.180 3.783 3.960 0.004 0.000 0.236 409 G C -0.675 174.024 174.900 -0.336 0.000 0.987 409 G CA -0.631 44.374 45.100 -0.158 0.000 0.635 409 G HN 0.359 nan 8.290 nan 0.000 0.520 410 W N -0.135 120.984 121.300 -0.301 0.000 2.496 410 W HA 0.805 5.467 4.660 0.004 0.000 0.327 410 W C -0.240 175.780 176.519 -0.833 0.000 1.086 410 W CA -0.914 56.068 57.345 -0.606 0.000 1.222 410 W CB 0.801 29.642 29.460 -1.032 0.000 1.304 410 W HN -0.009 nan 8.180 nan 0.000 0.547 411 F N 1.555 121.236 119.950 -0.448 0.000 2.569 411 F HA 0.432 4.961 4.527 0.005 0.000 0.312 411 F C 0.165 175.862 175.800 -0.171 0.000 1.109 411 F CA -1.472 56.398 58.000 -0.216 0.000 0.919 411 F CB 1.830 40.820 39.000 -0.017 0.000 1.211 411 F HN 0.132 nan 8.300 nan 0.000 0.446 412 R N 2.219 122.827 120.500 0.180 0.000 2.297 412 R HA 0.750 5.092 4.340 0.004 0.000 0.308 412 R C -1.785 174.653 176.300 0.230 0.000 1.029 412 R CA -0.347 55.883 56.100 0.215 0.000 0.929 412 R CB 1.071 31.360 30.300 -0.019 0.000 1.046 412 R HN 0.556 nan 8.270 nan 0.000 0.461 413 V N 5.223 125.276 119.914 0.232 0.000 2.409 413 V HA 0.239 4.362 4.120 0.004 0.000 0.290 413 V C -0.281 175.835 176.094 0.037 0.000 1.017 413 V CA -0.960 61.450 62.300 0.182 0.000 0.841 413 V CB 1.394 33.389 31.823 0.285 0.000 1.003 413 V HN 0.878 nan 8.190 nan 0.000 0.426 414 C N 6.141 125.434 119.300 -0.012 0.000 2.499 414 C HA 0.416 4.878 4.460 0.004 0.000 0.386 414 C C 0.949 175.811 174.990 -0.213 0.000 1.293 414 C CA -0.391 58.551 59.018 -0.128 0.000 1.884 414 C CB -0.764 26.991 27.740 0.024 0.000 2.509 414 C HN 0.900 nan 8.230 nan 0.000 0.566 415 F N 0.023 119.894 119.950 -0.131 0.000 2.764 415 F HA 0.554 5.084 4.527 0.004 0.000 0.310 415 F C 0.837 176.556 175.800 -0.136 0.000 1.124 415 F CA -0.834 57.010 58.000 -0.260 0.000 1.252 415 F CB -0.812 37.897 39.000 -0.485 0.000 1.010 415 F HN 0.436 nan 8.300 nan 0.000 0.518 416 A N 0.865 123.763 122.820 0.130 0.000 2.470 416 A HA 0.214 4.537 4.320 0.004 0.000 0.251 416 A C 1.233 178.865 177.584 0.079 0.000 1.245 416 A CA 0.179 52.300 52.037 0.140 0.000 0.932 416 A CB -0.500 18.568 19.000 0.114 0.000 1.037 416 A HN 0.424 nan 8.150 nan 0.000 0.522 417 N N 0.085 118.817 118.700 0.054 0.000 2.205 417 N HA 0.112 4.854 4.740 0.004 0.000 0.201 417 N C 0.394 175.927 175.510 0.040 0.000 1.128 417 N CA 0.037 53.113 53.050 0.044 0.000 0.867 417 N CB 0.215 38.721 38.487 0.030 0.000 0.996 417 N HN 0.530 nan 8.380 nan 0.000 0.503 418 M N 0.019 119.642 119.600 0.038 0.000 2.704 418 M HA 0.474 4.956 4.480 0.004 0.000 0.284 418 M C -1.701 174.624 176.300 0.042 0.000 1.275 418 M CA -0.641 54.684 55.300 0.042 0.000 0.811 418 M CB 1.516 34.135 32.600 0.031 0.000 1.741 418 M HN -0.158 nan 8.290 nan 0.000 0.458 419 D N 0.202 120.630 120.400 0.048 0.000 2.423 419 D HA 0.254 4.896 4.640 0.004 0.000 0.255 419 D C 0.264 176.590 176.300 0.044 0.000 1.174 419 D CA -0.132 53.893 54.000 0.043 0.000 1.008 419 D CB 0.524 41.349 40.800 0.042 0.000 1.101 419 D HN 0.544 nan 8.370 nan 0.000 0.516 420 D N 0.554 120.978 120.400 0.039 0.000 2.116 420 D HA -0.149 4.494 4.640 0.004 0.000 0.193 420 D C 2.028 178.368 176.300 0.068 0.000 0.998 420 D CA 1.979 56.010 54.000 0.051 0.000 0.836 420 D CB -0.705 40.105 40.800 0.016 0.000 0.951 420 D HN 0.703 nan 8.370 nan 0.000 0.449 421 G N 0.462 109.296 108.800 0.056 0.000 2.446 421 G HA2 -0.276 3.686 3.960 0.004 0.000 0.217 421 G HA3 -0.276 3.686 3.960 0.004 0.000 0.217 421 G C 1.711 176.646 174.900 0.058 0.000 1.168 421 G CA 1.745 46.883 45.100 0.063 0.000 0.771 421 G HN 0.257 nan 8.290 nan 0.000 0.551 422 T N 0.878 115.465 114.554 0.056 0.000 2.746 422 T HA -0.095 4.257 4.350 0.004 0.000 0.267 422 T C 2.476 177.152 174.700 -0.041 0.000 1.039 422 T CA 1.109 63.205 62.100 -0.007 0.000 1.142 422 T CB -0.313 68.576 68.868 0.034 0.000 0.866 422 T HN 0.057 nan 8.240 nan 0.000 0.444 423 V N 2.199 122.121 119.914 0.013 0.000 2.469 423 V HA -0.173 3.949 4.120 0.004 0.000 0.251 423 V C 2.303 178.437 176.094 0.068 0.000 1.064 423 V CA 1.623 63.944 62.300 0.034 0.000 1.066 423 V CB -0.496 31.370 31.823 0.072 0.000 0.667 423 V HN 0.484 nan 8.190 nan 0.000 0.461 424 D N -0.396 120.047 120.400 0.071 0.000 2.194 424 D HA -0.004 4.638 4.640 0.004 0.000 0.204 424 D C 2.116 178.426 176.300 0.017 0.000 0.964 424 D CA 0.943 54.981 54.000 0.064 0.000 0.846 424 D CB 0.154 41.011 40.800 0.096 0.000 0.962 424 D HN 0.396 nan 8.370 nan 0.000 0.490 425 I N 1.410 121.969 120.570 -0.018 0.000 2.202 425 I HA -0.229 3.944 4.170 0.004 0.000 0.242 425 I C 2.600 178.676 176.117 -0.069 0.000 1.091 425 I CA 0.796 62.061 61.300 -0.059 0.000 1.368 425 I CB -0.182 37.734 38.000 -0.140 0.000 1.058 425 I HN -0.101 nan 8.210 nan 0.000 0.410 426 A N 1.062 123.836 122.820 -0.076 0.000 1.883 426 A HA -0.210 4.112 4.320 0.004 0.000 0.217 426 A C 2.310 179.913 177.584 0.032 0.000 1.186 426 A CA 1.563 53.582 52.037 -0.029 0.000 0.624 426 A CB -0.981 18.024 19.000 0.009 0.000 0.822 426 A HN 0.382 nan 8.150 nan 0.000 0.444 427 L N -0.915 120.339 121.223 0.051 0.000 2.042 427 L HA -0.250 4.092 4.340 0.004 0.000 0.210 427 L C 3.116 179.970 176.870 -0.026 0.000 1.076 427 L CA 1.179 56.016 54.840 -0.004 0.000 0.749 427 L CB -0.509 41.517 42.059 -0.055 0.000 0.893 427 L HN 0.476 nan 8.230 nan 0.000 0.432 428 A N -0.113 122.698 122.820 -0.015 0.000 1.902 428 A HA -0.197 4.126 4.320 0.004 0.000 0.217 428 A C 2.354 179.938 177.584 -0.001 0.000 1.181 428 A CA 1.369 53.399 52.037 -0.011 0.000 0.623 428 A CB -0.454 18.543 19.000 -0.005 0.000 0.818 428 A HN 0.315 nan 8.150 nan 0.000 0.443 429 R N -0.533 119.966 120.500 -0.001 0.000 2.091 429 R HA -0.092 4.250 4.340 0.004 0.000 0.238 429 R C 1.971 178.306 176.300 0.058 0.000 1.136 429 R CA 1.712 57.819 56.100 0.011 0.000 0.959 429 R CB -0.513 29.774 30.300 -0.021 0.000 0.856 429 R HN 0.578 nan 8.270 nan 0.000 0.437 430 I N -0.052 120.550 120.570 0.052 0.000 2.353 430 I HA -0.220 3.953 4.170 0.004 0.000 0.248 430 I C 2.738 178.877 176.117 0.037 0.000 1.119 430 I CA 0.905 62.259 61.300 0.091 0.000 1.417 430 I CB -0.251 37.768 38.000 0.031 0.000 1.078 430 I HN 0.150 nan 8.210 nan 0.000 0.421 431 R N 1.147 121.641 120.500 -0.011 0.000 2.073 431 R HA -0.233 4.109 4.340 0.004 0.000 0.234 431 R C 2.477 178.763 176.300 -0.024 0.000 1.134 431 R CA 1.663 57.737 56.100 -0.042 0.000 0.952 431 R CB -0.131 30.142 30.300 -0.045 0.000 0.850 431 R HN 0.121 nan 8.270 nan 0.000 0.433 432 R N 0.454 120.963 120.500 0.016 0.000 2.088 432 R HA -0.206 4.136 4.340 0.004 0.000 0.232 432 R C 2.010 178.351 176.300 0.068 0.000 1.136 432 R CA 2.251 58.371 56.100 0.033 0.000 0.926 432 R CB -1.446 28.881 30.300 0.045 0.000 0.837 432 R HN 0.302 nan 8.270 nan 0.000 0.429 433 F N 0.751 120.670 119.950 -0.052 0.000 2.115 433 F HA -0.204 4.325 4.527 0.004 0.000 0.300 433 F C 1.801 177.566 175.800 -0.059 0.000 1.092 433 F CA 1.930 59.897 58.000 -0.055 0.000 1.245 433 F CB -0.771 38.190 39.000 -0.066 0.000 0.995 433 F HN -0.024 nan 8.300 nan 0.000 0.481 434 V N 0.709 120.394 119.914 -0.382 0.000 2.270 434 V HA -0.176 3.946 4.120 0.004 0.000 0.245 434 V C 2.864 178.790 176.094 -0.281 0.000 1.043 434 V CA 1.906 63.913 62.300 -0.488 0.000 1.014 434 V CB -1.723 29.912 31.823 -0.312 0.000 0.645 434 V HN 0.532 nan 8.190 nan 0.000 0.447 435 G N 0.479 109.183 108.800 -0.159 0.000 2.553 435 G HA2 -0.230 3.732 3.960 0.004 0.000 0.218 435 G HA3 -0.230 3.732 3.960 0.004 0.000 0.218 435 G C 1.138 175.981 174.900 -0.095 0.000 1.195 435 G CA 1.260 46.296 45.100 -0.106 0.000 0.779 435 G HN 0.456 nan 8.290 nan 0.000 0.577 436 V N 1.295 121.169 119.914 -0.066 0.000 3.070 436 V HA 0.169 4.291 4.120 0.004 0.000 0.359 436 V C 0.693 176.755 176.094 -0.054 0.000 1.438 436 V CA 0.863 63.143 62.300 -0.033 0.000 1.571 436 V CB -0.644 31.190 31.823 0.019 0.000 1.246 436 V HN 0.387 nan 8.190 nan 0.000 0.463 437 E N 0.765 120.898 120.200 -0.111 0.000 2.904 437 E HA 0.265 4.618 4.350 0.004 0.000 0.162 437 E C -0.123 176.404 176.600 -0.122 0.000 0.909 437 E CA -0.012 56.308 56.400 -0.133 0.000 1.368 437 E CB 1.047 30.577 29.700 -0.284 0.000 1.007 437 E HN 0.678 nan 8.360 nan 0.000 0.451 438 K N 0.000 120.343 120.400 -0.094 0.000 2.780 438 K HA 0.000 4.322 4.320 0.004 0.000 0.191 438 K CA 0.000 56.239 56.287 -0.080 0.000 0.838 438 K CB 0.000 32.441 32.500 -0.098 0.000 1.064 438 K HN 0.000 nan 8.250 nan 0.000 0.543