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 1c3u_1_A DATA FIRST_RESID 2 DATA SEQUENCE VERYSLSPMK DLWTEEAKYR RWLEVELAVT RAYEELGMIP KGVTERIRNN DATA SEQUENCE AKIDVELFKK IEEKTNHDVV AFVEGIGSMI GEDSRFFHYG LTSSDVLDTA DATA SEQUENCE NSLALVEAGK ILLESLKEFC DVLWEVANRY KHTPTIGRTH GVHAEPTSFG DATA SEQUENCE LKVLGWYSEM KRNVQRLERA IEEVSYGKIS GAVGNYANVP PEVEEKALSY DATA SEQUENCE LGLKPEPVST QVVPRDRHAF YLSTLAIVAA GIERIAVEIR HLQRTEVLEV DATA SEQUENCE EEPFRXXXXX XSAMPHKKNP ITCERLTGLS RMMRAYVDPS LENIALWHER DATA SEQUENCE DISHSSVERY VFPDATQTLY YMIVTATNVV RNMKVNEERM KKNIDLTKGL DATA SEQUENCE VFSQRVLLKL IEKGLTRKEA YDIVQRNALK TWNSEKHFLE YLLEDEEVKK DATA SEQUENCE LVTKEELEEL FDISYYLKHV DHIFERFEK 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.948 176.094 -0.243 0.000 1.182 2 V CA 0.000 62.275 62.300 -0.042 0.000 1.235 2 V CB 0.000 31.848 31.823 0.042 0.000 1.184 3 E N 0.815 120.897 120.200 -0.196 0.000 2.153 3 E HA -0.234 4.156 4.350 0.066 0.000 0.194 3 E C 2.054 178.488 176.600 -0.277 0.000 0.988 3 E CA 1.604 57.907 56.400 -0.162 0.000 0.811 3 E CB -0.594 29.050 29.700 -0.093 0.000 0.746 3 E HN 0.663 nan 8.360 nan 0.000 0.466 4 R N -1.025 119.206 120.500 -0.447 0.000 2.265 4 R HA -0.236 4.144 4.340 0.066 0.000 0.256 4 R C 1.597 177.446 176.300 -0.752 0.000 1.120 4 R CA 2.507 58.212 56.100 -0.659 0.000 0.956 4 R CB -0.707 28.976 30.300 -1.028 0.000 0.925 4 R HN 0.733 nan 8.270 nan 0.000 0.448 5 Y N -0.466 119.691 120.300 -0.239 0.000 2.636 5 Y HA 0.237 4.828 4.550 0.068 0.000 0.260 5 Y C 0.455 176.396 175.900 0.068 0.000 1.177 5 Y CA -0.451 57.478 58.100 -0.286 0.000 1.209 5 Y CB 0.211 38.286 38.460 -0.642 0.000 1.166 5 Y HN -0.093 nan 8.280 nan 0.000 0.531 6 S N 1.713 117.487 115.700 0.123 0.000 2.505 6 S HA 0.583 5.093 4.470 0.066 0.000 0.276 6 S C -0.612 174.130 174.600 0.237 0.000 1.274 6 S CA -0.484 57.839 58.200 0.205 0.000 1.053 6 S CB 0.722 63.998 63.200 0.128 0.000 0.919 6 S HN 0.354 nan 8.310 nan 0.000 0.490 7 L N 2.581 124.000 121.223 0.326 0.000 2.385 7 L HA 0.431 4.810 4.340 0.066 0.000 0.273 7 L C 0.380 177.408 176.870 0.264 0.000 0.990 7 L CA -0.798 54.235 54.840 0.323 0.000 0.821 7 L CB 2.070 44.390 42.059 0.434 0.000 1.279 7 L HN 0.636 nan 8.230 nan 0.000 0.412 8 S N 2.974 118.779 115.700 0.174 0.000 2.554 8 S HA 0.012 4.522 4.470 0.066 0.000 0.290 8 S C -1.274 173.389 174.600 0.105 0.000 1.309 8 S CA -0.593 57.669 58.200 0.103 0.000 1.047 8 S CB 0.489 63.734 63.200 0.075 0.000 0.828 8 S HN 0.570 nan 8.310 nan 0.000 0.509 9 P HA -0.030 nan 4.420 nan 0.000 0.233 9 P C 1.117 178.320 177.300 -0.161 0.000 1.167 9 P CA 0.513 63.560 63.100 -0.089 0.000 0.770 9 P CB 0.104 31.747 31.700 -0.094 0.000 0.837 10 M N 1.953 121.390 119.600 -0.271 0.000 2.132 10 M HA -0.135 4.385 4.480 0.066 0.000 0.263 10 M C 2.038 178.367 176.300 0.048 0.000 1.065 10 M CA 1.855 57.048 55.300 -0.177 0.000 1.122 10 M CB -0.709 31.749 32.600 -0.237 0.000 1.365 10 M HN -0.108 nan 8.290 nan 0.000 0.411 11 K N -1.409 119.057 120.400 0.109 0.000 2.217 11 K HA -0.115 4.245 4.320 0.066 0.000 0.202 11 K C 1.214 177.865 176.600 0.085 0.000 1.051 11 K CA 1.511 57.904 56.287 0.177 0.000 0.952 11 K CB -0.710 31.884 32.500 0.157 0.000 0.736 11 K HN 0.322 nan 8.250 nan 0.000 0.453 12 D N 1.450 121.853 120.400 0.005 0.000 2.182 12 D HA -0.153 4.526 4.640 0.066 0.000 0.201 12 D C 1.865 178.083 176.300 -0.136 0.000 0.986 12 D CA 0.855 54.828 54.000 -0.045 0.000 0.847 12 D CB -0.066 40.703 40.800 -0.052 0.000 0.942 12 D HN 0.134 nan 8.370 nan 0.000 0.467 13 L N -0.642 120.421 121.223 -0.267 0.000 2.127 13 L HA -0.148 4.231 4.340 0.066 0.000 0.211 13 L C 1.215 177.686 176.870 -0.665 0.000 1.089 13 L CA 1.428 55.914 54.840 -0.590 0.000 0.757 13 L CB -0.549 40.921 42.059 -0.981 0.000 0.899 13 L HN 0.186 nan 8.230 nan 0.000 0.434 14 W N -1.001 120.282 121.300 -0.028 0.000 2.862 14 W HA 0.288 4.985 4.660 0.061 0.000 0.426 14 W C 0.949 177.435 176.519 -0.055 0.000 0.950 14 W CA -0.313 57.011 57.345 -0.035 0.000 2.150 14 W CB -0.445 29.009 29.460 -0.011 0.000 1.161 14 W HN -0.047 nan 8.180 nan 0.000 0.696 15 T N -2.968 111.618 114.554 0.055 0.000 2.847 15 T HA 0.165 4.555 4.350 0.066 0.000 0.279 15 T C 1.291 175.969 174.700 -0.038 0.000 0.984 15 T CA -0.441 61.673 62.100 0.024 0.000 0.988 15 T CB 1.681 70.555 68.868 0.009 0.000 1.040 15 T HN -0.074 nan 8.240 nan 0.000 0.528 16 E N 0.512 120.685 120.200 -0.045 0.000 2.058 16 E HA -0.193 4.197 4.350 0.066 0.000 0.194 16 E C 1.919 178.478 176.600 -0.069 0.000 0.997 16 E CA 1.554 57.883 56.400 -0.118 0.000 0.801 16 E CB -0.396 29.308 29.700 0.007 0.000 0.746 16 E HN 0.930 nan 8.360 nan 0.000 0.450 17 E N 0.440 120.675 120.200 0.059 0.000 2.049 17 E HA -0.222 4.168 4.350 0.066 0.000 0.198 17 E C 1.979 178.589 176.600 0.017 0.000 1.007 17 E CA 1.331 57.795 56.400 0.107 0.000 0.809 17 E CB -0.067 29.673 29.700 0.068 0.000 0.749 17 E HN 0.194 nan 8.360 nan 0.000 0.450 18 A N 1.317 124.101 122.820 -0.060 0.000 1.972 18 A HA -0.222 4.138 4.320 0.066 0.000 0.219 18 A C 2.091 179.561 177.584 -0.190 0.000 1.169 18 A CA 1.735 53.705 52.037 -0.111 0.000 0.635 18 A CB -0.489 18.416 19.000 -0.159 0.000 0.810 18 A HN 0.231 nan 8.150 nan 0.000 0.446 19 K N -1.292 118.927 120.400 -0.301 0.000 2.002 19 K HA -0.176 4.183 4.320 0.066 0.000 0.209 19 K C 1.821 177.921 176.600 -0.834 0.000 1.048 19 K CA 1.771 57.728 56.287 -0.550 0.000 0.930 19 K CB -0.381 31.703 32.500 -0.694 0.000 0.714 19 K HN 0.579 nan 8.250 nan 0.000 0.438 20 Y N 0.618 120.564 120.300 -0.590 0.000 2.224 20 Y HA -0.141 4.449 4.550 0.067 0.000 0.289 20 Y C 2.541 178.375 175.900 -0.111 0.000 1.146 20 Y CA 1.186 59.003 58.100 -0.473 0.000 1.182 20 Y CB -0.007 38.450 38.460 -0.005 0.000 0.983 20 Y HN 0.071 nan 8.280 nan 0.000 0.524 21 R N 0.073 120.636 120.500 0.104 0.000 2.091 21 R HA -0.164 4.216 4.340 0.066 0.000 0.238 21 R C 2.292 178.658 176.300 0.109 0.000 1.136 21 R CA 1.503 57.682 56.100 0.132 0.000 0.959 21 R CB -0.294 30.053 30.300 0.077 0.000 0.856 21 R HN 0.345 nan 8.270 nan 0.000 0.437 22 R N -0.498 120.017 120.500 0.025 0.000 2.096 22 R HA -0.157 4.223 4.340 0.066 0.000 0.235 22 R C 1.975 178.415 176.300 0.233 0.000 1.127 22 R CA 1.409 57.562 56.100 0.087 0.000 0.968 22 R CB -0.194 30.130 30.300 0.041 0.000 0.861 22 R HN 0.285 nan 8.270 nan 0.000 0.440 23 W N 0.943 122.173 121.300 -0.116 0.000 2.338 23 W HA -0.124 4.575 4.660 0.064 0.000 0.304 23 W C 2.045 178.592 176.519 0.047 0.000 1.212 23 W CA 0.368 57.576 57.345 -0.227 0.000 1.264 23 W CB -1.022 27.947 29.460 -0.819 0.000 1.142 23 W HN 0.099 nan 8.180 nan 0.000 0.512 24 L N 0.170 121.681 121.223 0.480 0.000 2.056 24 L HA -0.195 4.185 4.340 0.066 0.000 0.207 24 L C 2.402 179.486 176.870 0.357 0.000 1.078 24 L CA 1.755 56.943 54.840 0.580 0.000 0.749 24 L CB -0.646 41.720 42.059 0.512 0.000 0.901 24 L HN 0.025 nan 8.230 nan 0.000 0.433 25 E N -0.609 119.744 120.200 0.254 0.000 2.070 25 E HA -0.246 4.143 4.350 0.066 0.000 0.197 25 E C 2.118 178.818 176.600 0.166 0.000 1.004 25 E CA 1.923 58.430 56.400 0.178 0.000 0.805 25 E CB 0.068 29.847 29.700 0.130 0.000 0.744 25 E HN 0.358 nan 8.360 nan 0.000 0.451 26 V N 1.601 121.613 119.914 0.164 0.000 2.295 26 V HA -0.240 3.920 4.120 0.066 0.000 0.246 26 V C 2.262 178.424 176.094 0.114 0.000 1.049 26 V CA 1.825 64.196 62.300 0.119 0.000 1.024 26 V CB -0.469 31.403 31.823 0.082 0.000 0.648 26 V HN 0.242 nan 8.190 nan 0.000 0.447 27 E N 0.084 120.374 120.200 0.151 0.000 2.077 27 E HA -0.177 4.213 4.350 0.066 0.000 0.193 27 E C 2.212 178.888 176.600 0.127 0.000 0.989 27 E CA 1.186 57.618 56.400 0.053 0.000 0.800 27 E CB -0.303 29.387 29.700 -0.018 0.000 0.746 27 E HN 0.521 nan 8.360 nan 0.000 0.452 28 L N 0.383 121.734 121.223 0.214 0.000 2.156 28 L HA -0.086 4.294 4.340 0.066 0.000 0.208 28 L C 2.498 179.456 176.870 0.146 0.000 1.095 28 L CA 0.804 55.761 54.840 0.196 0.000 0.770 28 L CB -0.399 41.768 42.059 0.180 0.000 0.914 28 L HN 0.051 nan 8.230 nan 0.000 0.439 29 A N -0.437 122.477 122.820 0.156 0.000 1.930 29 A HA -0.117 4.243 4.320 0.066 0.000 0.217 29 A C 2.299 180.018 177.584 0.224 0.000 1.175 29 A CA 1.479 53.651 52.037 0.225 0.000 0.627 29 A CB -0.600 18.544 19.000 0.239 0.000 0.815 29 A HN 0.186 nan 8.150 nan 0.000 0.443 30 V N 0.552 120.550 119.914 0.140 0.000 2.379 30 V HA -0.200 3.959 4.120 0.066 0.000 0.245 30 V C 3.003 179.215 176.094 0.197 0.000 1.044 30 V CA 2.349 64.707 62.300 0.096 0.000 1.036 30 V CB -1.225 30.629 31.823 0.052 0.000 0.664 30 V HN 0.839 nan 8.190 nan 0.000 0.453 31 T N -0.947 113.747 114.554 0.233 0.000 2.821 31 T HA -0.262 4.128 4.350 0.066 0.000 0.267 31 T C 1.966 176.792 174.700 0.209 0.000 1.046 31 T CA 1.512 63.783 62.100 0.285 0.000 1.139 31 T CB -0.399 68.621 68.868 0.253 0.000 0.871 31 T HN 0.404 nan 8.240 nan 0.000 0.454 32 R N 1.345 121.932 120.500 0.144 0.000 2.105 32 R HA 0.012 4.392 4.340 0.066 0.000 0.239 32 R C 2.665 179.065 176.300 0.168 0.000 1.135 32 R CA 1.400 57.541 56.100 0.068 0.000 0.967 32 R CB -0.746 29.472 30.300 -0.137 0.000 0.861 32 R HN 0.508 nan 8.270 nan 0.000 0.442 33 A N -0.066 122.914 122.820 0.267 0.000 1.873 33 A HA -0.163 4.197 4.320 0.066 0.000 0.215 33 A C 1.981 179.626 177.584 0.100 0.000 1.186 33 A CA 1.187 53.343 52.037 0.198 0.000 0.616 33 A CB -0.903 18.120 19.000 0.040 0.000 0.823 33 A HN 0.511 nan 8.150 nan 0.000 0.442 34 Y N -0.337 120.014 120.300 0.086 0.000 2.165 34 Y HA -0.242 4.349 4.550 0.068 0.000 0.286 34 Y C 2.606 178.509 175.900 0.004 0.000 1.155 34 Y CA 1.734 59.863 58.100 0.048 0.000 1.164 34 Y CB -0.023 38.469 38.460 0.052 0.000 0.978 34 Y HN 0.519 nan 8.280 nan 0.000 0.513 35 E N 0.539 120.836 120.200 0.162 0.000 2.072 35 E HA -0.219 4.171 4.350 0.066 0.000 0.191 35 E C 1.726 178.351 176.600 0.041 0.000 0.985 35 E CA 1.274 57.699 56.400 0.042 0.000 0.801 35 E CB -0.040 29.660 29.700 0.001 0.000 0.750 35 E HN 0.538 nan 8.360 nan 0.000 0.452 36 E N -0.182 120.059 120.200 0.068 0.000 2.268 36 E HA -0.137 4.252 4.350 0.066 0.000 0.195 36 E C 1.469 178.102 176.600 0.054 0.000 0.995 36 E CA 0.272 56.709 56.400 0.062 0.000 0.836 36 E CB 0.194 29.956 29.700 0.105 0.000 0.763 36 E HN 0.234 nan 8.360 nan 0.000 0.491 37 L N -0.548 120.714 121.223 0.065 0.000 2.591 37 L HA 0.145 4.524 4.340 0.066 0.000 0.228 37 L C 1.401 178.299 176.870 0.047 0.000 1.133 37 L CA 1.098 55.969 54.840 0.052 0.000 0.880 37 L CB -0.350 41.743 42.059 0.057 0.000 1.033 37 L HN 0.239 nan 8.230 nan 0.000 0.450 38 G N -0.876 107.946 108.800 0.036 0.000 2.141 38 G HA2 -0.345 3.655 3.960 0.066 0.000 0.242 38 G HA3 -0.345 3.655 3.960 0.066 0.000 0.242 38 G C 1.030 175.935 174.900 0.009 0.000 0.982 38 G CA 0.652 45.759 45.100 0.011 0.000 0.662 38 G HN 0.343 nan 8.290 nan 0.000 0.527 39 M N -0.159 119.466 119.600 0.041 0.000 2.492 39 M HA 0.391 4.911 4.480 0.066 0.000 0.255 39 M C 1.195 177.441 176.300 -0.090 0.000 1.139 39 M CA 0.876 56.201 55.300 0.042 0.000 1.096 39 M CB 0.272 32.997 32.600 0.208 0.000 1.360 39 M HN 0.555 nan 8.290 nan 0.000 0.480 40 I N -3.545 116.924 120.570 -0.169 0.000 2.969 40 I HA 0.629 4.839 4.170 0.066 0.000 0.307 40 I C -2.799 173.086 176.117 -0.386 0.000 1.149 40 I CA -2.684 58.351 61.300 -0.442 0.000 1.008 40 I CB 1.478 39.073 38.000 -0.674 0.000 1.232 40 I HN -0.274 nan 8.210 nan 0.000 0.435 41 P HA 0.136 nan 4.420 nan 0.000 0.267 41 P C -0.416 176.758 177.300 -0.211 0.000 1.200 41 P CA -0.034 62.897 63.100 -0.282 0.000 0.772 41 P CB 0.254 31.795 31.700 -0.266 0.000 0.855 42 K N 1.404 121.732 120.400 -0.120 0.000 2.484 42 K HA 0.391 4.751 4.320 0.066 0.000 0.280 42 K C 1.359 177.916 176.600 -0.071 0.000 1.013 42 K CA 0.271 56.510 56.287 -0.079 0.000 1.029 42 K CB -1.198 31.272 32.500 -0.050 0.000 0.902 42 K HN 0.929 nan 8.250 nan 0.000 0.481 43 G N 0.203 108.970 108.800 -0.056 0.000 2.254 43 G HA2 -0.281 3.719 3.960 0.066 0.000 0.225 43 G HA3 -0.281 3.719 3.960 0.066 0.000 0.225 43 G C 1.451 176.335 174.900 -0.026 0.000 1.003 43 G CA 0.556 45.635 45.100 -0.035 0.000 0.622 43 G HN 1.081 nan 8.290 nan 0.000 0.507 44 V N 1.353 121.233 119.914 -0.058 0.000 2.282 44 V HA -0.236 3.924 4.120 0.066 0.000 0.249 44 V C 2.972 179.092 176.094 0.044 0.000 1.057 44 V CA 3.303 65.594 62.300 -0.016 0.000 1.032 44 V CB -1.110 30.647 31.823 -0.111 0.000 0.645 44 V HN 0.564 nan 8.190 nan 0.000 0.447 45 T N -0.432 114.142 114.554 0.033 0.000 2.701 45 T HA -0.155 4.235 4.350 0.066 0.000 0.263 45 T C 2.213 176.944 174.700 0.051 0.000 1.040 45 T CA 1.898 64.035 62.100 0.063 0.000 1.147 45 T CB -0.479 68.410 68.868 0.034 0.000 0.865 45 T HN 0.761 nan 8.240 nan 0.000 0.426 46 E N 2.115 122.328 120.200 0.021 0.000 2.085 46 E HA -0.235 4.155 4.350 0.066 0.000 0.194 46 E C 2.115 178.731 176.600 0.027 0.000 0.994 46 E CA 1.564 57.975 56.400 0.018 0.000 0.801 46 E CB -0.755 28.947 29.700 0.003 0.000 0.743 46 E HN 0.573 nan 8.360 nan 0.000 0.453 47 R N -0.592 119.925 120.500 0.028 0.000 2.081 47 R HA 0.020 4.399 4.340 0.066 0.000 0.235 47 R C 2.626 178.947 176.300 0.034 0.000 1.131 47 R CA 1.588 57.705 56.100 0.028 0.000 0.960 47 R CB -0.462 29.857 30.300 0.031 0.000 0.856 47 R HN 0.488 nan 8.270 nan 0.000 0.436 48 I N 0.047 120.653 120.570 0.060 0.000 2.315 48 I HA -0.244 3.966 4.170 0.066 0.000 0.248 48 I C 2.733 178.888 176.117 0.063 0.000 1.117 48 I CA 0.947 62.283 61.300 0.059 0.000 1.404 48 I CB -0.291 37.791 38.000 0.137 0.000 1.071 48 I HN 0.159 nan 8.210 nan 0.000 0.419 49 R N 1.285 121.832 120.500 0.078 0.000 2.083 49 R HA -0.200 4.180 4.340 0.066 0.000 0.237 49 R C 2.019 178.347 176.300 0.047 0.000 1.137 49 R CA 1.932 58.074 56.100 0.071 0.000 0.951 49 R CB -0.145 30.190 30.300 0.059 0.000 0.851 49 R HN 0.373 nan 8.270 nan 0.000 0.434 50 N N 0.357 119.075 118.700 0.030 0.000 2.309 50 N HA -0.104 4.676 4.740 0.066 0.000 0.182 50 N C 0.975 176.491 175.510 0.011 0.000 1.018 50 N CA 0.975 54.036 53.050 0.019 0.000 0.876 50 N CB -0.200 38.294 38.487 0.012 0.000 0.972 50 N HN 0.323 nan 8.380 nan 0.000 0.434 51 N N 0.321 119.023 118.700 0.004 0.000 2.432 51 N HA 0.088 4.868 4.740 0.066 0.000 0.174 51 N C 0.090 175.587 175.510 -0.022 0.000 1.037 51 N CA 0.058 53.099 53.050 -0.015 0.000 0.892 51 N CB 0.298 38.767 38.487 -0.030 0.000 1.049 51 N HN 0.042 nan 8.380 nan 0.000 0.442 52 A N 2.295 125.108 122.820 -0.012 0.000 2.395 52 A HA 0.273 4.632 4.320 0.066 0.000 0.286 52 A C -0.059 177.557 177.584 0.053 0.000 1.193 52 A CA -0.003 52.028 52.037 -0.010 0.000 0.852 52 A CB 0.104 19.103 19.000 -0.001 0.000 1.118 52 A HN -0.098 nan 8.150 nan 0.000 0.524 53 K N 2.659 123.089 120.400 0.049 0.000 2.207 53 K HA 0.428 4.788 4.320 0.066 0.000 0.255 53 K C -0.498 176.173 176.600 0.119 0.000 0.941 53 K CA -0.890 55.431 56.287 0.056 0.000 0.825 53 K CB 1.604 34.100 32.500 -0.007 0.000 1.119 53 K HN 0.495 nan 8.250 nan 0.000 0.430 54 I N 2.473 123.122 120.570 0.132 0.000 2.406 54 I HA 0.024 4.234 4.170 0.066 0.000 0.293 54 I C 0.154 176.195 176.117 -0.127 0.000 1.101 54 I CA 0.056 61.459 61.300 0.172 0.000 1.334 54 I CB -0.458 37.674 38.000 0.219 0.000 1.421 54 I HN 0.449 nan 8.210 nan 0.000 0.513 55 D N 6.920 126.954 120.400 -0.609 0.000 2.408 55 D HA 0.207 4.887 4.640 0.066 0.000 0.261 55 D C 0.942 176.644 176.300 -0.995 0.000 1.190 55 D CA -0.426 53.165 54.000 -0.682 0.000 0.910 55 D CB 1.357 41.819 40.800 -0.564 0.000 1.097 55 D HN 0.178 nan 8.370 nan 0.000 0.522 56 V N 3.508 123.143 119.914 -0.464 0.000 2.252 56 V HA -0.254 3.905 4.120 0.066 0.000 0.249 56 V C 2.734 178.697 176.094 -0.219 0.000 1.056 56 V CA 2.810 64.964 62.300 -0.243 0.000 1.022 56 V CB -1.024 30.822 31.823 0.039 0.000 0.641 56 V HN 0.687 nan 8.190 nan 0.000 0.445 57 E N -0.057 120.035 120.200 -0.180 0.000 2.085 57 E HA -0.287 4.103 4.350 0.066 0.000 0.194 57 E C 2.074 178.586 176.600 -0.147 0.000 0.994 57 E CA 1.798 58.129 56.400 -0.115 0.000 0.801 57 E CB -0.800 28.846 29.700 -0.090 0.000 0.743 57 E HN 0.486 nan 8.360 nan 0.000 0.453 58 L N -0.261 120.798 121.223 -0.274 0.000 1.990 58 L HA -0.090 4.290 4.340 0.066 0.000 0.213 58 L C 2.542 179.354 176.870 -0.097 0.000 1.072 58 L CA 2.351 57.054 54.840 -0.227 0.000 0.755 58 L CB -0.673 41.193 42.059 -0.322 0.000 0.889 58 L HN 0.487 nan 8.230 nan 0.000 0.432 59 F N -0.578 119.305 119.950 -0.112 0.000 2.134 59 F HA -0.217 4.350 4.527 0.066 0.000 0.299 59 F C 2.334 178.153 175.800 0.033 0.000 1.097 59 F CA 0.597 58.545 58.000 -0.086 0.000 1.264 59 F CB -0.498 38.300 39.000 -0.337 0.000 1.001 59 F HN 0.031 nan 8.300 nan 0.000 0.479 60 K N 1.142 121.653 120.400 0.186 0.000 2.057 60 K HA -0.128 4.232 4.320 0.066 0.000 0.206 60 K C 2.366 179.029 176.600 0.105 0.000 1.050 60 K CA 1.557 57.939 56.287 0.158 0.000 0.935 60 K CB -0.982 31.588 32.500 0.118 0.000 0.715 60 K HN 0.286 nan 8.250 nan 0.000 0.439 61 K N 1.678 122.115 120.400 0.062 0.000 2.026 61 K HA -0.060 4.300 4.320 0.066 0.000 0.208 61 K C 2.245 178.884 176.600 0.065 0.000 1.048 61 K CA 1.631 57.945 56.287 0.045 0.000 0.929 61 K CB -1.035 31.472 32.500 0.013 0.000 0.713 61 K HN 0.175 nan 8.250 nan 0.000 0.439 62 I N 0.622 121.245 120.570 0.088 0.000 2.286 62 I HA -0.248 3.962 4.170 0.066 0.000 0.248 62 I C 2.798 178.985 176.117 0.117 0.000 1.115 62 I CA 1.711 63.071 61.300 0.099 0.000 1.392 62 I CB -0.208 37.866 38.000 0.123 0.000 1.065 62 I HN 0.552 nan 8.210 nan 0.000 0.418 63 E N 1.176 121.467 120.200 0.153 0.000 2.153 63 E HA -0.253 4.137 4.350 0.066 0.000 0.194 63 E C 2.246 178.913 176.600 0.113 0.000 0.988 63 E CA 1.457 57.953 56.400 0.159 0.000 0.811 63 E CB 0.093 29.913 29.700 0.200 0.000 0.746 63 E HN 0.568 nan 8.360 nan 0.000 0.466 64 E N 0.721 120.974 120.200 0.089 0.000 2.070 64 E HA -0.276 4.114 4.350 0.066 0.000 0.197 64 E C 2.018 178.653 176.600 0.058 0.000 1.004 64 E CA 2.348 58.786 56.400 0.064 0.000 0.805 64 E CB -1.141 28.589 29.700 0.049 0.000 0.744 64 E HN 0.446 nan 8.360 nan 0.000 0.451 65 K N -0.389 120.046 120.400 0.059 0.000 2.186 65 K HA 0.099 4.459 4.320 0.066 0.000 0.202 65 K C 2.374 179.009 176.600 0.059 0.000 1.052 65 K CA 1.593 57.910 56.287 0.050 0.000 0.965 65 K CB -0.877 31.648 32.500 0.041 0.000 0.746 65 K HN 0.392 nan 8.250 nan 0.000 0.457 66 T N -0.614 113.988 114.554 0.080 0.000 3.009 66 T HA 0.101 4.491 4.350 0.066 0.000 0.258 66 T C 1.348 176.116 174.700 0.115 0.000 1.063 66 T CA 1.839 63.994 62.100 0.093 0.000 1.139 66 T CB -0.793 68.142 68.868 0.112 0.000 0.890 66 T HN 1.075 nan 8.240 nan 0.000 0.471 67 N N 1.109 119.877 118.700 0.112 0.000 2.725 67 N HA -0.209 4.571 4.740 0.066 0.000 0.249 67 N C -0.028 175.568 175.510 0.143 0.000 1.103 67 N CA 1.408 54.520 53.050 0.104 0.000 0.707 67 N CB -2.624 35.907 38.487 0.073 0.000 1.043 67 N HN 0.743 nan 8.380 nan 0.000 0.553 68 H N -0.760 118.356 119.070 0.076 0.000 3.149 68 H HA 0.360 4.956 4.556 0.066 0.000 0.334 68 H C 0.613 176.020 175.328 0.132 0.000 1.000 68 H CA 0.226 56.321 56.048 0.078 0.000 1.415 68 H CB 1.515 31.308 29.762 0.052 0.000 1.819 68 H HN 0.386 nan 8.280 nan 0.000 0.486 69 D N 3.608 124.129 120.400 0.201 0.000 2.117 69 D HA -0.185 4.495 4.640 0.066 0.000 0.197 69 D C 1.748 178.391 176.300 0.573 0.000 0.987 69 D CA 1.659 55.894 54.000 0.392 0.000 0.829 69 D CB -0.358 40.659 40.800 0.361 0.000 0.961 69 D HN 0.283 nan 8.370 nan 0.000 0.460 70 V N -0.397 119.817 119.914 0.499 0.000 2.649 70 V HA -0.034 4.126 4.120 0.066 0.000 0.248 70 V C 2.197 178.409 176.094 0.196 0.000 1.054 70 V CA 0.800 63.234 62.300 0.222 0.000 1.073 70 V CB -0.250 31.406 31.823 -0.279 0.000 0.699 70 V HN 0.130 nan 8.190 nan 0.000 0.463 71 V N 1.501 121.465 119.914 0.082 0.000 2.287 71 V HA -0.221 3.939 4.120 0.066 0.000 0.248 71 V C 3.160 179.292 176.094 0.064 0.000 1.053 71 V CA 2.479 64.721 62.300 -0.098 0.000 1.027 71 V CB -1.444 30.216 31.823 -0.271 0.000 0.646 71 V HN 0.698 nan 8.190 nan 0.000 0.447 72 A N -0.424 122.509 122.820 0.188 0.000 1.908 72 A HA -0.277 4.083 4.320 0.066 0.000 0.218 72 A C 2.124 179.809 177.584 0.168 0.000 1.181 72 A CA 2.230 54.383 52.037 0.194 0.000 0.627 72 A CB -0.776 18.382 19.000 0.263 0.000 0.818 72 A HN 0.574 nan 8.150 nan 0.000 0.445 73 F N 0.821 120.791 119.950 0.033 0.000 2.095 73 F HA -0.175 4.393 4.527 0.068 0.000 0.298 73 F C 2.190 177.908 175.800 -0.136 0.000 1.104 73 F CA 2.122 59.958 58.000 -0.273 0.000 1.232 73 F CB -0.464 38.572 39.000 0.059 0.000 0.987 73 F HN 0.024 nan 8.300 nan 0.000 0.475 74 V N 0.856 120.724 119.914 -0.077 0.000 2.332 74 V HA -0.309 3.850 4.120 0.066 0.000 0.248 74 V C 2.309 178.322 176.094 -0.135 0.000 1.055 74 V CA 2.411 64.645 62.300 -0.110 0.000 1.038 74 V CB -0.766 30.963 31.823 -0.156 0.000 0.651 74 V HN 0.403 nan 8.190 nan 0.000 0.450 75 E N 0.149 120.299 120.200 -0.083 0.000 2.072 75 E HA -0.136 4.253 4.350 0.066 0.000 0.191 75 E C 2.336 178.896 176.600 -0.066 0.000 0.985 75 E CA 1.184 57.550 56.400 -0.057 0.000 0.801 75 E CB -0.473 29.222 29.700 -0.009 0.000 0.750 75 E HN 0.656 nan 8.360 nan 0.000 0.452 76 G N 1.791 110.576 108.800 -0.026 0.000 2.421 76 G HA2 -0.218 3.782 3.960 0.066 0.000 0.216 76 G HA3 -0.218 3.782 3.960 0.066 0.000 0.216 76 G C 1.563 176.451 174.900 -0.020 0.000 1.171 76 G CA 0.434 45.594 45.100 0.099 0.000 0.775 76 G HN 0.067 nan 8.290 nan 0.000 0.543 77 I N 2.040 122.464 120.570 -0.243 0.000 2.208 77 I HA -0.118 4.092 4.170 0.066 0.000 0.245 77 I C 3.091 178.968 176.117 -0.400 0.000 1.097 77 I CA 1.365 62.417 61.300 -0.414 0.000 1.363 77 I CB -1.647 35.864 38.000 -0.816 0.000 1.051 77 I HN 0.238 nan 8.210 nan 0.000 0.413 78 G N 1.276 109.872 108.800 -0.340 0.000 2.505 78 G HA2 -0.326 3.674 3.960 0.066 0.000 0.220 78 G HA3 -0.326 3.674 3.960 0.066 0.000 0.220 78 G C 1.707 176.516 174.900 -0.152 0.000 1.145 78 G CA 1.535 46.501 45.100 -0.223 0.000 0.761 78 G HN 0.555 nan 8.290 nan 0.000 0.571 79 S N -0.181 115.451 115.700 -0.113 0.000 2.507 79 S HA 0.092 4.601 4.470 0.066 0.000 0.235 79 S C 2.068 176.617 174.600 -0.084 0.000 0.988 79 S CA 1.221 59.374 58.200 -0.079 0.000 0.944 79 S CB -0.183 62.984 63.200 -0.054 0.000 0.762 79 S HN 0.425 nan 8.310 nan 0.000 0.526 80 M N 0.657 120.191 119.600 -0.111 0.000 2.382 80 M HA 0.421 4.940 4.480 0.066 0.000 0.247 80 M C 1.397 177.636 176.300 -0.102 0.000 1.104 80 M CA 0.325 55.567 55.300 -0.096 0.000 1.030 80 M CB 0.038 32.582 32.600 -0.093 0.000 1.424 80 M HN 0.482 nan 8.290 nan 0.000 0.486 81 I N -3.683 116.808 120.570 -0.132 0.000 4.147 81 I HA 0.601 4.810 4.170 0.066 0.000 0.329 81 I C 0.967 177.039 176.117 -0.076 0.000 1.424 81 I CA -0.228 61.001 61.300 -0.118 0.000 1.127 81 I CB -0.065 37.818 38.000 -0.196 0.000 1.128 81 I HN 0.261 nan 8.210 nan 0.000 0.417 82 G N 2.531 111.286 108.800 -0.075 0.000 2.583 82 G HA2 -0.336 3.663 3.960 0.066 0.000 0.292 82 G HA3 -0.336 3.663 3.960 0.066 0.000 0.292 82 G C 0.795 175.662 174.900 -0.055 0.000 1.203 82 G CA 0.745 45.814 45.100 -0.053 0.000 0.987 82 G HN 0.385 nan 8.290 nan 0.000 0.554 83 E N 1.050 121.228 120.200 -0.036 0.000 2.204 83 E HA -0.053 4.337 4.350 0.066 0.000 0.194 83 E C 2.043 178.600 176.600 -0.072 0.000 0.989 83 E CA 1.279 57.649 56.400 -0.051 0.000 0.824 83 E CB -0.347 29.345 29.700 -0.013 0.000 0.756 83 E HN 0.547 nan 8.360 nan 0.000 0.477 84 D N 0.606 121.023 120.400 0.028 0.000 2.351 84 D HA -0.105 4.575 4.640 0.066 0.000 0.216 84 D C 1.864 178.185 176.300 0.036 0.000 0.968 84 D CA 0.919 55.005 54.000 0.144 0.000 0.899 84 D CB -0.222 40.693 40.800 0.191 0.000 0.907 84 D HN 0.157 nan 8.370 nan 0.000 0.514 85 S N 0.484 116.148 115.700 -0.060 0.000 2.440 85 S HA -0.173 4.337 4.470 0.066 0.000 0.238 85 S C 1.801 176.357 174.600 -0.072 0.000 1.010 85 S CA 0.409 58.588 58.200 -0.035 0.000 0.972 85 S CB -0.245 62.911 63.200 -0.073 0.000 0.774 85 S HN 0.253 nan 8.310 nan 0.000 0.501 86 R N 0.160 120.457 120.500 -0.339 0.000 2.139 86 R HA -0.023 4.357 4.340 0.066 0.000 0.243 86 R C 1.244 177.251 176.300 -0.488 0.000 1.145 86 R CA 1.899 57.679 56.100 -0.534 0.000 0.976 86 R CB -0.495 29.177 30.300 -1.046 0.000 0.866 86 R HN 0.607 nan 8.270 nan 0.000 0.449 87 F N -1.691 118.245 119.950 -0.023 0.000 2.695 87 F HA 0.194 4.761 4.527 0.066 0.000 0.303 87 F C 0.481 176.347 175.800 0.111 0.000 1.091 87 F CA -0.832 57.101 58.000 -0.112 0.000 1.300 87 F CB 0.395 39.335 39.000 -0.100 0.000 1.071 87 F HN -0.136 nan 8.300 nan 0.000 0.578 88 F N 1.199 121.263 119.950 0.189 0.000 2.408 88 F HA 0.312 4.879 4.527 0.067 0.000 0.344 88 F C 1.114 177.101 175.800 0.312 0.000 1.112 88 F CA -0.777 57.358 58.000 0.226 0.000 1.096 88 F CB 0.111 39.194 39.000 0.139 0.000 1.129 88 F HN 0.099 nan 8.300 nan 0.000 0.486 89 H N 4.856 123.716 119.070 -0.349 0.000 2.756 89 H HA -0.296 4.300 4.556 0.066 0.000 0.315 89 H C -1.512 173.859 175.328 0.073 0.000 1.210 89 H CA 0.720 56.666 56.048 -0.170 0.000 1.150 89 H CB -1.206 28.478 29.762 -0.130 0.000 1.463 89 H HN 0.724 nan 8.280 nan 0.000 0.427 90 Y N 0.541 120.842 120.300 0.002 0.000 2.404 90 Y HA 0.380 4.969 4.550 0.066 0.000 0.344 90 Y C 1.334 177.274 175.900 0.067 0.000 0.970 90 Y CA 0.836 58.954 58.100 0.029 0.000 1.180 90 Y CB 0.603 39.037 38.460 -0.043 0.000 1.138 90 Y HN 0.441 nan 8.280 nan 0.000 0.510 91 G N 4.715 113.224 108.800 -0.484 0.000 2.179 91 G HA2 -0.282 3.718 3.960 0.066 0.000 0.260 91 G HA3 -0.282 3.718 3.960 0.066 0.000 0.260 91 G C -0.120 174.649 174.900 -0.219 0.000 0.977 91 G CA 0.206 45.106 45.100 -0.333 0.000 0.641 91 G HN 0.643 nan 8.290 nan 0.000 0.533 92 L N 0.580 121.611 121.223 -0.319 0.000 2.418 92 L HA 0.594 4.974 4.340 0.066 0.000 0.265 92 L C 1.099 177.795 176.870 -0.291 0.000 1.143 92 L CA -0.039 54.573 54.840 -0.381 0.000 0.809 92 L CB 1.242 42.891 42.059 -0.682 0.000 1.124 92 L HN 0.213 nan 8.230 nan 0.000 0.456 93 T N -0.429 114.022 114.554 -0.172 0.000 2.927 93 T HA 0.156 4.546 4.350 0.066 0.000 0.281 93 T C 1.174 175.861 174.700 -0.021 0.000 0.998 93 T CA -0.418 61.643 62.100 -0.065 0.000 1.019 93 T CB 1.576 70.413 68.868 -0.052 0.000 1.061 93 T HN 0.652 nan 8.240 nan 0.000 0.518 94 S N 1.371 117.101 115.700 0.050 0.000 2.370 94 S HA -0.093 4.416 4.470 0.066 0.000 0.226 94 S C 2.219 176.785 174.600 -0.056 0.000 1.033 94 S CA 1.600 59.827 58.200 0.045 0.000 1.011 94 S CB -0.326 62.949 63.200 0.124 0.000 0.852 94 S HN 0.719 nan 8.310 nan 0.000 0.457 95 S N 1.221 116.903 115.700 -0.030 0.000 2.481 95 S HA -0.040 4.469 4.470 0.066 0.000 0.231 95 S C 1.309 175.878 174.600 -0.051 0.000 0.996 95 S CA 0.414 58.595 58.200 -0.033 0.000 0.942 95 S CB -0.304 62.901 63.200 0.009 0.000 0.768 95 S HN 0.435 nan 8.310 nan 0.000 0.520 96 D N 1.526 121.883 120.400 -0.070 0.000 2.116 96 D HA -0.099 4.581 4.640 0.066 0.000 0.193 96 D C 1.989 178.237 176.300 -0.087 0.000 0.998 96 D CA 1.065 55.018 54.000 -0.077 0.000 0.836 96 D CB -0.329 40.405 40.800 -0.109 0.000 0.951 96 D HN 0.251 nan 8.370 nan 0.000 0.449 97 V N 0.905 120.734 119.914 -0.142 0.000 2.302 97 V HA -0.162 3.998 4.120 0.066 0.000 0.243 97 V C 2.705 178.627 176.094 -0.287 0.000 1.036 97 V CA 0.907 63.067 62.300 -0.233 0.000 1.020 97 V CB -0.507 31.098 31.823 -0.363 0.000 0.657 97 V HN 0.129 nan 8.190 nan 0.000 0.453 98 L N 0.044 121.078 121.223 -0.314 0.000 2.012 98 L HA -0.221 4.159 4.340 0.066 0.000 0.210 98 L C 2.303 179.206 176.870 0.054 0.000 1.073 98 L CA 1.847 56.602 54.840 -0.142 0.000 0.748 98 L CB -0.699 41.314 42.059 -0.077 0.000 0.891 98 L HN 0.329 nan 8.230 nan 0.000 0.431 99 D N -1.224 119.202 120.400 0.044 0.000 2.183 99 D HA -0.089 4.591 4.640 0.066 0.000 0.205 99 D C 2.262 178.622 176.300 0.100 0.000 0.962 99 D CA 1.257 55.323 54.000 0.110 0.000 0.849 99 D CB -0.169 40.684 40.800 0.087 0.000 0.978 99 D HN 0.193 nan 8.370 nan 0.000 0.488 100 T N 0.747 115.331 114.554 0.050 0.000 2.720 100 T HA -0.148 4.241 4.350 0.066 0.000 0.268 100 T C 2.009 176.748 174.700 0.065 0.000 1.037 100 T CA 1.560 63.687 62.100 0.044 0.000 1.144 100 T CB -0.285 68.594 68.868 0.020 0.000 0.864 100 T HN 0.175 nan 8.240 nan 0.000 0.444 101 A N 2.250 125.129 122.820 0.098 0.000 1.933 101 A HA -0.141 4.219 4.320 0.066 0.000 0.218 101 A C 2.273 179.941 177.584 0.140 0.000 1.175 101 A CA 1.395 53.528 52.037 0.160 0.000 0.628 101 A CB -0.553 18.662 19.000 0.358 0.000 0.814 101 A HN 0.375 nan 8.150 nan 0.000 0.444 102 N N 0.290 119.098 118.700 0.181 0.000 2.244 102 N HA -0.078 4.701 4.740 0.066 0.000 0.183 102 N C 1.925 177.453 175.510 0.030 0.000 1.016 102 N CA 1.411 54.567 53.050 0.178 0.000 0.866 102 N CB -0.324 38.364 38.487 0.336 0.000 0.980 102 N HN 0.466 nan 8.380 nan 0.000 0.430 103 S N 1.519 117.233 115.700 0.024 0.000 2.356 103 S HA -0.037 4.473 4.470 0.066 0.000 0.223 103 S C 2.174 176.741 174.600 -0.055 0.000 1.032 103 S CA 0.695 58.867 58.200 -0.047 0.000 1.005 103 S CB -0.387 62.803 63.200 -0.017 0.000 0.867 103 S HN 0.255 nan 8.310 nan 0.000 0.449 104 L N 1.246 122.455 121.223 -0.024 0.000 2.013 104 L HA -0.240 4.139 4.340 0.066 0.000 0.212 104 L C 2.836 179.656 176.870 -0.084 0.000 1.073 104 L CA 1.470 56.286 54.840 -0.040 0.000 0.753 104 L CB -0.752 41.295 42.059 -0.019 0.000 0.890 104 L HN 0.366 nan 8.230 nan 0.000 0.432 105 A N -0.337 122.418 122.820 -0.108 0.000 1.898 105 A HA -0.118 4.242 4.320 0.066 0.000 0.216 105 A C 2.221 179.729 177.584 -0.127 0.000 1.181 105 A CA 1.325 53.223 52.037 -0.232 0.000 0.620 105 A CB -0.543 18.278 19.000 -0.298 0.000 0.819 105 A HN 0.377 nan 8.150 nan 0.000 0.442 106 L N -0.774 120.387 121.223 -0.103 0.000 2.131 106 L HA -0.084 4.296 4.340 0.066 0.000 0.206 106 L C 2.478 179.333 176.870 -0.025 0.000 1.087 106 L CA 0.553 55.296 54.840 -0.163 0.000 0.767 106 L CB -0.479 41.207 42.059 -0.621 0.000 0.917 106 L HN 0.219 nan 8.230 nan 0.000 0.441 107 V N 0.253 120.140 119.914 -0.045 0.000 2.255 107 V HA -0.298 3.862 4.120 0.066 0.000 0.247 107 V C 2.555 178.668 176.094 0.031 0.000 1.051 107 V CA 2.187 64.499 62.300 0.019 0.000 1.018 107 V CB -0.397 31.416 31.823 -0.016 0.000 0.641 107 V HN 0.442 nan 8.190 nan 0.000 0.445 108 E N 0.677 120.865 120.200 -0.019 0.000 2.047 108 E HA -0.147 4.243 4.350 0.066 0.000 0.191 108 E C 2.117 178.708 176.600 -0.015 0.000 0.987 108 E CA 1.660 58.038 56.400 -0.038 0.000 0.799 108 E CB -0.588 29.052 29.700 -0.099 0.000 0.752 108 E HN 0.474 nan 8.360 nan 0.000 0.449 109 A N 0.417 123.245 122.820 0.013 0.000 1.892 109 A HA -0.130 4.229 4.320 0.066 0.000 0.218 109 A C 2.508 180.186 177.584 0.156 0.000 1.188 109 A CA 2.112 54.216 52.037 0.112 0.000 0.631 109 A CB -1.553 17.627 19.000 0.299 0.000 0.822 109 A HN 0.436 nan 8.150 nan 0.000 0.447 110 G N -0.527 108.405 108.800 0.219 0.000 2.440 110 G HA2 -0.259 3.741 3.960 0.066 0.000 0.218 110 G HA3 -0.259 3.741 3.960 0.066 0.000 0.218 110 G C 1.692 176.652 174.900 0.100 0.000 1.154 110 G CA 1.186 46.398 45.100 0.187 0.000 0.767 110 G HN 0.593 nan 8.290 nan 0.000 0.552 111 K N -0.151 120.293 120.400 0.074 0.000 2.057 111 K HA 0.041 4.401 4.320 0.066 0.000 0.207 111 K C 2.463 179.089 176.600 0.043 0.000 1.049 111 K CA 0.958 57.274 56.287 0.048 0.000 0.931 111 K CB -0.240 32.276 32.500 0.026 0.000 0.714 111 K HN 0.333 nan 8.250 nan 0.000 0.440 112 I N 0.799 121.380 120.570 0.019 0.000 2.226 112 I HA -0.289 3.921 4.170 0.066 0.000 0.245 112 I C 2.083 178.258 176.117 0.096 0.000 1.100 112 I CA 0.730 62.029 61.300 -0.002 0.000 1.374 112 I CB -0.214 37.699 38.000 -0.147 0.000 1.057 112 I HN 0.087 nan 8.210 nan 0.000 0.413 113 L N 0.085 121.378 121.223 0.117 0.000 1.989 113 L HA -0.234 4.146 4.340 0.066 0.000 0.211 113 L C 2.388 179.336 176.870 0.131 0.000 1.071 113 L CA 1.793 56.738 54.840 0.174 0.000 0.749 113 L CB -1.201 40.932 42.059 0.123 0.000 0.890 113 L HN 0.226 nan 8.230 nan 0.000 0.431 114 L N 0.066 121.343 121.223 0.090 0.000 2.017 114 L HA -0.171 4.209 4.340 0.066 0.000 0.208 114 L C 2.684 179.604 176.870 0.082 0.000 1.073 114 L CA 2.466 57.350 54.840 0.073 0.000 0.745 114 L CB -1.093 41.000 42.059 0.056 0.000 0.894 114 L HN 0.406 nan 8.230 nan 0.000 0.432 115 E N -0.719 119.533 120.200 0.088 0.000 2.110 115 E HA -0.223 4.167 4.350 0.066 0.000 0.193 115 E C 2.261 178.932 176.600 0.118 0.000 0.988 115 E CA 1.628 58.083 56.400 0.092 0.000 0.804 115 E CB -1.345 28.405 29.700 0.084 0.000 0.745 115 E HN 0.804 nan 8.360 nan 0.000 0.458 116 S N 0.039 115.832 115.700 0.156 0.000 2.406 116 S HA 0.022 4.532 4.470 0.066 0.000 0.228 116 S C 2.179 176.854 174.600 0.125 0.000 1.020 116 S CA 1.016 59.301 58.200 0.141 0.000 0.965 116 S CB -0.218 63.096 63.200 0.190 0.000 0.798 116 S HN 0.457 nan 8.310 nan 0.000 0.488 117 L N 1.005 122.307 121.223 0.130 0.000 2.027 117 L HA -0.070 4.310 4.340 0.066 0.000 0.206 117 L C 2.616 179.582 176.870 0.159 0.000 1.074 117 L CA 1.669 56.603 54.840 0.157 0.000 0.745 117 L CB -0.401 41.724 42.059 0.111 0.000 0.898 117 L HN 0.357 nan 8.230 nan 0.000 0.433 118 K N -0.254 120.212 120.400 0.110 0.000 2.063 118 K HA -0.276 4.083 4.320 0.066 0.000 0.208 118 K C 1.907 178.583 176.600 0.126 0.000 1.048 118 K CA 1.807 58.149 56.287 0.092 0.000 0.928 118 K CB -0.131 32.410 32.500 0.069 0.000 0.713 118 K HN 0.331 nan 8.250 nan 0.000 0.442 119 E N 0.150 120.434 120.200 0.139 0.000 2.118 119 E HA -0.219 4.171 4.350 0.066 0.000 0.195 119 E C 1.789 178.533 176.600 0.240 0.000 0.992 119 E CA 0.960 57.454 56.400 0.157 0.000 0.804 119 E CB -0.076 29.700 29.700 0.125 0.000 0.741 119 E HN 0.207 nan 8.360 nan 0.000 0.458 120 F N 1.069 121.055 119.950 0.059 0.000 2.134 120 F HA -0.185 4.380 4.527 0.063 0.000 0.299 120 F C 2.141 178.018 175.800 0.128 0.000 1.097 120 F CA 0.854 58.895 58.000 0.069 0.000 1.264 120 F CB -0.820 38.199 39.000 0.032 0.000 1.001 120 F HN 0.189 nan 8.300 nan 0.000 0.479 121 C N 0.511 119.890 119.300 0.132 0.000 2.413 121 C HA -0.204 4.296 4.460 0.066 0.000 0.276 121 C C 2.528 177.698 174.990 0.300 0.000 1.248 121 C CA 1.295 60.385 59.018 0.120 0.000 1.742 121 C CB -1.153 26.604 27.740 0.029 0.000 2.017 121 C HN 0.438 nan 8.230 nan 0.000 0.481 122 D N 0.584 121.126 120.400 0.237 0.000 2.117 122 D HA -0.107 4.573 4.640 0.066 0.000 0.197 122 D C 2.185 178.628 176.300 0.239 0.000 0.987 122 D CA 1.073 55.216 54.000 0.239 0.000 0.829 122 D CB -0.568 40.334 40.800 0.171 0.000 0.961 122 D HN 0.283 nan 8.370 nan 0.000 0.460 123 V N 0.947 120.987 119.914 0.210 0.000 2.343 123 V HA -0.215 3.945 4.120 0.066 0.000 0.247 123 V C 2.605 178.796 176.094 0.162 0.000 1.051 123 V CA 1.136 63.551 62.300 0.191 0.000 1.036 123 V CB -0.414 31.555 31.823 0.244 0.000 0.654 123 V HN 0.181 nan 8.190 nan 0.000 0.451 124 L N -1.222 120.082 121.223 0.135 0.000 2.027 124 L HA -0.209 4.170 4.340 0.066 0.000 0.206 124 L C 2.400 179.314 176.870 0.072 0.000 1.074 124 L CA 2.058 56.956 54.840 0.096 0.000 0.745 124 L CB -0.589 41.493 42.059 0.039 0.000 0.898 124 L HN 0.529 nan 8.230 nan 0.000 0.433 125 W N 1.549 122.754 121.300 -0.157 0.000 2.335 125 W HA -0.272 4.430 4.660 0.070 0.000 0.311 125 W C 2.323 178.730 176.519 -0.188 0.000 1.213 125 W CA 2.149 59.245 57.345 -0.415 0.000 1.274 125 W CB -0.018 29.194 29.460 -0.413 0.000 1.148 125 W HN 0.327 nan 8.180 nan 0.000 0.498 126 E N 0.025 120.202 120.200 -0.039 0.000 2.077 126 E HA -0.219 4.171 4.350 0.066 0.000 0.193 126 E C 2.049 178.548 176.600 -0.169 0.000 0.989 126 E CA 1.900 58.224 56.400 -0.126 0.000 0.800 126 E CB -0.317 29.398 29.700 0.025 0.000 0.746 126 E HN 0.093 nan 8.360 nan 0.000 0.452 127 V N 1.066 120.947 119.914 -0.055 0.000 2.379 127 V HA -0.203 3.956 4.120 0.066 0.000 0.245 127 V C 2.428 178.498 176.094 -0.041 0.000 1.044 127 V CA 1.616 63.932 62.300 0.027 0.000 1.036 127 V CB -0.569 31.359 31.823 0.176 0.000 0.664 127 V HN 0.424 nan 8.190 nan 0.000 0.453 128 A N 0.266 122.992 122.820 -0.157 0.000 1.902 128 A HA -0.232 4.128 4.320 0.066 0.000 0.217 128 A C 2.092 179.537 177.584 -0.232 0.000 1.181 128 A CA 1.998 53.930 52.037 -0.174 0.000 0.623 128 A CB -0.664 18.192 19.000 -0.239 0.000 0.818 128 A HN 0.615 nan 8.150 nan 0.000 0.443 129 N N -0.779 117.629 118.700 -0.486 0.000 2.244 129 N HA -0.154 4.625 4.740 0.066 0.000 0.183 129 N C 1.975 177.171 175.510 -0.522 0.000 1.016 129 N CA 1.227 53.883 53.050 -0.657 0.000 0.866 129 N CB -0.258 37.764 38.487 -0.776 0.000 0.980 129 N HN 0.581 nan 8.380 nan 0.000 0.430 130 R N 0.486 120.707 120.500 -0.465 0.000 2.096 130 R HA -0.122 4.257 4.340 0.066 0.000 0.235 130 R C 0.553 176.417 176.300 -0.726 0.000 1.127 130 R CA 1.355 57.096 56.100 -0.599 0.000 0.968 130 R CB -0.043 29.833 30.300 -0.707 0.000 0.861 130 R HN 0.280 nan 8.270 nan 0.000 0.440 131 Y N 0.191 120.428 120.300 -0.106 0.000 2.683 131 Y HA 0.206 4.795 4.550 0.065 0.000 0.297 131 Y C 1.491 177.302 175.900 -0.149 0.000 1.147 131 Y CA -0.427 57.656 58.100 -0.030 0.000 1.274 131 Y CB 0.297 38.890 38.460 0.223 0.000 1.143 131 Y HN 0.009 nan 8.280 nan 0.000 0.527 132 K N 0.201 120.390 120.400 -0.352 0.000 2.059 132 K HA -0.229 4.131 4.320 0.066 0.000 0.212 132 K C 0.707 177.016 176.600 -0.485 0.000 1.050 132 K CA 1.877 57.745 56.287 -0.698 0.000 0.927 132 K CB -0.028 31.679 32.500 -1.321 0.000 0.714 132 K HN 0.461 nan 8.250 nan 0.000 0.447 133 H N -0.680 118.343 119.070 -0.079 0.000 2.592 133 H HA 0.135 4.731 4.556 0.067 0.000 0.279 133 H C -0.298 175.061 175.328 0.051 0.000 1.089 133 H CA 0.020 56.059 56.048 -0.016 0.000 1.150 133 H CB 0.460 30.194 29.762 -0.047 0.000 1.575 133 H HN 0.016 nan 8.280 nan 0.000 0.547 134 T N 5.300 119.962 114.554 0.180 0.000 2.754 134 T HA 0.102 4.492 4.350 0.066 0.000 0.282 134 T C -2.332 172.460 174.700 0.153 0.000 0.923 134 T CA -0.985 61.227 62.100 0.186 0.000 1.164 134 T CB 0.792 69.826 68.868 0.277 0.000 0.873 134 T HN 0.133 nan 8.240 nan 0.000 0.537 135 P HA 0.295 nan 4.420 nan 0.000 0.268 135 P C -0.108 177.226 177.300 0.056 0.000 1.205 135 P CA -0.100 63.057 63.100 0.096 0.000 0.771 135 P CB 0.689 32.445 31.700 0.094 0.000 0.858 136 T N 1.987 116.561 114.554 0.034 0.000 2.840 136 T HA 0.478 4.868 4.350 0.066 0.000 0.317 136 T C -1.415 173.242 174.700 -0.072 0.000 1.401 136 T CA -0.542 61.551 62.100 -0.012 0.000 1.028 136 T CB 0.573 69.470 68.868 0.048 0.000 1.317 136 T HN 0.145 nan 8.240 nan 0.000 0.495 137 I N 2.867 123.345 120.570 -0.154 0.000 2.371 137 I HA 0.647 4.856 4.170 0.066 0.000 0.290 137 I C 0.789 176.791 176.117 -0.193 0.000 1.028 137 I CA 0.082 61.224 61.300 -0.262 0.000 1.345 137 I CB 0.714 38.391 38.000 -0.539 0.000 1.407 137 I HN 0.687 nan 8.210 nan 0.000 0.501 138 G N 7.074 115.779 108.800 -0.159 0.000 2.467 138 G HA2 0.471 4.470 3.960 0.066 0.000 0.257 138 G HA3 0.471 4.470 3.960 0.066 0.000 0.257 138 G C -0.515 174.330 174.900 -0.092 0.000 1.227 138 G CA -0.628 44.415 45.100 -0.095 0.000 0.835 138 G HN 0.668 nan 8.290 nan 0.000 0.556 139 R N 0.227 120.697 120.500 -0.052 0.000 2.532 139 R HA 0.523 4.903 4.340 0.066 0.000 0.297 139 R C -0.697 175.572 176.300 -0.051 0.000 0.984 139 R CA -0.621 55.465 56.100 -0.022 0.000 0.884 139 R CB 2.161 32.458 30.300 -0.005 0.000 1.182 139 R HN 0.697 nan 8.270 nan 0.000 0.442 140 T N -0.727 113.795 114.554 -0.054 0.000 2.848 140 T HA 0.277 4.666 4.350 0.066 0.000 0.285 140 T C 0.111 174.708 174.700 -0.173 0.000 0.995 140 T CA -0.804 61.182 62.100 -0.190 0.000 0.970 140 T CB 0.986 69.733 68.868 -0.202 0.000 0.976 140 T HN 0.831 nan 8.240 nan 0.000 0.441 141 H N 1.400 120.465 119.070 -0.008 0.000 2.899 141 H HA -0.234 4.362 4.556 0.067 0.000 0.282 141 H C 1.530 176.846 175.328 -0.021 0.000 1.198 141 H CA 1.137 57.179 56.048 -0.011 0.000 1.140 141 H CB -1.838 27.919 29.762 -0.009 0.000 1.317 141 H HN 1.793 nan 8.280 nan 0.000 0.375 142 G N -1.012 107.790 108.800 0.003 0.000 2.166 142 G HA2 -0.303 3.697 3.960 0.066 0.000 0.260 142 G HA3 -0.303 3.697 3.960 0.066 0.000 0.260 142 G C 0.280 175.204 174.900 0.040 0.000 0.986 142 G CA 0.503 45.593 45.100 -0.017 0.000 0.683 142 G HN 0.518 nan 8.290 nan 0.000 0.527 143 V N 1.219 121.177 119.914 0.074 0.000 2.495 143 V HA 0.459 4.618 4.120 0.066 0.000 0.298 143 V C 0.517 176.703 176.094 0.153 0.000 1.031 143 V CA -1.438 60.916 62.300 0.091 0.000 0.871 143 V CB 1.480 33.347 31.823 0.073 0.000 0.988 143 V HN 0.342 nan 8.190 nan 0.000 0.432 144 H N 2.875 121.941 119.070 -0.007 0.000 3.192 144 H HA 0.192 4.788 4.556 0.066 0.000 0.295 144 H C 0.617 175.908 175.328 -0.061 0.000 0.943 144 H CA 0.783 56.807 56.048 -0.039 0.000 1.416 144 H CB 0.583 30.323 29.762 -0.036 0.000 1.434 144 H HN 0.844 nan 8.280 nan 0.000 0.565 145 A N 3.869 126.688 122.820 -0.002 0.000 2.392 145 A HA 0.311 4.671 4.320 0.066 0.000 0.217 145 A C -0.032 177.463 177.584 -0.149 0.000 2.391 145 A CA -0.000 52.009 52.037 -0.046 0.000 1.329 145 A CB 0.579 19.561 19.000 -0.030 0.000 1.199 145 A HN 0.650 nan 8.150 nan 0.000 0.527 146 E N -0.304 119.775 120.200 -0.202 0.000 2.343 146 E HA 0.454 4.844 4.350 0.066 0.000 0.270 146 E C -2.845 173.512 176.600 -0.405 0.000 0.895 146 E CA -2.280 53.880 56.400 -0.401 0.000 0.767 146 E CB 2.002 31.553 29.700 -0.248 0.000 1.248 146 E HN 0.133 nan 8.360 nan 0.000 0.440 147 P HA 0.023 nan 4.420 nan 0.000 0.269 147 P C -0.541 176.706 177.300 -0.088 0.000 1.215 147 P CA 0.226 63.132 63.100 -0.323 0.000 0.780 147 P CB 0.793 32.308 31.700 -0.308 0.000 0.898 148 T N -0.138 114.411 114.554 -0.008 0.000 2.645 148 T HA 0.538 4.927 4.350 0.066 0.000 0.300 148 T C -1.221 173.526 174.700 0.079 0.000 1.210 148 T CA -0.502 61.634 62.100 0.059 0.000 1.034 148 T CB 0.557 69.443 68.868 0.031 0.000 1.537 148 T HN 0.293 nan 8.240 nan 0.000 0.492 149 S N 0.115 115.869 115.700 0.089 0.000 2.549 149 S HA 0.516 5.025 4.470 0.066 0.000 0.297 149 S C 0.655 175.309 174.600 0.091 0.000 1.115 149 S CA -0.572 57.695 58.200 0.111 0.000 1.059 149 S CB 1.019 64.296 63.200 0.128 0.000 1.046 149 S HN 0.625 nan 8.310 nan 0.000 0.506 150 F N 3.839 123.773 119.950 -0.027 0.000 2.186 150 F HA 0.161 4.729 4.527 0.068 0.000 0.299 150 F C 2.104 177.850 175.800 -0.091 0.000 1.090 150 F CA 1.969 59.916 58.000 -0.088 0.000 1.307 150 F CB -0.832 38.095 39.000 -0.121 0.000 1.019 150 F HN 0.781 nan 8.300 nan 0.000 0.489 151 G N 0.735 109.525 108.800 -0.018 0.000 2.442 151 G HA2 -0.237 3.762 3.960 0.066 0.000 0.219 151 G HA3 -0.237 3.762 3.960 0.066 0.000 0.219 151 G C 1.851 176.691 174.900 -0.099 0.000 1.141 151 G CA 0.977 46.041 45.100 -0.059 0.000 0.763 151 G HN 0.432 nan 8.290 nan 0.000 0.554 152 L N -0.044 121.152 121.223 -0.045 0.000 2.012 152 L HA -0.126 4.254 4.340 0.066 0.000 0.210 152 L C 3.071 179.724 176.870 -0.362 0.000 1.073 152 L CA 1.626 56.368 54.840 -0.163 0.000 0.748 152 L CB -0.303 41.732 42.059 -0.041 0.000 0.891 152 L HN 0.249 nan 8.230 nan 0.000 0.431 153 K N -0.610 119.525 120.400 -0.442 0.000 2.032 153 K HA -0.179 4.181 4.320 0.066 0.000 0.209 153 K C 1.900 177.813 176.600 -1.145 0.000 1.048 153 K CA 1.520 57.414 56.287 -0.654 0.000 0.927 153 K CB -0.395 31.742 32.500 -0.605 0.000 0.712 153 K HN 0.144 nan 8.250 nan 0.000 0.441 154 V N 2.108 121.258 119.914 -1.274 0.000 2.490 154 V HA -0.219 3.940 4.120 0.066 0.000 0.250 154 V C 2.230 177.945 176.094 -0.631 0.000 1.061 154 V CA 1.357 62.937 62.300 -1.199 0.000 1.064 154 V CB -0.476 30.852 31.823 -0.826 0.000 0.670 154 V HN 0.343 nan 8.190 nan 0.000 0.461 155 L N 0.514 121.399 121.223 -0.562 0.000 2.042 155 L HA -0.141 4.239 4.340 0.066 0.000 0.210 155 L C 2.455 179.104 176.870 -0.367 0.000 1.076 155 L CA 2.031 56.552 54.840 -0.531 0.000 0.749 155 L CB -0.907 40.660 42.059 -0.820 0.000 0.893 155 L HN 0.486 nan 8.230 nan 0.000 0.432 156 G N -1.046 107.543 108.800 -0.353 0.000 2.422 156 G HA2 -0.260 3.739 3.960 0.066 0.000 0.218 156 G HA3 -0.260 3.739 3.960 0.066 0.000 0.218 156 G C 1.073 175.989 174.900 0.027 0.000 1.140 156 G CA 0.233 45.247 45.100 -0.143 0.000 0.775 156 G HN 0.368 nan 8.290 nan 0.000 0.545 157 W N -0.209 121.017 121.300 -0.123 0.000 2.409 157 W HA 0.081 4.779 4.660 0.063 0.000 0.299 157 W C 2.135 178.558 176.519 -0.161 0.000 1.203 157 W CA 0.086 57.357 57.345 -0.124 0.000 1.298 157 W CB -1.519 27.862 29.460 -0.133 0.000 1.127 157 W HN 0.339 nan 8.180 nan 0.000 0.528 158 Y N 1.370 121.627 120.300 -0.071 0.000 2.165 158 Y HA -0.285 4.309 4.550 0.074 0.000 0.286 158 Y C 2.829 178.647 175.900 -0.136 0.000 1.155 158 Y CA 2.507 60.515 58.100 -0.154 0.000 1.164 158 Y CB -0.731 37.614 38.460 -0.192 0.000 0.978 158 Y HN -0.140 nan 8.280 nan 0.000 0.513 159 S N -0.390 115.219 115.700 -0.151 0.000 2.368 159 S HA -0.226 4.284 4.470 0.066 0.000 0.224 159 S C 2.084 176.640 174.600 -0.073 0.000 1.029 159 S CA 1.427 59.575 58.200 -0.087 0.000 0.988 159 S CB -0.543 62.716 63.200 0.098 0.000 0.838 159 S HN 0.712 nan 8.310 nan 0.000 0.462 160 E N -0.038 120.145 120.200 -0.029 0.000 2.058 160 E HA -0.150 4.240 4.350 0.066 0.000 0.194 160 E C 2.011 178.575 176.600 -0.059 0.000 0.997 160 E CA 1.376 57.768 56.400 -0.013 0.000 0.801 160 E CB -0.103 29.619 29.700 0.037 0.000 0.746 160 E HN 0.437 nan 8.360 nan 0.000 0.450 161 M N 0.500 120.032 119.600 -0.113 0.000 2.319 161 M HA -0.082 4.438 4.480 0.066 0.000 0.265 161 M C 1.870 178.073 176.300 -0.162 0.000 1.068 161 M CA 1.066 56.297 55.300 -0.116 0.000 1.118 161 M CB -0.404 32.100 32.600 -0.159 0.000 1.395 161 M HN 0.015 nan 8.290 nan 0.000 0.435 162 K N 0.308 120.533 120.400 -0.292 0.000 2.097 162 K HA -0.051 4.308 4.320 0.066 0.000 0.205 162 K C 2.026 178.558 176.600 -0.114 0.000 1.050 162 K CA 0.877 57.013 56.287 -0.252 0.000 0.938 162 K CB -0.324 31.974 32.500 -0.336 0.000 0.718 162 K HN 0.428 nan 8.250 nan 0.000 0.442 163 R N 0.880 121.334 120.500 -0.078 0.000 2.096 163 R HA -0.048 4.331 4.340 0.066 0.000 0.235 163 R C 1.894 178.178 176.300 -0.027 0.000 1.127 163 R CA 1.024 57.104 56.100 -0.033 0.000 0.968 163 R CB -0.236 30.056 30.300 -0.013 0.000 0.861 163 R HN 0.201 nan 8.270 nan 0.000 0.440 164 N N 0.354 119.035 118.700 -0.033 0.000 2.244 164 N HA -0.091 4.689 4.740 0.066 0.000 0.183 164 N C 1.858 177.360 175.510 -0.014 0.000 1.016 164 N CA 0.784 53.821 53.050 -0.020 0.000 0.866 164 N CB -0.144 38.338 38.487 -0.009 0.000 0.980 164 N HN 0.005 nan 8.380 nan 0.000 0.430 165 V N 1.979 121.880 119.914 -0.021 0.000 2.287 165 V HA -0.231 3.929 4.120 0.066 0.000 0.248 165 V C 2.416 178.510 176.094 0.001 0.000 1.053 165 V CA 1.532 63.827 62.300 -0.008 0.000 1.027 165 V CB -0.400 31.409 31.823 -0.023 0.000 0.646 165 V HN 0.300 nan 8.190 nan 0.000 0.447 166 Q N -0.093 119.704 119.800 -0.005 0.000 2.084 166 Q HA -0.183 4.197 4.340 0.066 0.000 0.202 166 Q C 2.363 178.382 176.000 0.032 0.000 0.978 166 Q CA 1.575 57.385 55.803 0.011 0.000 0.844 166 Q CB -0.454 28.288 28.738 0.006 0.000 0.898 166 Q HN 0.619 nan 8.270 nan 0.000 0.426 167 R N 0.266 120.781 120.500 0.026 0.000 2.096 167 R HA -0.019 4.360 4.340 0.066 0.000 0.235 167 R C 2.429 178.756 176.300 0.044 0.000 1.127 167 R CA 0.717 56.842 56.100 0.042 0.000 0.968 167 R CB -0.338 29.962 30.300 0.000 0.000 0.861 167 R HN 0.187 nan 8.270 nan 0.000 0.440 168 L N 0.999 122.229 121.223 0.012 0.000 2.093 168 L HA -0.167 4.212 4.340 0.066 0.000 0.208 168 L C 1.870 178.767 176.870 0.045 0.000 1.085 168 L CA 1.510 56.350 54.840 -0.000 0.000 0.755 168 L CB -0.129 41.925 42.059 -0.008 0.000 0.904 168 L HN 0.256 nan 8.230 nan 0.000 0.435 169 E N -0.400 119.831 120.200 0.050 0.000 2.118 169 E HA -0.264 4.126 4.350 0.066 0.000 0.195 169 E C 2.230 178.881 176.600 0.083 0.000 0.992 169 E CA 1.201 57.636 56.400 0.059 0.000 0.804 169 E CB -0.022 29.703 29.700 0.040 0.000 0.741 169 E HN 0.450 nan 8.360 nan 0.000 0.458 170 R N 0.366 120.931 120.500 0.108 0.000 2.073 170 R HA -0.030 4.349 4.340 0.066 0.000 0.229 170 R C 2.371 178.800 176.300 0.215 0.000 1.120 170 R CA 1.040 57.220 56.100 0.134 0.000 0.967 170 R CB -0.236 30.163 30.300 0.164 0.000 0.862 170 R HN 0.105 nan 8.270 nan 0.000 0.436 171 A N 1.229 124.230 122.820 0.302 0.000 1.902 171 A HA -0.150 4.209 4.320 0.066 0.000 0.217 171 A C 2.128 179.922 177.584 0.349 0.000 1.181 171 A CA 1.242 53.514 52.037 0.392 0.000 0.623 171 A CB -0.512 18.576 19.000 0.147 0.000 0.818 171 A HN 0.180 nan 8.150 nan 0.000 0.443 172 I N -0.282 120.430 120.570 0.237 0.000 2.163 172 I HA -0.316 3.894 4.170 0.066 0.000 0.243 172 I C 2.515 178.715 176.117 0.139 0.000 1.085 172 I CA 1.865 63.288 61.300 0.204 0.000 1.347 172 I CB -0.530 37.549 38.000 0.130 0.000 1.044 172 I HN 0.432 nan 8.210 nan 0.000 0.408 173 E N 0.527 120.795 120.200 0.112 0.000 2.070 173 E HA -0.254 4.135 4.350 0.066 0.000 0.197 173 E C 2.129 178.818 176.600 0.149 0.000 1.004 173 E CA 1.276 57.731 56.400 0.092 0.000 0.805 173 E CB -0.160 29.581 29.700 0.067 0.000 0.744 173 E HN 0.460 nan 8.360 nan 0.000 0.451 174 E N 0.216 120.483 120.200 0.112 0.000 2.160 174 E HA -0.143 4.247 4.350 0.066 0.000 0.195 174 E C 1.785 178.434 176.600 0.081 0.000 0.991 174 E CA 0.763 57.191 56.400 0.045 0.000 0.810 174 E CB 0.152 29.831 29.700 -0.035 0.000 0.742 174 E HN 0.100 nan 8.360 nan 0.000 0.466 175 V N 0.633 120.594 119.914 0.079 0.000 3.621 175 V HA 0.010 4.170 4.120 0.066 0.000 0.285 175 V C 1.162 177.255 176.094 -0.003 0.000 1.346 175 V CA 0.390 62.649 62.300 -0.068 0.000 1.104 175 V CB 0.318 32.020 31.823 -0.202 0.000 0.913 175 V HN 0.043 nan 8.190 nan 0.000 0.432 176 S N 0.665 116.407 115.700 0.070 0.000 2.851 176 S HA 0.164 4.674 4.470 0.066 0.000 0.227 176 S C -0.281 174.202 174.600 -0.195 0.000 0.958 176 S CA 0.144 58.304 58.200 -0.067 0.000 0.990 176 S CB -0.515 62.593 63.200 -0.153 0.000 0.790 176 S HN 0.567 nan 8.310 nan 0.000 0.509 177 Y N 0.559 120.817 120.300 -0.070 0.000 2.341 177 Y HA 0.637 5.220 4.550 0.055 0.000 0.338 177 Y C 0.797 176.674 175.900 -0.038 0.000 0.965 177 Y CA -0.879 57.189 58.100 -0.052 0.000 1.108 177 Y CB 1.255 39.682 38.460 -0.055 0.000 1.180 177 Y HN 0.114 nan 8.280 nan 0.000 0.458 178 G N 2.118 110.965 108.800 0.078 0.000 2.938 178 G HA2 0.763 4.763 3.960 0.066 0.000 0.258 178 G HA3 0.763 4.763 3.960 0.066 0.000 0.258 178 G C -1.404 173.535 174.900 0.066 0.000 1.356 178 G CA -1.153 43.984 45.100 0.060 0.000 1.052 178 G HN 0.538 nan 8.290 nan 0.000 0.550 179 K N -1.428 118.993 120.400 0.035 0.000 2.525 179 K HA 0.564 4.924 4.320 0.066 0.000 0.254 179 K C -1.710 174.888 176.600 -0.004 0.000 0.934 179 K CA -0.828 55.472 56.287 0.022 0.000 0.802 179 K CB 2.293 34.791 32.500 -0.002 0.000 1.295 179 K HN 0.232 nan 8.250 nan 0.000 0.433 180 I N 3.465 124.042 120.570 0.013 0.000 2.871 180 I HA 0.095 4.305 4.170 0.066 0.000 0.284 180 I C 0.097 176.224 176.117 0.018 0.000 1.390 180 I CA -0.450 60.844 61.300 -0.010 0.000 0.958 180 I CB 0.288 38.280 38.000 -0.014 0.000 1.618 180 I HN 0.939 nan 8.210 nan 0.000 0.595 181 S N 0.441 116.065 115.700 -0.127 0.000 2.787 181 S HA 0.546 5.056 4.470 0.066 0.000 0.255 181 S C 0.835 175.246 174.600 -0.315 0.000 1.051 181 S CA 0.079 58.031 58.200 -0.413 0.000 1.124 181 S CB 1.255 63.977 63.200 -0.796 0.000 1.104 181 S HN 0.857 nan 8.310 nan 0.000 0.623 182 G N 1.478 110.169 108.800 -0.182 0.000 2.725 182 G HA2 0.132 4.131 3.960 0.066 0.000 0.220 182 G HA3 0.132 4.131 3.960 0.066 0.000 0.220 182 G C 0.847 175.670 174.900 -0.128 0.000 1.357 182 G CA -0.291 44.724 45.100 -0.142 0.000 0.866 182 G HN 1.208 nan 8.290 nan 0.000 0.548 183 A N -1.073 121.690 122.820 -0.095 0.000 1.903 183 A HA 0.126 4.486 4.320 0.066 0.000 0.219 183 A C 2.509 180.057 177.584 -0.060 0.000 1.191 183 A CA 4.588 56.587 52.037 -0.064 0.000 0.638 183 A CB -0.718 18.254 19.000 -0.046 0.000 0.823 183 A HN 2.400 nan 8.150 nan 0.000 0.451 184 V N -5.261 114.608 119.914 -0.075 0.000 3.159 184 V HA 0.630 4.789 4.120 0.066 0.000 0.333 184 V C 0.986 177.016 176.094 -0.107 0.000 1.424 184 V CA 0.526 62.787 62.300 -0.065 0.000 1.125 184 V CB -0.629 31.170 31.823 -0.040 0.000 1.075 184 V HN 1.732 nan 8.190 nan 0.000 0.482 185 G N 2.739 111.431 108.800 -0.180 0.000 2.136 185 G HA2 -0.292 3.708 3.960 0.066 0.000 0.242 185 G HA3 -0.292 3.708 3.960 0.066 0.000 0.242 185 G C 0.213 174.862 174.900 -0.418 0.000 0.989 185 G CA 0.492 45.417 45.100 -0.291 0.000 0.682 185 G HN 0.990 nan 8.290 nan 0.000 0.522 186 N N -0.737 117.776 118.700 -0.312 0.000 2.234 186 N HA 0.303 5.083 4.740 0.066 0.000 0.227 186 N C 0.683 176.163 175.510 -0.051 0.000 1.151 186 N CA -0.429 52.521 53.050 -0.166 0.000 0.865 186 N CB -0.288 38.177 38.487 -0.038 0.000 1.066 186 N HN 0.732 nan 8.380 nan 0.000 0.515 187 Y N -1.381 118.907 120.300 -0.020 0.000 4.177 187 Y HA -0.319 4.270 4.550 0.064 0.000 0.227 187 Y C 1.679 177.570 175.900 -0.015 0.000 1.154 187 Y CA 0.228 58.315 58.100 -0.022 0.000 1.887 187 Y CB -2.159 36.288 38.460 -0.021 0.000 1.594 187 Y HN 0.356 nan 8.280 nan 0.000 0.668 188 A N 0.370 123.219 122.820 0.049 0.000 1.902 188 A HA -0.189 4.171 4.320 0.066 0.000 0.217 188 A C 2.005 179.606 177.584 0.027 0.000 1.181 188 A CA 2.030 54.088 52.037 0.035 0.000 0.623 188 A CB -0.268 18.733 19.000 0.001 0.000 0.818 188 A HN 0.566 nan 8.150 nan 0.000 0.443 189 N N -1.554 117.146 118.700 -0.000 0.000 2.282 189 N HA 0.163 4.943 4.740 0.066 0.000 0.185 189 N C -0.324 175.188 175.510 0.004 0.000 1.099 189 N CA 0.690 53.721 53.050 -0.033 0.000 0.878 189 N CB 1.348 39.780 38.487 -0.092 0.000 0.993 189 N HN 0.299 nan 8.380 nan 0.000 0.481 190 V N 1.497 121.453 119.914 0.070 0.000 2.777 190 V HA 0.470 4.629 4.120 0.066 0.000 0.306 190 V C -2.832 173.358 176.094 0.160 0.000 1.112 190 V CA -2.000 60.377 62.300 0.127 0.000 0.917 190 V CB 2.879 34.743 31.823 0.068 0.000 1.018 190 V HN -0.183 nan 8.190 nan 0.000 0.426 191 P HA 0.359 nan 4.420 nan 0.000 0.274 191 P C -2.267 174.986 177.300 -0.080 0.000 1.231 191 P CA -1.477 61.639 63.100 0.028 0.000 0.790 191 P CB 0.485 32.187 31.700 0.005 0.000 0.951 192 P HA -0.140 nan 4.420 nan 0.000 0.221 192 P C 1.202 178.296 177.300 -0.343 0.000 1.150 192 P CA 1.556 64.221 63.100 -0.724 0.000 0.800 192 P CB -0.350 30.674 31.700 -1.127 0.000 0.787 193 E N 0.360 120.422 120.200 -0.230 0.000 2.208 193 E HA -0.052 4.338 4.350 0.066 0.000 0.193 193 E C 2.162 178.664 176.600 -0.163 0.000 0.988 193 E CA 1.056 57.357 56.400 -0.166 0.000 0.828 193 E CB -1.550 28.081 29.700 -0.114 0.000 0.763 193 E HN 0.069 nan 8.360 nan 0.000 0.478 194 V N 1.171 120.973 119.914 -0.186 0.000 2.358 194 V HA -0.263 3.897 4.120 0.066 0.000 0.246 194 V C 2.600 178.578 176.094 -0.195 0.000 1.047 194 V CA 2.213 64.361 62.300 -0.254 0.000 1.035 194 V CB -0.251 31.278 31.823 -0.490 0.000 0.658 194 V HN 0.725 nan 8.190 nan 0.000 0.452 195 E N 0.124 120.248 120.200 -0.127 0.000 2.058 195 E HA -0.301 4.089 4.350 0.066 0.000 0.194 195 E C 2.340 178.874 176.600 -0.110 0.000 0.997 195 E CA 1.734 58.098 56.400 -0.060 0.000 0.801 195 E CB -0.215 29.535 29.700 0.083 0.000 0.746 195 E HN 0.632 nan 8.360 nan 0.000 0.450 196 E N 0.688 120.804 120.200 -0.141 0.000 2.077 196 E HA -0.231 4.158 4.350 0.066 0.000 0.193 196 E C 1.940 178.397 176.600 -0.239 0.000 0.989 196 E CA 1.294 57.597 56.400 -0.161 0.000 0.800 196 E CB 0.048 29.657 29.700 -0.151 0.000 0.746 196 E HN 0.229 nan 8.360 nan 0.000 0.452 197 K N 0.037 120.271 120.400 -0.277 0.000 2.025 197 K HA -0.059 4.301 4.320 0.066 0.000 0.207 197 K C 2.256 178.402 176.600 -0.757 0.000 1.049 197 K CA 1.005 57.000 56.287 -0.487 0.000 0.933 197 K CB -0.159 32.150 32.500 -0.319 0.000 0.714 197 K HN 0.091 nan 8.250 nan 0.000 0.438 198 A N 1.574 124.186 122.820 -0.347 0.000 1.877 198 A HA -0.137 4.223 4.320 0.066 0.000 0.216 198 A C 2.123 179.616 177.584 -0.152 0.000 1.186 198 A CA 1.337 53.289 52.037 -0.141 0.000 0.620 198 A CB -0.678 18.308 19.000 -0.024 0.000 0.822 198 A HN 0.157 nan 8.150 nan 0.000 0.443 199 L N 0.461 121.587 121.223 -0.163 0.000 2.156 199 L HA -0.135 4.245 4.340 0.066 0.000 0.208 199 L C 2.940 179.719 176.870 -0.150 0.000 1.095 199 L CA 1.345 56.116 54.840 -0.115 0.000 0.770 199 L CB -0.481 41.522 42.059 -0.093 0.000 0.914 199 L HN 0.608 nan 8.230 nan 0.000 0.439 200 S N -0.775 114.773 115.700 -0.254 0.000 2.383 200 S HA -0.199 4.311 4.470 0.066 0.000 0.227 200 S C 1.955 176.471 174.600 -0.140 0.000 1.026 200 S CA 0.771 58.843 58.200 -0.214 0.000 0.981 200 S CB -0.876 62.177 63.200 -0.245 0.000 0.818 200 S HN 0.456 nan 8.310 nan 0.000 0.472 201 Y N 1.895 122.180 120.300 -0.025 0.000 2.256 201 Y HA 0.019 4.609 4.550 0.067 0.000 0.288 201 Y C 2.143 178.036 175.900 -0.012 0.000 1.155 201 Y CA 0.672 58.764 58.100 -0.014 0.000 1.203 201 Y CB -0.542 37.917 38.460 -0.002 0.000 0.980 201 Y HN 0.230 nan 8.280 nan 0.000 0.530 202 L N -0.642 120.644 121.223 0.106 0.000 2.591 202 L HA 0.196 4.576 4.340 0.066 0.000 0.228 202 L C 1.633 178.511 176.870 0.012 0.000 1.133 202 L CA 0.656 55.532 54.840 0.060 0.000 0.880 202 L CB -0.389 41.695 42.059 0.042 0.000 1.033 202 L HN 0.474 nan 8.230 nan 0.000 0.450 203 G N 0.420 109.214 108.800 -0.010 0.000 2.136 203 G HA2 -0.246 3.754 3.960 0.066 0.000 0.242 203 G HA3 -0.246 3.754 3.960 0.066 0.000 0.242 203 G C 0.033 174.886 174.900 -0.078 0.000 0.989 203 G CA -0.049 45.029 45.100 -0.037 0.000 0.682 203 G HN 0.225 nan 8.290 nan 0.000 0.522 204 L N -0.845 120.320 121.223 -0.097 0.000 2.313 204 L HA 0.697 5.077 4.340 0.066 0.000 0.268 204 L C 0.480 177.226 176.870 -0.207 0.000 1.010 204 L CA -1.200 53.553 54.840 -0.146 0.000 0.814 204 L CB 1.661 43.661 42.059 -0.098 0.000 1.304 204 L HN 0.020 nan 8.230 nan 0.000 0.441 205 K N 1.040 121.233 120.400 -0.344 0.000 2.156 205 K HA 0.474 4.833 4.320 0.066 0.000 0.250 205 K C -2.577 173.916 176.600 -0.179 0.000 0.955 205 K CA -1.811 54.266 56.287 -0.350 0.000 0.855 205 K CB 1.162 33.275 32.500 -0.646 0.000 1.101 205 K HN 0.215 nan 8.250 nan 0.000 0.434 206 P HA 0.018 nan 4.420 nan 0.000 0.271 206 P C -0.784 176.661 177.300 0.243 0.000 1.226 206 P CA -0.225 62.925 63.100 0.082 0.000 0.765 206 P CB 0.549 32.283 31.700 0.057 0.000 0.835 207 E N 6.098 126.443 120.200 0.241 0.000 2.480 207 E HA -0.035 4.355 4.350 0.066 0.000 0.258 207 E C -1.439 175.241 176.600 0.134 0.000 0.984 207 E CA -1.013 55.497 56.400 0.183 0.000 0.930 207 E CB -0.087 29.663 29.700 0.083 0.000 0.936 207 E HN 0.315 nan 8.360 nan 0.000 0.466 208 P HA -0.094 nan 4.420 nan 0.000 0.217 208 P C -0.640 176.708 177.300 0.079 0.000 1.150 208 P CA 0.879 64.028 63.100 0.082 0.000 0.832 208 P CB 0.251 31.976 31.700 0.041 0.000 0.787 209 V N -1.677 118.263 119.914 0.043 0.000 2.524 209 V HA 0.447 4.607 4.120 0.066 0.000 0.297 209 V C -0.047 176.048 176.094 0.002 0.000 1.035 209 V CA -0.924 61.398 62.300 0.037 0.000 0.867 209 V CB 1.462 33.295 31.823 0.017 0.000 1.004 209 V HN 0.008 nan 8.190 nan 0.000 0.426 210 S N 2.359 118.046 115.700 -0.021 0.000 2.718 210 S HA 0.845 5.355 4.470 0.066 0.000 0.300 210 S C 0.382 174.946 174.600 -0.060 0.000 1.117 210 S CA 0.015 58.191 58.200 -0.041 0.000 1.002 210 S CB 2.086 65.257 63.200 -0.049 0.000 1.092 210 S HN 0.990 nan 8.310 nan 0.000 0.542 211 T N -1.463 113.065 114.554 -0.044 0.000 3.123 211 T HA 0.271 4.661 4.350 0.066 0.000 0.266 211 T C 1.265 175.933 174.700 -0.053 0.000 1.170 211 T CA -0.103 61.973 62.100 -0.039 0.000 0.978 211 T CB -0.657 68.209 68.868 -0.003 0.000 2.402 211 T HN 0.643 nan 8.240 nan 0.000 0.525 212 Q N -0.337 119.449 119.800 -0.025 0.000 2.437 212 Q HA 0.159 4.539 4.340 0.066 0.000 0.210 212 Q C -0.109 175.877 176.000 -0.023 0.000 0.972 212 Q CA 0.482 56.270 55.803 -0.026 0.000 0.903 212 Q CB 0.015 28.755 28.738 0.004 0.000 0.967 212 Q HN 0.418 nan 8.270 nan 0.000 0.486 213 V N -0.325 119.576 119.914 -0.022 0.000 3.078 213 V HA 0.273 4.433 4.120 0.066 0.000 0.311 213 V C -0.731 175.352 176.094 -0.017 0.000 1.138 213 V CA -0.982 61.303 62.300 -0.025 0.000 1.007 213 V CB 2.424 34.218 31.823 -0.047 0.000 1.045 213 V HN -0.099 nan 8.190 nan 0.000 0.432 214 V N 6.108 126.030 119.914 0.014 0.000 2.585 214 V HA 0.188 4.347 4.120 0.066 0.000 0.296 214 V C -1.940 174.193 176.094 0.064 0.000 1.035 214 V CA -1.051 61.287 62.300 0.063 0.000 1.084 214 V CB 0.993 32.903 31.823 0.145 0.000 0.953 214 V HN 0.772 nan 8.190 nan 0.000 0.483 215 P HA 0.096 nan 4.420 nan 0.000 0.264 215 P C -0.039 177.333 177.300 0.120 0.000 1.193 215 P CA -0.257 62.862 63.100 0.032 0.000 0.763 215 P CB 0.733 32.432 31.700 -0.001 0.000 0.810 216 R N 2.031 122.579 120.500 0.080 0.000 2.313 216 R HA -0.033 4.347 4.340 0.066 0.000 0.199 216 R C 1.608 178.049 176.300 0.236 0.000 0.958 216 R CA 0.600 56.805 56.100 0.175 0.000 1.047 216 R CB -0.699 29.578 30.300 -0.038 0.000 0.955 216 R HN 0.556 nan 8.270 nan 0.000 0.481 217 D N -0.232 120.256 120.400 0.146 0.000 2.219 217 D HA -0.200 4.479 4.640 0.066 0.000 0.205 217 D C 1.155 177.550 176.300 0.158 0.000 0.970 217 D CA 0.848 54.929 54.000 0.135 0.000 0.851 217 D CB -0.063 40.781 40.800 0.073 0.000 0.943 217 D HN 0.195 nan 8.370 nan 0.000 0.488 218 R N -0.031 120.523 120.500 0.089 0.000 2.073 218 R HA -0.101 4.279 4.340 0.066 0.000 0.234 218 R C 2.360 178.672 176.300 0.020 0.000 1.134 218 R CA 1.544 57.628 56.100 -0.027 0.000 0.952 218 R CB -0.611 29.541 30.300 -0.247 0.000 0.850 218 R HN 0.402 nan 8.270 nan 0.000 0.433 219 H N 0.249 119.386 119.070 0.112 0.000 2.423 219 H HA 0.068 4.668 4.556 0.073 0.000 0.297 219 H C 2.004 177.468 175.328 0.227 0.000 1.075 219 H CA 1.232 57.357 56.048 0.127 0.000 1.342 219 H CB -0.181 29.688 29.762 0.179 0.000 1.395 219 H HN 0.298 nan 8.280 nan 0.000 0.530 220 A N 0.513 123.531 122.820 0.331 0.000 1.930 220 A HA -0.136 4.223 4.320 0.066 0.000 0.217 220 A C 2.109 179.823 177.584 0.217 0.000 1.175 220 A CA 1.142 53.328 52.037 0.248 0.000 0.627 220 A CB -0.911 18.203 19.000 0.191 0.000 0.815 220 A HN 0.435 nan 8.150 nan 0.000 0.443 221 F N -0.928 119.100 119.950 0.131 0.000 2.102 221 F HA -0.204 4.328 4.527 0.009 0.000 0.298 221 F C 2.131 178.016 175.800 0.143 0.000 1.105 221 F CA 2.044 60.107 58.000 0.105 0.000 1.239 221 F CB -0.458 38.583 39.000 0.068 0.000 0.991 221 F HN 0.381 nan 8.300 nan 0.000 0.474 222 Y N 0.587 120.987 120.300 0.166 0.000 2.128 222 Y HA -0.244 4.343 4.550 0.061 0.000 0.284 222 Y C 2.026 177.928 175.900 0.004 0.000 1.154 222 Y CA 2.139 60.287 58.100 0.079 0.000 1.149 222 Y CB -0.430 38.081 38.460 0.084 0.000 0.976 222 Y HN 0.087 nan 8.280 nan 0.000 0.505 223 L N -1.161 120.228 121.223 0.277 0.000 2.109 223 L HA -0.182 4.198 4.340 0.066 0.000 0.207 223 L C 2.511 179.407 176.870 0.043 0.000 1.086 223 L CA 1.136 56.089 54.840 0.189 0.000 0.760 223 L CB -0.616 41.605 42.059 0.270 0.000 0.910 223 L HN 0.110 nan 8.230 nan 0.000 0.437 224 S N -0.509 115.179 115.700 -0.020 0.000 2.359 224 S HA -0.209 4.301 4.470 0.066 0.000 0.224 224 S C 2.020 176.507 174.600 -0.188 0.000 1.035 224 S CA 2.032 60.167 58.200 -0.108 0.000 1.018 224 S CB -0.426 62.657 63.200 -0.195 0.000 0.876 224 S HN 0.438 nan 8.310 nan 0.000 0.448 225 T N 2.601 116.966 114.554 -0.316 0.000 2.720 225 T HA -0.053 4.336 4.350 0.066 0.000 0.268 225 T C 1.677 176.269 174.700 -0.180 0.000 1.037 225 T CA 0.981 62.914 62.100 -0.278 0.000 1.144 225 T CB -0.419 68.257 68.868 -0.320 0.000 0.864 225 T HN 0.088 nan 8.240 nan 0.000 0.444 226 L N 1.150 122.266 121.223 -0.179 0.000 2.042 226 L HA -0.002 4.378 4.340 0.066 0.000 0.210 226 L C 2.756 179.595 176.870 -0.051 0.000 1.076 226 L CA 1.581 56.352 54.840 -0.114 0.000 0.749 226 L CB -1.233 40.777 42.059 -0.082 0.000 0.893 226 L HN 0.264 nan 8.230 nan 0.000 0.432 227 A N -1.041 121.757 122.820 -0.036 0.000 2.014 227 A HA -0.094 4.266 4.320 0.066 0.000 0.218 227 A C 2.308 179.867 177.584 -0.043 0.000 1.163 227 A CA 1.175 53.196 52.037 -0.026 0.000 0.652 227 A CB -0.578 18.411 19.000 -0.018 0.000 0.808 227 A HN 0.387 nan 8.150 nan 0.000 0.449 228 I N -0.494 120.040 120.570 -0.060 0.000 2.252 228 I HA -0.183 4.027 4.170 0.066 0.000 0.245 228 I C 2.255 178.348 176.117 -0.041 0.000 1.102 228 I CA 0.928 62.195 61.300 -0.054 0.000 1.385 228 I CB -0.243 37.716 38.000 -0.069 0.000 1.064 228 I HN 0.143 nan 8.210 nan 0.000 0.414 229 V N 1.119 121.007 119.914 -0.043 0.000 2.343 229 V HA -0.278 3.882 4.120 0.066 0.000 0.247 229 V C 2.762 178.847 176.094 -0.014 0.000 1.051 229 V CA 1.921 64.209 62.300 -0.021 0.000 1.036 229 V CB -1.091 30.720 31.823 -0.020 0.000 0.654 229 V HN 0.481 nan 8.190 nan 0.000 0.451 230 A N 0.208 123.013 122.820 -0.025 0.000 1.908 230 A HA -0.164 4.196 4.320 0.066 0.000 0.218 230 A C 2.399 179.959 177.584 -0.041 0.000 1.181 230 A CA 2.253 54.270 52.037 -0.033 0.000 0.627 230 A CB -0.785 18.195 19.000 -0.034 0.000 0.818 230 A HN 0.594 nan 8.150 nan 0.000 0.445 231 A N -0.746 122.051 122.820 -0.039 0.000 2.015 231 A HA 0.201 4.561 4.320 0.066 0.000 0.219 231 A C 2.322 179.883 177.584 -0.039 0.000 1.163 231 A CA 1.693 53.706 52.037 -0.040 0.000 0.646 231 A CB -1.135 17.845 19.000 -0.034 0.000 0.806 231 A HN 0.695 nan 8.150 nan 0.000 0.448 232 G N 0.114 108.897 108.800 -0.028 0.000 2.408 232 G HA2 -0.137 3.863 3.960 0.066 0.000 0.217 232 G HA3 -0.137 3.863 3.960 0.066 0.000 0.217 232 G C 1.493 176.363 174.900 -0.050 0.000 1.150 232 G CA 1.023 46.107 45.100 -0.026 0.000 0.776 232 G HN 0.469 nan 8.290 nan 0.000 0.542 233 I N 0.508 121.063 120.570 -0.024 0.000 2.226 233 I HA -0.167 4.043 4.170 0.066 0.000 0.245 233 I C 2.644 178.696 176.117 -0.108 0.000 1.100 233 I CA 1.449 62.720 61.300 -0.047 0.000 1.374 233 I CB -0.205 37.759 38.000 -0.060 0.000 1.057 233 I HN 0.284 nan 8.210 nan 0.000 0.413 234 E N 1.327 121.474 120.200 -0.089 0.000 2.118 234 E HA -0.293 4.097 4.350 0.066 0.000 0.195 234 E C 2.351 178.888 176.600 -0.104 0.000 0.992 234 E CA 1.220 57.566 56.400 -0.090 0.000 0.804 234 E CB -0.001 29.659 29.700 -0.067 0.000 0.741 234 E HN 0.336 nan 8.360 nan 0.000 0.458 235 R N 0.279 120.714 120.500 -0.110 0.000 2.081 235 R HA -0.108 4.271 4.340 0.066 0.000 0.235 235 R C 2.451 178.613 176.300 -0.231 0.000 1.131 235 R CA 1.471 57.506 56.100 -0.108 0.000 0.960 235 R CB -0.189 30.072 30.300 -0.065 0.000 0.856 235 R HN 0.239 nan 8.270 nan 0.000 0.436 236 I N 0.445 120.747 120.570 -0.446 0.000 2.226 236 I HA -0.248 3.961 4.170 0.066 0.000 0.245 236 I C 2.523 178.376 176.117 -0.440 0.000 1.100 236 I CA 1.365 62.168 61.300 -0.829 0.000 1.374 236 I CB -0.393 37.075 38.000 -0.887 0.000 1.057 236 I HN 0.280 nan 8.210 nan 0.000 0.413 237 A N 0.303 122.973 122.820 -0.250 0.000 1.930 237 A HA -0.103 4.257 4.320 0.066 0.000 0.217 237 A C 2.429 179.946 177.584 -0.111 0.000 1.175 237 A CA 1.342 53.290 52.037 -0.147 0.000 0.627 237 A CB -0.833 18.100 19.000 -0.113 0.000 0.815 237 A HN 0.230 nan 8.150 nan 0.000 0.443 238 V N 0.046 119.898 119.914 -0.104 0.000 2.427 238 V HA -0.237 3.923 4.120 0.066 0.000 0.248 238 V C 2.559 178.647 176.094 -0.011 0.000 1.051 238 V CA 2.376 64.616 62.300 -0.100 0.000 1.048 238 V CB -0.618 31.172 31.823 -0.055 0.000 0.666 238 V HN 0.743 nan 8.190 nan 0.000 0.456 239 E N 0.560 120.810 120.200 0.084 0.000 2.085 239 E HA -0.220 4.170 4.350 0.066 0.000 0.194 239 E C 1.955 178.684 176.600 0.215 0.000 0.994 239 E CA 1.787 58.334 56.400 0.246 0.000 0.801 239 E CB -0.320 29.593 29.700 0.355 0.000 0.743 239 E HN 0.617 nan 8.360 nan 0.000 0.453 240 I N 0.004 120.642 120.570 0.113 0.000 2.315 240 I HA -0.229 3.981 4.170 0.066 0.000 0.248 240 I C 2.460 178.615 176.117 0.063 0.000 1.117 240 I CA 0.958 62.327 61.300 0.115 0.000 1.404 240 I CB -0.258 37.785 38.000 0.071 0.000 1.071 240 I HN 0.073 nan 8.210 nan 0.000 0.419 241 R N -0.136 120.358 120.500 -0.012 0.000 2.096 241 R HA -0.196 4.184 4.340 0.066 0.000 0.240 241 R C 2.383 178.667 176.300 -0.027 0.000 1.139 241 R CA 1.423 57.485 56.100 -0.063 0.000 0.952 241 R CB -0.563 29.640 30.300 -0.163 0.000 0.854 241 R HN 0.464 nan 8.270 nan 0.000 0.436 242 H N 0.516 119.616 119.070 0.051 0.000 2.357 242 H HA -0.024 4.572 4.556 0.065 0.000 0.301 242 H C 2.187 177.550 175.328 0.059 0.000 1.082 242 H CA 1.218 57.299 56.048 0.055 0.000 1.342 242 H CB -0.114 29.689 29.762 0.068 0.000 1.389 242 H HN 0.172 nan 8.280 nan 0.000 0.511 243 L N 0.494 121.843 121.223 0.210 0.000 2.362 243 L HA -0.122 4.258 4.340 0.066 0.000 0.219 243 L C 2.263 179.181 176.870 0.080 0.000 1.134 243 L CA 0.841 55.762 54.840 0.135 0.000 0.807 243 L CB -0.209 41.937 42.059 0.145 0.000 0.927 243 L HN 0.244 nan 8.230 nan 0.000 0.447 244 Q N 1.073 120.916 119.800 0.071 0.000 2.360 244 Q HA 0.009 4.389 4.340 0.066 0.000 0.202 244 Q C 0.905 176.924 176.000 0.033 0.000 0.915 244 Q CA -0.286 55.541 55.803 0.041 0.000 0.943 244 Q CB 0.420 29.179 28.738 0.035 0.000 1.064 244 Q HN 0.436 nan 8.270 nan 0.000 0.511 245 R N -0.596 119.934 120.500 0.050 0.000 2.784 245 R HA 0.058 4.437 4.340 0.066 0.000 0.266 245 R C 0.326 176.648 176.300 0.037 0.000 1.044 245 R CA 0.687 56.813 56.100 0.044 0.000 1.151 245 R CB 0.257 30.598 30.300 0.068 0.000 1.037 245 R HN -0.170 nan 8.270 nan 0.000 0.478 246 T N 1.552 116.123 114.554 0.029 0.000 2.833 246 T HA -0.109 4.281 4.350 0.066 0.000 0.269 246 T C 0.963 175.679 174.700 0.026 0.000 1.054 246 T CA 1.921 64.037 62.100 0.026 0.000 1.135 246 T CB -0.133 68.750 68.868 0.026 0.000 0.869 246 T HN 0.660 nan 8.240 nan 0.000 0.466 247 E N 0.138 120.356 120.200 0.030 0.000 2.427 247 E HA 0.063 4.453 4.350 0.066 0.000 0.196 247 E C 1.894 178.515 176.600 0.035 0.000 1.028 247 E CA 0.170 56.585 56.400 0.026 0.000 0.864 247 E CB 0.059 29.774 29.700 0.025 0.000 0.813 247 E HN 0.303 nan 8.360 nan 0.000 0.514 248 V N -0.561 119.379 119.914 0.043 0.000 2.721 248 V HA 0.039 4.199 4.120 0.066 0.000 0.236 248 V C 0.886 176.995 176.094 0.025 0.000 1.116 248 V CA 0.203 62.532 62.300 0.048 0.000 1.148 248 V CB -0.256 31.608 31.823 0.069 0.000 0.886 248 V HN 0.222 nan 8.190 nan 0.000 0.490 249 L N 0.883 122.118 121.223 0.021 0.000 3.742 249 L HA -0.300 4.080 4.340 0.066 0.000 0.431 249 L C 1.185 178.040 176.870 -0.025 0.000 1.220 249 L CA 0.568 55.410 54.840 0.004 0.000 0.863 249 L CB -1.774 40.287 42.059 0.005 0.000 1.751 249 L HN 0.460 nan 8.230 nan 0.000 0.922 250 E N -1.040 119.136 120.200 -0.040 0.000 2.340 250 E HA 0.196 4.585 4.350 0.066 0.000 0.194 250 E C 0.438 176.938 176.600 -0.166 0.000 0.996 250 E CA 0.402 56.728 56.400 -0.122 0.000 0.869 250 E CB 0.667 30.285 29.700 -0.137 0.000 0.835 250 E HN 0.353 nan 8.360 nan 0.000 0.493 251 V N 0.722 120.588 119.914 -0.079 0.000 3.087 251 V HA 0.276 4.436 4.120 0.066 0.000 0.306 251 V C -1.191 174.914 176.094 0.019 0.000 1.187 251 V CA -0.896 61.373 62.300 -0.052 0.000 0.999 251 V CB 2.403 34.232 31.823 0.010 0.000 1.049 251 V HN 0.016 nan 8.190 nan 0.000 0.431 252 E N 2.559 122.788 120.200 0.048 0.000 2.274 252 E HA 0.366 4.755 4.350 0.066 0.000 0.269 252 E C -0.565 176.108 176.600 0.122 0.000 0.891 252 E CA -0.552 55.897 56.400 0.082 0.000 0.784 252 E CB 1.734 31.489 29.700 0.090 0.000 1.225 252 E HN 0.897 nan 8.360 nan 0.000 0.412 253 E N 4.294 124.565 120.200 0.118 0.000 2.418 253 E HA 0.218 4.608 4.350 0.066 0.000 0.261 253 E C -2.112 174.598 176.600 0.184 0.000 1.070 253 E CA -1.595 54.880 56.400 0.126 0.000 0.931 253 E CB 0.217 29.973 29.700 0.093 0.000 0.954 253 E HN 0.148 nan 8.360 nan 0.000 0.439 254 P HA 0.045 nan 4.420 nan 0.000 0.268 254 P C -0.947 176.456 177.300 0.173 0.000 1.208 254 P CA 0.185 63.338 63.100 0.088 0.000 0.777 254 P CB 0.060 31.766 31.700 0.011 0.000 0.875 255 F N -2.522 117.438 119.950 0.017 0.000 2.662 255 F HA 0.875 5.441 4.527 0.066 0.000 0.312 255 F C 0.207 176.015 175.800 0.014 0.000 1.113 255 F CA -0.851 57.157 58.000 0.014 0.000 0.951 255 F CB 0.434 39.440 39.000 0.010 0.000 1.344 255 F HN 0.712 nan 8.300 nan 0.000 0.462 264 A N 3.957 126.829 122.820 0.087 0.000 2.386 264 A HA 0.633 4.993 4.320 0.066 0.000 0.248 264 A C 0.661 178.219 177.584 -0.043 0.000 1.082 264 A CA -0.419 51.602 52.037 -0.027 0.000 0.789 264 A CB -0.038 18.842 19.000 -0.200 0.000 1.025 264 A HN 0.818 nan 8.150 nan 0.000 0.490 265 M N 2.611 122.166 119.600 -0.076 0.000 2.238 265 M HA 0.101 4.620 4.480 0.066 0.000 0.350 265 M C -1.259 175.004 176.300 -0.061 0.000 1.321 265 M CA -1.823 53.455 55.300 -0.037 0.000 1.097 265 M CB 0.189 32.709 32.600 -0.133 0.000 1.713 265 M HN 0.492 nan 8.290 nan 0.000 0.455 266 P HA -0.116 nan 4.420 nan 0.000 0.225 266 P C 0.874 178.216 177.300 0.070 0.000 1.156 266 P CA 1.528 64.659 63.100 0.052 0.000 0.787 266 P CB -0.236 31.512 31.700 0.080 0.000 0.802 267 H N -0.844 118.193 119.070 -0.055 0.000 2.553 267 H HA 0.264 4.859 4.556 0.066 0.000 0.265 267 H C 0.551 175.844 175.328 -0.059 0.000 0.964 267 H CA 0.131 56.151 56.048 -0.047 0.000 1.156 267 H CB -0.300 29.443 29.762 -0.032 0.000 1.411 267 H HN 0.122 nan 8.280 nan 0.000 0.558 268 K N 1.596 121.747 120.400 -0.415 0.000 2.699 268 K HA 0.161 4.520 4.320 0.066 0.000 0.210 268 K C -0.254 176.196 176.600 -0.250 0.000 1.076 268 K CA -0.371 55.702 56.287 -0.357 0.000 1.109 268 K CB 0.851 33.081 32.500 -0.451 0.000 0.862 268 K HN -0.019 nan 8.250 nan 0.000 0.470 269 K N 2.066 122.336 120.400 -0.216 0.000 2.273 269 K HA 0.194 4.554 4.320 0.066 0.000 0.287 269 K C -0.412 176.110 176.600 -0.130 0.000 1.089 269 K CA -0.152 55.995 56.287 -0.232 0.000 0.909 269 K CB 0.381 32.734 32.500 -0.244 0.000 1.123 269 K HN 0.110 nan 8.250 nan 0.000 0.473 270 N N 3.564 122.197 118.700 -0.110 0.000 2.443 270 N HA 0.251 5.031 4.740 0.066 0.000 0.295 270 N C -2.344 173.150 175.510 -0.028 0.000 1.076 270 N CA -1.751 51.263 53.050 -0.060 0.000 0.919 270 N CB 1.407 39.861 38.487 -0.056 0.000 1.176 270 N HN 0.205 nan 8.380 nan 0.000 0.487 271 P HA 0.172 nan 4.420 nan 0.000 0.220 271 P C 0.606 177.907 177.300 0.001 0.000 1.806 271 P CA -0.263 62.837 63.100 0.002 0.000 0.976 271 P CB 0.096 31.794 31.700 -0.003 0.000 1.952 272 I N 1.032 121.609 120.570 0.012 0.000 2.353 272 I HA -0.131 4.079 4.170 0.066 0.000 0.248 272 I C 2.068 178.205 176.117 0.032 0.000 1.119 272 I CA 1.505 62.816 61.300 0.018 0.000 1.417 272 I CB -1.498 36.517 38.000 0.024 0.000 1.078 272 I HN 0.097 nan 8.210 nan 0.000 0.421 273 T N -0.550 114.029 114.554 0.042 0.000 2.812 273 T HA -0.157 4.233 4.350 0.066 0.000 0.264 273 T C 2.135 176.848 174.700 0.023 0.000 1.042 273 T CA 1.450 63.580 62.100 0.050 0.000 1.140 273 T CB -0.631 68.263 68.868 0.043 0.000 0.870 273 T HN 0.311 nan 8.240 nan 0.000 0.445 274 C N 1.586 120.887 119.300 0.001 0.000 2.422 274 C HA -0.037 4.462 4.460 0.066 0.000 0.279 274 C C 2.768 177.738 174.990 -0.034 0.000 1.305 274 C CA 0.513 59.515 59.018 -0.027 0.000 1.757 274 C CB -1.005 26.718 27.740 -0.029 0.000 1.962 274 C HN 0.620 nan 8.230 nan 0.000 0.499 275 E N 0.123 120.309 120.200 -0.023 0.000 2.107 275 E HA -0.163 4.227 4.350 0.066 0.000 0.191 275 E C 2.410 179.000 176.600 -0.018 0.000 0.982 275 E CA 0.515 56.898 56.400 -0.029 0.000 0.809 275 E CB -0.222 29.464 29.700 -0.023 0.000 0.756 275 E HN 0.538 nan 8.360 nan 0.000 0.459 276 R N 1.082 121.586 120.500 0.007 0.000 2.083 276 R HA -0.157 4.223 4.340 0.066 0.000 0.237 276 R C 2.251 178.549 176.300 -0.003 0.000 1.137 276 R CA 1.157 57.270 56.100 0.022 0.000 0.951 276 R CB -0.237 30.114 30.300 0.084 0.000 0.851 276 R HN 0.169 nan 8.270 nan 0.000 0.434 277 L N 0.035 121.255 121.223 -0.005 0.000 2.083 277 L HA -0.151 4.228 4.340 0.066 0.000 0.209 277 L C 2.421 179.255 176.870 -0.060 0.000 1.083 277 L CA 1.680 56.499 54.840 -0.034 0.000 0.752 277 L CB -0.576 41.448 42.059 -0.058 0.000 0.899 277 L HN 0.310 nan 8.230 nan 0.000 0.433 278 T N -0.321 114.198 114.554 -0.058 0.000 2.684 278 T HA -0.154 4.235 4.350 0.066 0.000 0.267 278 T C 1.845 176.505 174.700 -0.066 0.000 1.036 278 T CA 1.486 63.548 62.100 -0.064 0.000 1.148 278 T CB -0.637 68.193 68.868 -0.063 0.000 0.863 278 T HN 0.556 nan 8.240 nan 0.000 0.436 279 G N 1.218 109.981 108.800 -0.061 0.000 2.408 279 G HA2 -0.091 3.908 3.960 0.066 0.000 0.217 279 G HA3 -0.091 3.908 3.960 0.066 0.000 0.217 279 G C 1.503 176.345 174.900 -0.097 0.000 1.150 279 G CA 0.371 45.430 45.100 -0.068 0.000 0.776 279 G HN 0.445 nan 8.290 nan 0.000 0.542 280 L N 0.722 121.876 121.223 -0.116 0.000 2.131 280 L HA -0.062 4.318 4.340 0.066 0.000 0.210 280 L C 3.055 179.851 176.870 -0.125 0.000 1.092 280 L CA 1.128 55.872 54.840 -0.159 0.000 0.759 280 L CB -0.379 41.553 42.059 -0.212 0.000 0.903 280 L HN 0.342 nan 8.230 nan 0.000 0.435 281 S N 0.126 115.767 115.700 -0.099 0.000 2.382 281 S HA -0.170 4.340 4.470 0.066 0.000 0.228 281 S C 2.113 176.649 174.600 -0.107 0.000 1.027 281 S CA 1.181 59.328 58.200 -0.088 0.000 0.991 281 S CB -0.072 63.083 63.200 -0.074 0.000 0.823 281 S HN 0.359 nan 8.310 nan 0.000 0.469 282 R N -0.092 120.340 120.500 -0.113 0.000 2.120 282 R HA 0.045 4.424 4.340 0.066 0.000 0.234 282 R C 2.272 178.454 176.300 -0.198 0.000 1.123 282 R CA 1.363 57.387 56.100 -0.127 0.000 0.975 282 R CB -0.207 30.032 30.300 -0.103 0.000 0.866 282 R HN 0.418 nan 8.270 nan 0.000 0.446 283 M N -0.429 119.025 119.600 -0.242 0.000 2.236 283 M HA -0.014 4.506 4.480 0.066 0.000 0.266 283 M C 2.059 177.946 176.300 -0.687 0.000 1.070 283 M CA 1.304 56.342 55.300 -0.436 0.000 1.137 283 M CB -0.413 32.001 32.600 -0.309 0.000 1.378 283 M HN 0.111 nan 8.290 nan 0.000 0.426 284 M N 0.438 119.854 119.600 -0.306 0.000 2.117 284 M HA -0.169 4.350 4.480 0.066 0.000 0.262 284 M C 2.177 178.407 176.300 -0.117 0.000 1.065 284 M CA 1.686 56.915 55.300 -0.118 0.000 1.114 284 M CB -1.237 31.352 32.600 -0.018 0.000 1.361 284 M HN 0.356 nan 8.290 nan 0.000 0.408 285 R N 0.180 120.597 120.500 -0.138 0.000 2.148 285 R HA 0.105 4.485 4.340 0.066 0.000 0.223 285 R C 2.044 178.267 176.300 -0.127 0.000 1.088 285 R CA 1.295 57.338 56.100 -0.096 0.000 0.985 285 R CB -0.830 29.425 30.300 -0.075 0.000 0.880 285 R HN 0.221 nan 8.270 nan 0.000 0.451 286 A N 1.250 123.920 122.820 -0.250 0.000 1.972 286 A HA -0.120 4.240 4.320 0.066 0.000 0.219 286 A C 1.660 179.154 177.584 -0.150 0.000 1.169 286 A CA 0.888 52.781 52.037 -0.240 0.000 0.635 286 A CB -0.844 17.948 19.000 -0.347 0.000 0.810 286 A HN 0.546 nan 8.150 nan 0.000 0.446 287 Y N -0.766 119.529 120.300 -0.008 0.000 2.571 287 Y HA -0.072 4.516 4.550 0.063 0.000 0.294 287 Y C 2.247 178.161 175.900 0.024 0.000 1.141 287 Y CA 0.160 58.264 58.100 0.008 0.000 1.308 287 Y CB -0.124 38.356 38.460 0.034 0.000 1.002 287 Y HN 0.143 nan 8.280 nan 0.000 0.551 288 V N -0.059 119.936 119.914 0.135 0.000 2.307 288 V HA -0.270 3.890 4.120 0.066 0.000 0.245 288 V C 1.630 177.770 176.094 0.077 0.000 1.045 288 V CA 1.993 64.351 62.300 0.097 0.000 1.024 288 V CB -0.460 31.389 31.823 0.044 0.000 0.651 288 V HN 0.311 nan 8.190 nan 0.000 0.449 289 D N -0.163 120.266 120.400 0.048 0.000 2.104 289 D HA -0.113 4.567 4.640 0.066 0.000 0.194 289 D C -0.276 176.049 176.300 0.042 0.000 0.994 289 D CA 1.782 55.803 54.000 0.035 0.000 0.830 289 D CB -1.508 39.299 40.800 0.012 0.000 0.959 289 D HN 0.393 nan 8.370 nan 0.000 0.452 290 P HA -0.046 nan 4.420 nan 0.000 0.216 290 P C 1.331 178.661 177.300 0.051 0.000 1.153 290 P CA 1.288 64.409 63.100 0.036 0.000 0.848 290 P CB 0.050 31.766 31.700 0.026 0.000 0.787 291 S N 0.456 116.209 115.700 0.088 0.000 2.370 291 S HA -0.107 4.403 4.470 0.066 0.000 0.226 291 S C 2.100 176.761 174.600 0.102 0.000 1.033 291 S CA 1.151 59.420 58.200 0.114 0.000 1.011 291 S CB -1.240 62.063 63.200 0.172 0.000 0.852 291 S HN 0.121 nan 8.310 nan 0.000 0.457 292 L N 1.158 122.433 121.223 0.086 0.000 2.083 292 L HA -0.149 4.230 4.340 0.066 0.000 0.209 292 L C 2.238 179.144 176.870 0.060 0.000 1.083 292 L CA 1.285 56.170 54.840 0.075 0.000 0.752 292 L CB -0.658 41.437 42.059 0.060 0.000 0.899 292 L HN 0.347 nan 8.230 nan 0.000 0.433 293 E N -1.423 118.805 120.200 0.047 0.000 2.489 293 E HA -0.063 4.327 4.350 0.066 0.000 0.193 293 E C 1.395 178.017 176.600 0.037 0.000 1.057 293 E CA 0.162 56.586 56.400 0.040 0.000 0.866 293 E CB -0.431 29.287 29.700 0.029 0.000 0.916 293 E HN 0.264 nan 8.360 nan 0.000 0.500 294 N N 0.711 119.435 118.700 0.040 0.000 2.453 294 N HA -0.035 4.744 4.740 0.066 0.000 0.183 294 N C 1.303 176.831 175.510 0.029 0.000 1.041 294 N CA 0.635 53.708 53.050 0.038 0.000 0.900 294 N CB -0.041 38.470 38.487 0.040 0.000 0.961 294 N HN 0.321 nan 8.380 nan 0.000 0.443 295 I N 0.646 121.243 120.570 0.045 0.000 2.179 295 I HA -0.162 4.048 4.170 0.066 0.000 0.242 295 I C 1.072 177.215 176.117 0.044 0.000 1.088 295 I CA 0.660 61.988 61.300 0.046 0.000 1.357 295 I CB -0.212 37.825 38.000 0.061 0.000 1.051 295 I HN 0.008 nan 8.210 nan 0.000 0.409 296 A N 2.113 124.968 122.820 0.059 0.000 3.063 296 A HA 0.378 4.738 4.320 0.066 0.000 0.263 296 A C 0.278 177.940 177.584 0.130 0.000 1.736 296 A CA -0.201 51.885 52.037 0.083 0.000 1.408 296 A CB -1.147 17.905 19.000 0.088 0.000 1.108 296 A HN 0.250 nan 8.150 nan 0.000 0.621 297 L N 0.313 121.597 121.223 0.100 0.000 2.452 297 L HA 0.136 4.516 4.340 0.066 0.000 0.267 297 L C -0.001 177.013 176.870 0.241 0.000 1.188 297 L CA -0.598 54.316 54.840 0.124 0.000 0.821 297 L CB 0.381 42.479 42.059 0.065 0.000 1.102 297 L HN 0.549 nan 8.230 nan 0.000 0.470 298 W N 3.316 124.578 121.300 -0.064 0.000 2.304 298 W HA 0.243 4.942 4.660 0.064 0.000 0.313 298 W C 1.027 177.482 176.519 -0.105 0.000 1.323 298 W CA -0.275 56.961 57.345 -0.182 0.000 1.223 298 W CB -0.485 28.895 29.460 -0.134 0.000 1.237 298 W HN 0.552 nan 8.180 nan 0.000 0.535 299 H N 1.397 120.566 119.070 0.165 0.000 1.452 299 H HA -0.310 4.286 4.556 0.066 0.000 0.090 299 H C 0.900 176.274 175.328 0.076 0.000 0.985 299 H CA 1.989 58.090 56.048 0.088 0.000 1.901 299 H CB -1.000 28.811 29.762 0.082 0.000 2.257 299 H HN 0.357 nan 8.280 nan 0.000 0.961 300 E N 2.512 122.851 120.200 0.232 0.000 2.474 300 E HA 0.190 4.580 4.350 0.066 0.000 0.195 300 E C 0.045 176.702 176.600 0.096 0.000 1.039 300 E CA 0.695 57.163 56.400 0.113 0.000 0.881 300 E CB 0.351 30.092 29.700 0.068 0.000 0.970 300 E HN 0.460 nan 8.360 nan 0.000 0.486 301 R N -1.236 119.347 120.500 0.137 0.000 4.969 301 R HA 0.151 4.531 4.340 0.066 0.000 0.252 301 R C -2.041 174.337 176.300 0.131 0.000 0.937 301 R CA -0.577 55.592 56.100 0.115 0.000 1.204 301 R CB -0.791 29.562 30.300 0.089 0.000 1.269 301 R HN -0.004 nan 8.270 nan 0.000 0.655 302 D N 0.962 121.420 120.400 0.096 0.000 2.467 302 D HA 0.459 5.139 4.640 0.066 0.000 0.245 302 D C -0.117 176.199 176.300 0.026 0.000 1.038 302 D CA -1.067 52.939 54.000 0.010 0.000 1.038 302 D CB 1.291 41.992 40.800 -0.166 0.000 1.278 302 D HN 0.557 nan 8.370 nan 0.000 0.564 303 I N 0.730 121.244 120.570 -0.094 0.000 3.914 303 I HA 0.009 4.219 4.170 0.066 0.000 0.333 303 I C 1.332 177.232 176.117 -0.361 0.000 1.449 303 I CA 0.054 61.214 61.300 -0.235 0.000 1.135 303 I CB -0.130 37.752 38.000 -0.196 0.000 1.073 303 I HN 0.551 nan 8.210 nan 0.000 0.401 304 S N 0.582 116.142 115.700 -0.232 0.000 2.383 304 S HA -0.296 4.214 4.470 0.066 0.000 0.229 304 S C 2.165 176.638 174.600 -0.212 0.000 1.030 304 S CA 1.654 59.727 58.200 -0.212 0.000 1.002 304 S CB -0.742 62.346 63.200 -0.186 0.000 0.829 304 S HN 0.720 nan 8.310 nan 0.000 0.467 305 H N 0.564 119.555 119.070 -0.131 0.000 2.456 305 H HA 0.053 4.650 4.556 0.068 0.000 0.296 305 H C 2.163 177.385 175.328 -0.175 0.000 1.079 305 H CA 1.315 57.277 56.048 -0.143 0.000 1.322 305 H CB -0.764 28.915 29.762 -0.137 0.000 1.388 305 H HN 0.543 nan 8.280 nan 0.000 0.538 306 S N 1.255 116.470 115.700 -0.808 0.000 2.359 306 S HA -0.218 4.292 4.470 0.066 0.000 0.224 306 S C 2.529 176.968 174.600 -0.269 0.000 1.035 306 S CA 2.076 59.981 58.200 -0.492 0.000 1.018 306 S CB -0.544 62.383 63.200 -0.455 0.000 0.876 306 S HN 0.754 nan 8.310 nan 0.000 0.448 307 S N 0.844 116.418 115.700 -0.211 0.000 2.368 307 S HA -0.050 4.460 4.470 0.066 0.000 0.224 307 S C 1.883 176.483 174.600 0.001 0.000 1.029 307 S CA 1.311 59.460 58.200 -0.084 0.000 0.988 307 S CB -1.049 62.119 63.200 -0.054 0.000 0.838 307 S HN 0.368 nan 8.310 nan 0.000 0.462 308 V N 2.578 122.449 119.914 -0.073 0.000 2.332 308 V HA -0.196 3.964 4.120 0.066 0.000 0.248 308 V C 2.715 178.714 176.094 -0.158 0.000 1.055 308 V CA 2.306 64.564 62.300 -0.070 0.000 1.038 308 V CB -0.911 30.855 31.823 -0.095 0.000 0.651 308 V HN 0.576 nan 8.190 nan 0.000 0.450 309 E N -0.435 119.549 120.200 -0.360 0.000 2.274 309 E HA -0.144 4.245 4.350 0.066 0.000 0.194 309 E C 2.396 178.630 176.600 -0.610 0.000 0.996 309 E CA 0.509 56.410 56.400 -0.830 0.000 0.840 309 E CB -0.123 28.888 29.700 -1.148 0.000 0.772 309 E HN 0.556 nan 8.360 nan 0.000 0.491 310 R N -0.298 120.004 120.500 -0.330 0.000 2.152 310 R HA -0.134 4.246 4.340 0.066 0.000 0.232 310 R C 1.548 177.620 176.300 -0.380 0.000 1.117 310 R CA 1.197 57.113 56.100 -0.306 0.000 0.981 310 R CB -0.116 30.012 30.300 -0.288 0.000 0.870 310 R HN 0.260 nan 8.270 nan 0.000 0.451 311 Y N -0.714 119.417 120.300 -0.281 0.000 2.201 311 Y HA -0.074 4.515 4.550 0.065 0.000 0.292 311 Y C 2.347 177.998 175.900 -0.416 0.000 1.119 311 Y CA 0.638 58.574 58.100 -0.273 0.000 1.127 311 Y CB -0.412 37.932 38.460 -0.194 0.000 1.019 311 Y HN -0.242 nan 8.280 nan 0.000 0.514 312 V N -0.340 119.411 119.914 -0.271 0.000 2.379 312 V HA -0.243 3.917 4.120 0.066 0.000 0.245 312 V C 2.077 178.011 176.094 -0.267 0.000 1.044 312 V CA 1.574 63.609 62.300 -0.441 0.000 1.036 312 V CB -0.786 30.884 31.823 -0.254 0.000 0.664 312 V HN 0.369 nan 8.190 nan 0.000 0.453 313 F N 0.376 120.101 119.950 -0.374 0.000 2.046 313 F HA -0.129 4.440 4.527 0.070 0.000 0.297 313 F C 0.277 175.527 175.800 -0.916 0.000 1.123 313 F CA 1.359 59.081 58.000 -0.464 0.000 1.199 313 F CB -1.723 37.064 39.000 -0.355 0.000 0.972 313 F HN 0.313 nan 8.300 nan 0.000 0.474 314 P HA -0.109 nan 4.420 nan 0.000 0.216 314 P C 0.709 177.643 177.300 -0.610 0.000 1.153 314 P CA 1.540 63.757 63.100 -1.471 0.000 0.848 314 P CB -0.076 31.041 31.700 -0.972 0.000 0.787 315 D N -0.455 119.700 120.400 -0.407 0.000 2.123 315 D HA -0.053 4.627 4.640 0.066 0.000 0.200 315 D C 2.057 178.285 176.300 -0.120 0.000 0.976 315 D CA 1.453 55.324 54.000 -0.215 0.000 0.831 315 D CB -0.839 39.841 40.800 -0.201 0.000 0.974 315 D HN 0.062 nan 8.370 nan 0.000 0.469 316 A N 0.747 123.430 122.820 -0.229 0.000 1.898 316 A HA -0.134 4.226 4.320 0.066 0.000 0.216 316 A C 2.350 180.000 177.584 0.110 0.000 1.181 316 A CA 2.443 54.501 52.037 0.035 0.000 0.620 316 A CB -1.000 18.048 19.000 0.080 0.000 0.819 316 A HN 0.372 nan 8.150 nan 0.000 0.442 317 T N -2.411 112.203 114.554 0.099 0.000 2.904 317 T HA -0.130 4.260 4.350 0.066 0.000 0.267 317 T C 1.852 176.700 174.700 0.247 0.000 1.059 317 T CA 1.468 63.700 62.100 0.220 0.000 1.137 317 T CB -0.306 68.788 68.868 0.378 0.000 0.879 317 T HN 0.576 nan 8.240 nan 0.000 0.467 318 Q N 0.421 120.335 119.800 0.191 0.000 2.137 318 Q HA 0.010 4.390 4.340 0.066 0.000 0.198 318 Q C 2.564 178.731 176.000 0.278 0.000 0.960 318 Q CA 1.485 57.453 55.803 0.275 0.000 0.847 318 Q CB -0.214 28.661 28.738 0.228 0.000 0.915 318 Q HN 0.515 nan 8.270 nan 0.000 0.448 319 T N 1.648 116.307 114.554 0.176 0.000 2.737 319 T HA -0.087 4.303 4.350 0.066 0.000 0.265 319 T C 1.757 176.526 174.700 0.116 0.000 1.038 319 T CA 0.630 62.781 62.100 0.085 0.000 1.144 319 T CB -0.168 68.726 68.868 0.043 0.000 0.866 319 T HN 0.187 nan 8.240 nan 0.000 0.434 320 L N -0.146 121.156 121.223 0.131 0.000 2.017 320 L HA -0.129 4.251 4.340 0.066 0.000 0.208 320 L C 2.404 179.348 176.870 0.123 0.000 1.073 320 L CA 1.792 56.690 54.840 0.097 0.000 0.745 320 L CB -0.459 41.655 42.059 0.091 0.000 0.894 320 L HN 0.305 nan 8.230 nan 0.000 0.432 321 Y N -0.280 120.073 120.300 0.088 0.000 2.081 321 Y HA -0.392 4.196 4.550 0.064 0.000 0.280 321 Y C 2.566 178.508 175.900 0.069 0.000 1.163 321 Y CA 2.160 60.310 58.100 0.083 0.000 1.135 321 Y CB -0.972 37.567 38.460 0.132 0.000 0.970 321 Y HN 0.262 nan 8.280 nan 0.000 0.498 322 Y N -0.065 120.223 120.300 -0.021 0.000 2.151 322 Y HA -0.360 4.229 4.550 0.065 0.000 0.284 322 Y C 2.395 178.183 175.900 -0.187 0.000 1.166 322 Y CA 2.379 60.418 58.100 -0.101 0.000 1.163 322 Y CB -0.425 38.072 38.460 0.061 0.000 0.974 322 Y HN 0.193 nan 8.280 nan 0.000 0.511 323 M N -0.654 118.915 119.600 -0.052 0.000 2.117 323 M HA -0.207 4.313 4.480 0.066 0.000 0.262 323 M C 2.100 178.191 176.300 -0.349 0.000 1.065 323 M CA 1.845 57.048 55.300 -0.162 0.000 1.114 323 M CB -0.382 32.172 32.600 -0.077 0.000 1.361 323 M HN 0.289 nan 8.290 nan 0.000 0.408 324 I N -0.683 119.682 120.570 -0.341 0.000 2.179 324 I HA -0.248 3.962 4.170 0.066 0.000 0.242 324 I C 2.306 178.085 176.117 -0.564 0.000 1.088 324 I CA 1.045 62.072 61.300 -0.454 0.000 1.357 324 I CB -0.440 37.413 38.000 -0.246 0.000 1.051 324 I HN 0.056 nan 8.210 nan 0.000 0.409 325 V N 0.498 120.072 119.914 -0.566 0.000 2.358 325 V HA -0.259 3.900 4.120 0.066 0.000 0.246 325 V C 2.496 178.308 176.094 -0.469 0.000 1.047 325 V CA 2.462 64.453 62.300 -0.516 0.000 1.035 325 V CB -0.871 30.573 31.823 -0.632 0.000 0.658 325 V HN 0.479 nan 8.190 nan 0.000 0.452 326 T N 0.335 114.539 114.554 -0.583 0.000 2.777 326 T HA -0.088 4.302 4.350 0.066 0.000 0.266 326 T C 2.062 176.547 174.700 -0.359 0.000 1.040 326 T CA 1.446 63.254 62.100 -0.487 0.000 1.141 326 T CB -0.390 68.087 68.868 -0.652 0.000 0.868 326 T HN 0.547 nan 8.240 nan 0.000 0.444 327 A N 1.496 124.044 122.820 -0.453 0.000 1.933 327 A HA -0.111 4.249 4.320 0.066 0.000 0.218 327 A C 2.537 179.880 177.584 -0.401 0.000 1.175 327 A CA 1.961 53.731 52.037 -0.446 0.000 0.628 327 A CB -1.289 17.301 19.000 -0.682 0.000 0.814 327 A HN 0.464 nan 8.150 nan 0.000 0.444 328 T N 0.360 114.575 114.554 -0.564 0.000 2.665 328 T HA -0.203 4.187 4.350 0.066 0.000 0.268 328 T C 1.964 176.669 174.700 0.007 0.000 1.035 328 T CA 1.487 63.509 62.100 -0.130 0.000 1.151 328 T CB -0.487 68.306 68.868 -0.124 0.000 0.862 328 T HN 0.684 nan 8.240 nan 0.000 0.438 329 N N 0.664 119.318 118.700 -0.077 0.000 2.142 329 N HA -0.112 4.667 4.740 0.066 0.000 0.186 329 N C 1.936 177.453 175.510 0.012 0.000 1.023 329 N CA 1.160 54.192 53.050 -0.030 0.000 0.852 329 N CB -0.143 38.301 38.487 -0.072 0.000 0.998 329 N HN 0.206 nan 8.380 nan 0.000 0.424 330 V N 1.241 121.152 119.914 -0.005 0.000 2.231 330 V HA -0.229 3.930 4.120 0.066 0.000 0.248 330 V C 2.565 178.731 176.094 0.121 0.000 1.054 330 V CA 1.549 63.875 62.300 0.044 0.000 1.015 330 V CB -0.621 31.211 31.823 0.014 0.000 0.638 330 V HN 0.146 nan 8.190 nan 0.000 0.444 331 V N -0.293 119.734 119.914 0.189 0.000 2.407 331 V HA -0.259 3.900 4.120 0.066 0.000 0.248 331 V C 2.553 178.787 176.094 0.233 0.000 1.055 331 V CA 2.261 64.728 62.300 0.278 0.000 1.049 331 V CB -0.848 31.223 31.823 0.413 0.000 0.662 331 V HN 0.462 nan 8.190 nan 0.000 0.455 332 R N 0.306 120.918 120.500 0.187 0.000 2.083 332 R HA -0.163 4.217 4.340 0.066 0.000 0.237 332 R C 1.711 178.084 176.300 0.121 0.000 1.137 332 R CA 1.891 58.077 56.100 0.144 0.000 0.951 332 R CB -0.076 30.287 30.300 0.104 0.000 0.851 332 R HN 0.511 nan 8.270 nan 0.000 0.434 333 N N 0.210 118.969 118.700 0.098 0.000 2.184 333 N HA 0.033 4.813 4.740 0.066 0.000 0.206 333 N C 0.079 175.638 175.510 0.081 0.000 1.151 333 N CA 0.053 53.144 53.050 0.068 0.000 0.878 333 N CB 0.379 38.880 38.487 0.024 0.000 1.014 333 N HN 0.316 nan 8.380 nan 0.000 0.512 334 M N 0.273 119.944 119.600 0.117 0.000 2.252 334 M HA 0.262 4.782 4.480 0.066 0.000 0.333 334 M C 0.355 176.721 176.300 0.110 0.000 1.111 334 M CA 0.004 55.377 55.300 0.122 0.000 1.140 334 M CB 0.019 32.711 32.600 0.154 0.000 1.538 334 M HN -0.165 nan 8.290 nan 0.000 0.448 335 K N 3.009 123.463 120.400 0.090 0.000 2.276 335 K HA 0.577 4.936 4.320 0.066 0.000 0.283 335 K C -0.910 175.687 176.600 -0.006 0.000 1.044 335 K CA -0.671 55.653 56.287 0.062 0.000 0.944 335 K CB 0.783 33.326 32.500 0.073 0.000 1.012 335 K HN 0.619 nan 8.250 nan 0.000 0.472 336 V N 3.821 123.696 119.914 -0.066 0.000 2.357 336 V HA 0.236 4.395 4.120 0.066 0.000 0.284 336 V C -0.525 175.438 176.094 -0.219 0.000 1.018 336 V CA -1.265 60.865 62.300 -0.283 0.000 0.841 336 V CB 1.382 32.824 31.823 -0.636 0.000 0.991 336 V HN 0.909 nan 8.190 nan 0.000 0.437 337 N N 4.428 122.993 118.700 -0.224 0.000 2.719 337 N HA 0.177 4.957 4.740 0.066 0.000 0.243 337 N C 0.960 176.369 175.510 -0.168 0.000 1.104 337 N CA -0.139 52.829 53.050 -0.138 0.000 0.981 337 N CB 1.219 39.651 38.487 -0.092 0.000 1.290 337 N HN 0.670 nan 8.380 nan 0.000 0.513 338 E N 0.594 120.719 120.200 -0.125 0.000 2.110 338 E HA -0.220 4.169 4.350 0.066 0.000 0.193 338 E C 1.059 177.630 176.600 -0.048 0.000 0.988 338 E CA 0.954 57.297 56.400 -0.093 0.000 0.804 338 E CB 0.285 29.990 29.700 0.008 0.000 0.745 338 E HN 0.399 nan 8.360 nan 0.000 0.458 339 E N 1.328 121.513 120.200 -0.024 0.000 2.072 339 E HA -0.176 4.214 4.350 0.066 0.000 0.191 339 E C 1.959 178.551 176.600 -0.013 0.000 0.985 339 E CA 1.035 57.431 56.400 -0.006 0.000 0.801 339 E CB -0.012 29.691 29.700 0.004 0.000 0.750 339 E HN -0.056 nan 8.360 nan 0.000 0.452 340 R N -0.098 120.385 120.500 -0.029 0.000 2.091 340 R HA -0.019 4.361 4.340 0.066 0.000 0.238 340 R C 2.257 178.532 176.300 -0.042 0.000 1.136 340 R CA 1.902 57.984 56.100 -0.030 0.000 0.959 340 R CB -0.407 29.870 30.300 -0.039 0.000 0.856 340 R HN 0.303 nan 8.270 nan 0.000 0.437 341 M N -0.219 119.332 119.600 -0.082 0.000 2.117 341 M HA -0.149 4.371 4.480 0.066 0.000 0.262 341 M C 2.289 178.563 176.300 -0.044 0.000 1.065 341 M CA 1.867 57.111 55.300 -0.093 0.000 1.114 341 M CB -0.295 32.210 32.600 -0.158 0.000 1.361 341 M HN 0.071 nan 8.290 nan 0.000 0.408 342 K N 0.773 121.162 120.400 -0.019 0.000 2.025 342 K HA -0.185 4.175 4.320 0.066 0.000 0.207 342 K C 2.098 178.718 176.600 0.032 0.000 1.049 342 K CA 1.362 57.659 56.287 0.017 0.000 0.933 342 K CB -0.052 32.468 32.500 0.033 0.000 0.714 342 K HN 0.129 nan 8.250 nan 0.000 0.438 343 K N 0.507 120.923 120.400 0.027 0.000 2.103 343 K HA -0.165 4.195 4.320 0.066 0.000 0.207 343 K C 1.615 178.245 176.600 0.049 0.000 1.048 343 K CA 1.622 57.934 56.287 0.043 0.000 0.930 343 K CB -0.046 32.473 32.500 0.032 0.000 0.716 343 K HN 0.153 nan 8.250 nan 0.000 0.444 344 N N 1.125 119.842 118.700 0.028 0.000 2.364 344 N HA -0.122 4.658 4.740 0.066 0.000 0.183 344 N C 1.698 177.227 175.510 0.032 0.000 1.022 344 N CA 0.890 53.972 53.050 0.053 0.000 0.883 344 N CB -0.171 38.331 38.487 0.024 0.000 0.965 344 N HN 0.304 nan 8.380 nan 0.000 0.438 345 I N 0.322 120.880 120.570 -0.019 0.000 2.335 345 I HA -0.241 3.968 4.170 0.066 0.000 0.251 345 I C 1.243 177.405 176.117 0.076 0.000 1.129 345 I CA 1.265 62.543 61.300 -0.037 0.000 1.402 345 I CB -0.149 37.849 38.000 -0.005 0.000 1.069 345 I HN -0.023 nan 8.210 nan 0.000 0.424 346 D N 0.333 120.809 120.400 0.127 0.000 2.325 346 D HA 0.017 4.697 4.640 0.066 0.000 0.225 346 D C 2.011 178.382 176.300 0.119 0.000 1.096 346 D CA 0.098 54.200 54.000 0.169 0.000 0.844 346 D CB 0.134 41.054 40.800 0.199 0.000 0.925 346 D HN 0.186 nan 8.370 nan 0.000 0.513 347 L N 0.078 121.378 121.223 0.128 0.000 2.042 347 L HA -0.145 4.234 4.340 0.066 0.000 0.210 347 L C 1.792 178.651 176.870 -0.020 0.000 1.076 347 L CA 1.832 56.709 54.840 0.062 0.000 0.749 347 L CB -0.502 41.618 42.059 0.102 0.000 0.893 347 L HN 0.292 nan 8.230 nan 0.000 0.432 348 T N -4.127 110.452 114.554 0.042 0.000 3.235 348 T HA 0.076 4.465 4.350 0.066 0.000 0.251 348 T C 0.657 175.363 174.700 0.011 0.000 1.060 348 T CA -0.386 61.723 62.100 0.016 0.000 0.949 348 T CB -0.067 68.884 68.868 0.139 0.000 1.020 348 T HN 0.288 nan 8.240 nan 0.000 0.564 349 K N 0.631 121.012 120.400 -0.032 0.000 3.150 349 K HA -0.184 4.175 4.320 0.066 0.000 0.267 349 K C 1.042 177.722 176.600 0.133 0.000 1.028 349 K CA 0.336 56.499 56.287 -0.207 0.000 0.753 349 K CB -2.037 30.116 32.500 -0.578 0.000 1.288 349 K HN 0.917 nan 8.250 nan 0.000 0.473 350 G N -0.569 108.462 108.800 0.385 0.000 2.195 350 G HA2 -0.320 3.679 3.960 0.066 0.000 0.224 350 G HA3 -0.320 3.679 3.960 0.066 0.000 0.224 350 G C 0.657 175.937 174.900 0.633 0.000 0.990 350 G CA 0.211 45.791 45.100 0.800 0.000 0.639 350 G HN 0.254 nan 8.290 nan 0.000 0.514 351 L N 0.538 121.855 121.223 0.157 0.000 2.291 351 L HA 0.065 4.444 4.340 0.066 0.000 0.214 351 L C 2.833 179.617 176.870 -0.143 0.000 1.120 351 L CA 0.843 55.556 54.840 -0.212 0.000 0.799 351 L CB -0.365 41.576 42.059 -0.197 0.000 0.925 351 L HN 0.210 nan 8.230 nan 0.000 0.446 352 V N 0.001 119.840 119.914 -0.125 0.000 2.439 352 V HA -0.306 3.853 4.120 0.066 0.000 0.253 352 V C 1.688 177.499 176.094 -0.472 0.000 1.074 352 V CA 1.992 64.088 62.300 -0.340 0.000 1.076 352 V CB -0.515 31.010 31.823 -0.497 0.000 0.664 352 V HN 0.349 nan 8.190 nan 0.000 0.461 353 F N -0.280 119.649 119.950 -0.034 0.000 2.692 353 F HA 0.083 4.650 4.527 0.066 0.000 0.303 353 F C 2.267 178.048 175.800 -0.031 0.000 1.114 353 F CA 0.555 58.492 58.000 -0.105 0.000 1.361 353 F CB -0.432 38.278 39.000 -0.485 0.000 1.063 353 F HN 0.200 nan 8.300 nan 0.000 0.550 354 S N -0.188 115.586 115.700 0.122 0.000 2.423 354 S HA -0.265 4.245 4.470 0.066 0.000 0.231 354 S C 2.023 176.693 174.600 0.117 0.000 1.014 354 S CA 1.279 59.578 58.200 0.164 0.000 0.965 354 S CB -0.279 62.826 63.200 -0.158 0.000 0.785 354 S HN 0.431 nan 8.310 nan 0.000 0.495 355 Q N 1.666 121.507 119.800 0.069 0.000 2.119 355 Q HA 0.054 4.434 4.340 0.066 0.000 0.201 355 Q C 2.261 178.295 176.000 0.057 0.000 0.972 355 Q CA 1.388 57.232 55.803 0.069 0.000 0.847 355 Q CB -0.297 28.488 28.738 0.079 0.000 0.903 355 Q HN 0.661 nan 8.270 nan 0.000 0.433 356 R N -0.636 119.884 120.500 0.034 0.000 2.073 356 R HA -0.091 4.289 4.340 0.066 0.000 0.234 356 R C 2.279 178.561 176.300 -0.030 0.000 1.134 356 R CA 1.573 57.639 56.100 -0.058 0.000 0.952 356 R CB -0.727 29.470 30.300 -0.172 0.000 0.850 356 R HN 0.165 nan 8.270 nan 0.000 0.433 357 V N 2.049 121.971 119.914 0.013 0.000 2.324 357 V HA -0.267 3.893 4.120 0.066 0.000 0.250 357 V C 2.388 178.517 176.094 0.059 0.000 1.060 357 V CA 1.792 64.117 62.300 0.042 0.000 1.042 357 V CB -0.535 31.357 31.823 0.115 0.000 0.650 357 V HN 0.294 nan 8.190 nan 0.000 0.450 358 L N -0.789 120.481 121.223 0.079 0.000 1.994 358 L HA -0.186 4.194 4.340 0.066 0.000 0.208 358 L C 2.337 179.243 176.870 0.059 0.000 1.071 358 L CA 1.762 56.647 54.840 0.074 0.000 0.745 358 L CB -0.185 41.922 42.059 0.079 0.000 0.892 358 L HN 0.229 nan 8.230 nan 0.000 0.431 359 L N -0.198 121.053 121.223 0.047 0.000 2.083 359 L HA -0.231 4.148 4.340 0.066 0.000 0.209 359 L C 2.586 179.471 176.870 0.025 0.000 1.083 359 L CA 1.148 56.010 54.840 0.038 0.000 0.752 359 L CB -0.501 41.578 42.059 0.033 0.000 0.899 359 L HN 0.233 nan 8.230 nan 0.000 0.433 360 K N 0.769 121.177 120.400 0.012 0.000 2.097 360 K HA -0.147 4.213 4.320 0.066 0.000 0.206 360 K C 1.874 178.484 176.600 0.016 0.000 1.049 360 K CA 1.563 57.854 56.287 0.006 0.000 0.933 360 K CB -0.325 32.171 32.500 -0.007 0.000 0.717 360 K HN 0.226 nan 8.250 nan 0.000 0.442 361 L N -0.022 121.217 121.223 0.026 0.000 2.156 361 L HA -0.046 4.334 4.340 0.066 0.000 0.208 361 L C 2.224 179.114 176.870 0.033 0.000 1.095 361 L CA 0.884 55.742 54.840 0.031 0.000 0.770 361 L CB -0.355 41.728 42.059 0.040 0.000 0.914 361 L HN 0.116 nan 8.230 nan 0.000 0.439 362 I N -0.371 120.222 120.570 0.037 0.000 2.315 362 I HA -0.245 3.965 4.170 0.066 0.000 0.248 362 I C 2.580 178.713 176.117 0.027 0.000 1.117 362 I CA 1.096 62.417 61.300 0.035 0.000 1.404 362 I CB -0.328 37.696 38.000 0.041 0.000 1.071 362 I HN 0.301 nan 8.210 nan 0.000 0.419 363 E N 1.508 121.722 120.200 0.024 0.000 2.049 363 E HA -0.232 4.158 4.350 0.066 0.000 0.198 363 E C 1.326 177.936 176.600 0.016 0.000 1.007 363 E CA 1.178 57.589 56.400 0.019 0.000 0.809 363 E CB 0.176 29.885 29.700 0.015 0.000 0.749 363 E HN 0.194 nan 8.360 nan 0.000 0.450 364 K N -0.595 119.815 120.400 0.016 0.000 2.630 364 K HA 0.038 4.398 4.320 0.066 0.000 0.204 364 K C 0.840 177.450 176.600 0.016 0.000 1.024 364 K CA 0.786 57.082 56.287 0.014 0.000 1.157 364 K CB 0.539 33.047 32.500 0.013 0.000 0.899 364 K HN 0.406 nan 8.250 nan 0.000 0.501 365 G N 0.023 108.834 108.800 0.018 0.000 2.612 365 G HA2 -0.213 3.786 3.960 0.066 0.000 0.200 365 G HA3 -0.213 3.786 3.960 0.066 0.000 0.200 365 G C 0.157 175.070 174.900 0.021 0.000 1.053 365 G CA -0.511 44.599 45.100 0.017 0.000 0.707 365 G HN 0.210 nan 8.290 nan 0.000 0.497 366 L N 1.687 122.925 121.223 0.025 0.000 2.482 366 L HA 0.470 4.850 4.340 0.066 0.000 0.273 366 L C 1.310 178.199 176.870 0.032 0.000 1.228 366 L CA 0.450 55.308 54.840 0.030 0.000 0.827 366 L CB 0.625 42.706 42.059 0.037 0.000 1.099 366 L HN 0.288 nan 8.230 nan 0.000 0.494 367 T N 0.184 114.758 114.554 0.033 0.000 2.874 367 T HA 0.314 4.704 4.350 0.066 0.000 0.281 367 T C 1.260 175.987 174.700 0.045 0.000 0.994 367 T CA 0.199 62.318 62.100 0.032 0.000 1.015 367 T CB 1.478 70.360 68.868 0.023 0.000 1.028 367 T HN 0.733 nan 8.240 nan 0.000 0.523 368 R N 1.703 122.227 120.500 0.040 0.000 2.113 368 R HA -0.091 4.288 4.340 0.066 0.000 0.244 368 R C 2.631 178.977 176.300 0.077 0.000 1.142 368 R CA 3.018 59.151 56.100 0.055 0.000 0.953 368 R CB -1.997 28.321 30.300 0.030 0.000 0.860 368 R HN 0.846 nan 8.270 nan 0.000 0.438 369 K N 1.109 121.532 120.400 0.038 0.000 2.057 369 K HA -0.101 4.259 4.320 0.066 0.000 0.206 369 K C 2.183 178.842 176.600 0.098 0.000 1.050 369 K CA 1.661 57.971 56.287 0.040 0.000 0.935 369 K CB -0.537 31.959 32.500 -0.007 0.000 0.715 369 K HN 0.810 nan 8.250 nan 0.000 0.439 370 E N -0.101 120.143 120.200 0.073 0.000 2.033 370 E HA -0.180 4.210 4.350 0.066 0.000 0.199 370 E C 2.516 179.174 176.600 0.096 0.000 1.011 370 E CA 1.189 57.633 56.400 0.073 0.000 0.815 370 E CB -0.338 29.392 29.700 0.051 0.000 0.755 370 E HN 0.586 nan 8.360 nan 0.000 0.451 371 A N 0.838 123.718 122.820 0.099 0.000 1.883 371 A HA -0.255 4.105 4.320 0.066 0.000 0.217 371 A C 2.074 179.734 177.584 0.127 0.000 1.186 371 A CA 1.773 53.869 52.037 0.099 0.000 0.624 371 A CB -1.077 17.978 19.000 0.092 0.000 0.822 371 A HN 0.452 nan 8.150 nan 0.000 0.444 372 Y N 1.052 121.372 120.300 0.034 0.000 2.114 372 Y HA -0.312 4.277 4.550 0.066 0.000 0.282 372 Y C 1.987 177.906 175.900 0.032 0.000 1.165 372 Y CA 2.298 60.417 58.100 0.032 0.000 1.148 372 Y CB -0.165 38.305 38.460 0.017 0.000 0.972 372 Y HN 0.380 nan 8.280 nan 0.000 0.504 373 D N 0.087 120.636 120.400 0.247 0.000 2.144 373 D HA -0.173 4.506 4.640 0.066 0.000 0.199 373 D C 2.120 178.450 176.300 0.051 0.000 0.984 373 D CA 1.696 55.781 54.000 0.143 0.000 0.834 373 D CB -0.347 40.531 40.800 0.130 0.000 0.955 373 D HN 0.411 nan 8.370 nan 0.000 0.465 374 I N 0.284 120.886 120.570 0.054 0.000 2.179 374 I HA -0.225 3.985 4.170 0.066 0.000 0.242 374 I C 2.464 178.611 176.117 0.049 0.000 1.088 374 I CA 0.696 62.024 61.300 0.047 0.000 1.357 374 I CB -0.279 37.751 38.000 0.050 0.000 1.051 374 I HN -0.116 nan 8.210 nan 0.000 0.409 375 V N -0.046 119.887 119.914 0.031 0.000 2.358 375 V HA -0.273 3.887 4.120 0.066 0.000 0.246 375 V C 2.484 178.572 176.094 -0.011 0.000 1.047 375 V CA 1.678 64.028 62.300 0.084 0.000 1.035 375 V CB -0.734 31.114 31.823 0.042 0.000 0.658 375 V HN 0.480 nan 8.190 nan 0.000 0.452 376 Q N 0.565 120.249 119.800 -0.193 0.000 2.061 376 Q HA -0.281 4.099 4.340 0.066 0.000 0.204 376 Q C 2.532 178.480 176.000 -0.086 0.000 0.984 376 Q CA 2.934 58.609 55.803 -0.214 0.000 0.846 376 Q CB -0.249 28.335 28.738 -0.256 0.000 0.902 376 Q HN 0.683 nan 8.270 nan 0.000 0.421 377 R N 0.849 121.329 120.500 -0.033 0.000 2.081 377 R HA -0.156 4.224 4.340 0.066 0.000 0.235 377 R C 1.861 178.143 176.300 -0.031 0.000 1.131 377 R CA 1.968 58.054 56.100 -0.022 0.000 0.960 377 R CB -1.698 28.602 30.300 0.000 0.000 0.856 377 R HN 0.602 nan 8.270 nan 0.000 0.436 378 N N 0.107 118.835 118.700 0.046 0.000 2.244 378 N HA 0.013 4.793 4.740 0.066 0.000 0.183 378 N C 2.144 177.727 175.510 0.122 0.000 1.016 378 N CA 1.289 54.399 53.050 0.101 0.000 0.866 378 N CB -0.105 38.554 38.487 0.287 0.000 0.980 378 N HN 0.589 nan 8.380 nan 0.000 0.430 379 A N 1.073 123.938 122.820 0.076 0.000 1.858 379 A HA -0.124 4.236 4.320 0.066 0.000 0.216 379 A C 2.006 179.569 177.584 -0.035 0.000 1.190 379 A CA 0.984 52.964 52.037 -0.096 0.000 0.617 379 A CB -0.848 18.017 19.000 -0.225 0.000 0.827 379 A HN 0.196 nan 8.150 nan 0.000 0.443 380 L N 0.101 121.287 121.223 -0.061 0.000 1.990 380 L HA -0.213 4.167 4.340 0.066 0.000 0.213 380 L C 2.274 179.129 176.870 -0.025 0.000 1.072 380 L CA 2.429 57.251 54.840 -0.030 0.000 0.755 380 L CB -1.090 40.935 42.059 -0.056 0.000 0.889 380 L HN 0.443 nan 8.230 nan 0.000 0.432 381 K N -1.585 118.706 120.400 -0.181 0.000 2.057 381 K HA -0.131 4.229 4.320 0.066 0.000 0.207 381 K C 1.843 178.268 176.600 -0.292 0.000 1.049 381 K CA 1.847 57.908 56.287 -0.378 0.000 0.931 381 K CB -0.379 31.570 32.500 -0.919 0.000 0.714 381 K HN 0.371 nan 8.250 nan 0.000 0.440 382 T N 0.663 115.103 114.554 -0.189 0.000 2.652 382 T HA -0.216 4.174 4.350 0.066 0.000 0.267 382 T C 1.261 176.037 174.700 0.127 0.000 1.039 382 T CA 1.172 63.359 62.100 0.145 0.000 1.153 382 T CB -0.358 68.653 68.868 0.239 0.000 0.863 382 T HN 0.428 nan 8.240 nan 0.000 0.428 383 W N 2.393 123.653 121.300 -0.067 0.000 2.335 383 W HA -0.119 4.581 4.660 0.066 0.000 0.311 383 W C 1.089 177.584 176.519 -0.041 0.000 1.213 383 W CA 1.095 58.400 57.345 -0.067 0.000 1.274 383 W CB -0.266 29.141 29.460 -0.088 0.000 1.148 383 W HN 0.223 nan 8.180 nan 0.000 0.498 384 N N 0.491 119.263 118.700 0.121 0.000 2.370 384 N HA -0.032 4.748 4.740 0.066 0.000 0.198 384 N C 0.143 175.663 175.510 0.017 0.000 1.156 384 N CA 0.948 54.028 53.050 0.049 0.000 0.839 384 N CB 0.441 38.980 38.487 0.086 0.000 0.989 384 N HN 0.072 nan 8.380 nan 0.000 0.468 385 S N -1.264 114.451 115.700 0.024 0.000 2.998 385 S HA 0.443 4.953 4.470 0.066 0.000 0.321 385 S C 0.348 174.972 174.600 0.040 0.000 1.171 385 S CA -0.553 57.685 58.200 0.063 0.000 0.882 385 S CB 1.798 65.103 63.200 0.175 0.000 1.301 385 S HN -0.161 nan 8.310 nan 0.000 0.629 386 E N 0.287 120.533 120.200 0.076 0.000 2.489 386 E HA 0.329 4.719 4.350 0.066 0.000 0.204 386 E C 0.477 177.158 176.600 0.136 0.000 1.006 386 E CA 0.392 56.831 56.400 0.064 0.000 0.936 386 E CB 0.338 30.066 29.700 0.048 0.000 1.002 386 E HN 0.763 nan 8.360 nan 0.000 0.488 387 K N 0.329 120.835 120.400 0.178 0.000 2.144 387 K HA 0.314 4.673 4.320 0.066 0.000 0.270 387 K C -0.630 176.147 176.600 0.293 0.000 1.005 387 K CA -0.414 55.977 56.287 0.172 0.000 0.932 387 K CB -0.041 32.379 32.500 -0.134 0.000 1.021 387 K HN 0.159 nan 8.250 nan 0.000 0.462 388 H N 0.363 119.479 119.070 0.076 0.000 2.771 388 H HA 0.198 4.794 4.556 0.066 0.000 0.364 388 H C 1.080 176.599 175.328 0.319 0.000 1.133 388 H CA -0.138 56.009 56.048 0.166 0.000 1.423 388 H CB 0.424 30.215 29.762 0.049 0.000 1.425 388 H HN 0.704 nan 8.280 nan 0.000 0.606 389 F N 1.538 121.656 119.950 0.281 0.000 2.087 389 F HA -0.300 4.267 4.527 0.066 0.000 0.299 389 F C 2.129 178.073 175.800 0.240 0.000 1.100 389 F CA 1.075 59.270 58.000 0.326 0.000 1.226 389 F CB -0.036 39.186 39.000 0.371 0.000 0.983 389 F HN 0.478 nan 8.300 nan 0.000 0.479 390 L N 0.724 121.935 121.223 -0.020 0.000 1.970 390 L HA -0.278 4.101 4.340 0.066 0.000 0.212 390 L C 2.914 179.669 176.870 -0.191 0.000 1.071 390 L CA 2.283 56.901 54.840 -0.369 0.000 0.751 390 L CB -1.297 40.344 42.059 -0.697 0.000 0.889 390 L HN 0.403 nan 8.230 nan 0.000 0.432 391 E N -0.525 119.595 120.200 -0.134 0.000 2.086 391 E HA -0.343 4.046 4.350 0.066 0.000 0.200 391 E C 1.710 178.204 176.600 -0.176 0.000 1.012 391 E CA 2.173 58.470 56.400 -0.173 0.000 0.812 391 E CB -1.480 28.095 29.700 -0.209 0.000 0.743 391 E HN 0.724 nan 8.360 nan 0.000 0.453 392 Y N 0.145 120.452 120.300 0.012 0.000 2.224 392 Y HA -0.019 4.570 4.550 0.066 0.000 0.289 392 Y C 2.524 178.402 175.900 -0.037 0.000 1.146 392 Y CA 1.357 59.469 58.100 0.020 0.000 1.182 392 Y CB -0.096 38.423 38.460 0.099 0.000 0.983 392 Y HN 0.146 nan 8.280 nan 0.000 0.524 393 L N -0.819 120.415 121.223 0.019 0.000 2.056 393 L HA -0.222 4.158 4.340 0.066 0.000 0.207 393 L C 2.209 179.055 176.870 -0.040 0.000 1.078 393 L CA 0.988 55.786 54.840 -0.069 0.000 0.749 393 L CB -0.612 41.309 42.059 -0.231 0.000 0.901 393 L HN 0.268 nan 8.230 nan 0.000 0.433 394 L N -0.241 120.943 121.223 -0.064 0.000 2.042 394 L HA -0.229 4.151 4.340 0.066 0.000 0.210 394 L C 2.286 179.137 176.870 -0.032 0.000 1.076 394 L CA 1.444 56.249 54.840 -0.058 0.000 0.749 394 L CB -0.428 41.578 42.059 -0.087 0.000 0.893 394 L HN 0.327 nan 8.230 nan 0.000 0.432 395 E N -1.032 119.157 120.200 -0.019 0.000 2.482 395 E HA -0.086 4.304 4.350 0.066 0.000 0.196 395 E C 0.400 177.019 176.600 0.032 0.000 1.047 395 E CA -0.112 56.291 56.400 0.004 0.000 0.869 395 E CB -0.010 29.694 29.700 0.007 0.000 0.836 395 E HN 0.321 nan 8.360 nan 0.000 0.520 396 D N 0.721 121.145 120.400 0.040 0.000 2.339 396 D HA 0.006 4.685 4.640 0.066 0.000 0.256 396 D C 1.105 177.420 176.300 0.024 0.000 1.214 396 D CA 0.339 54.365 54.000 0.044 0.000 0.877 396 D CB 1.029 41.859 40.800 0.050 0.000 1.111 396 D HN 0.236 nan 8.370 nan 0.000 0.478 397 E N 3.287 123.501 120.200 0.025 0.000 2.051 397 E HA -0.250 4.140 4.350 0.066 0.000 0.192 397 E C 1.904 178.513 176.600 0.016 0.000 0.991 397 E CA 2.048 58.458 56.400 0.017 0.000 0.799 397 E CB -1.111 28.599 29.700 0.018 0.000 0.748 397 E HN 0.758 nan 8.360 nan 0.000 0.449 398 E N 0.196 120.408 120.200 0.020 0.000 2.118 398 E HA -0.064 4.326 4.350 0.066 0.000 0.195 398 E C 2.397 179.007 176.600 0.017 0.000 0.992 398 E CA 1.511 57.923 56.400 0.020 0.000 0.804 398 E CB -1.011 28.704 29.700 0.025 0.000 0.741 398 E HN 0.476 nan 8.360 nan 0.000 0.458 399 V N 0.791 120.714 119.914 0.015 0.000 2.453 399 V HA -0.080 4.079 4.120 0.066 0.000 0.247 399 V C 3.050 179.145 176.094 0.003 0.000 1.048 399 V CA 2.284 64.588 62.300 0.008 0.000 1.049 399 V CB -0.663 31.160 31.823 0.001 0.000 0.672 399 V HN 0.723 nan 8.190 nan 0.000 0.457 400 K N 0.498 120.899 120.400 0.003 0.000 2.211 400 K HA -0.088 4.272 4.320 0.066 0.000 0.203 400 K C 2.049 178.649 176.600 0.000 0.000 1.050 400 K CA 1.761 58.047 56.287 -0.002 0.000 0.945 400 K CB -0.929 31.570 32.500 -0.001 0.000 0.732 400 K HN 0.627 nan 8.250 nan 0.000 0.451 401 K N 0.081 120.483 120.400 0.004 0.000 2.387 401 K HA 0.577 4.937 4.320 0.066 0.000 0.198 401 K C 1.679 178.282 176.600 0.006 0.000 1.022 401 K CA 0.597 56.886 56.287 0.005 0.000 1.128 401 K CB -0.192 32.312 32.500 0.007 0.000 0.853 401 K HN 0.392 nan 8.250 nan 0.000 0.523 402 L N -1.043 120.183 121.223 0.006 0.000 2.730 402 L HA 0.286 4.666 4.340 0.066 0.000 0.236 402 L C -0.461 176.412 176.870 0.005 0.000 1.061 402 L CA 0.057 54.901 54.840 0.007 0.000 0.898 402 L CB 1.658 43.724 42.059 0.011 0.000 1.270 402 L HN 0.056 nan 8.230 nan 0.000 0.500 403 V N -0.765 119.150 119.914 0.002 0.000 2.709 403 V HA 0.347 4.507 4.120 0.066 0.000 0.308 403 V C 0.092 176.183 176.094 -0.004 0.000 1.062 403 V CA -0.699 61.601 62.300 -0.000 0.000 0.901 403 V CB 1.676 33.499 31.823 -0.000 0.000 1.003 403 V HN -0.050 nan 8.190 nan 0.000 0.425 404 T N 2.507 117.058 114.554 -0.005 0.000 2.802 404 T HA 0.084 4.474 4.350 0.066 0.000 0.305 404 T C 1.261 175.953 174.700 -0.013 0.000 1.053 404 T CA 0.174 62.268 62.100 -0.009 0.000 1.058 404 T CB 0.793 69.657 68.868 -0.008 0.000 0.988 404 T HN 0.908 nan 8.240 nan 0.000 0.539 405 K N 1.316 121.704 120.400 -0.020 0.000 2.057 405 K HA -0.098 4.261 4.320 0.066 0.000 0.206 405 K C 2.386 178.970 176.600 -0.025 0.000 1.050 405 K CA 1.782 58.051 56.287 -0.029 0.000 0.935 405 K CB -0.271 32.206 32.500 -0.038 0.000 0.715 405 K HN 0.650 nan 8.250 nan 0.000 0.439 406 E N 1.450 121.638 120.200 -0.020 0.000 2.150 406 E HA -0.175 4.214 4.350 0.066 0.000 0.193 406 E C 1.691 178.288 176.600 -0.006 0.000 0.985 406 E CA 1.454 57.845 56.400 -0.015 0.000 0.814 406 E CB -0.600 29.091 29.700 -0.014 0.000 0.752 406 E HN 0.673 nan 8.360 nan 0.000 0.466 407 E N -0.495 119.703 120.200 -0.003 0.000 2.204 407 E HA -0.014 4.376 4.350 0.066 0.000 0.195 407 E C 2.154 178.761 176.600 0.012 0.000 0.990 407 E CA 0.742 57.142 56.400 0.000 0.000 0.821 407 E CB -0.037 29.662 29.700 -0.002 0.000 0.750 407 E HN 0.482 nan 8.360 nan 0.000 0.477 408 L N 0.498 121.734 121.223 0.021 0.000 2.084 408 L HA -0.118 4.261 4.340 0.066 0.000 0.202 408 L C 2.087 179.050 176.870 0.155 0.000 1.074 408 L CA 1.008 55.888 54.840 0.067 0.000 0.757 408 L CB -0.044 42.028 42.059 0.021 0.000 0.918 408 L HN 0.065 nan 8.230 nan 0.000 0.444 409 E N -0.182 120.053 120.200 0.059 0.000 2.204 409 E HA -0.289 4.101 4.350 0.066 0.000 0.195 409 E C 1.701 178.366 176.600 0.108 0.000 0.990 409 E CA 1.335 57.762 56.400 0.046 0.000 0.821 409 E CB 0.060 29.735 29.700 -0.041 0.000 0.750 409 E HN 0.533 nan 8.360 nan 0.000 0.477 410 E N 0.979 121.215 120.200 0.060 0.000 2.400 410 E HA -0.051 4.339 4.350 0.066 0.000 0.195 410 E C 1.692 178.274 176.600 -0.029 0.000 1.012 410 E CA 0.075 56.484 56.400 0.016 0.000 0.875 410 E CB -0.055 29.647 29.700 0.003 0.000 0.859 410 E HN 0.204 nan 8.360 nan 0.000 0.498 411 L N 0.096 121.292 121.223 -0.046 0.000 2.450 411 L HA -0.031 4.349 4.340 0.066 0.000 0.224 411 L C 0.905 177.474 176.870 -0.501 0.000 1.149 411 L CA 0.621 55.331 54.840 -0.217 0.000 0.816 411 L CB -0.288 41.639 42.059 -0.221 0.000 0.932 411 L HN 0.194 nan 8.230 nan 0.000 0.449 412 F N -1.241 118.446 119.950 -0.439 0.000 2.641 412 F HA 0.146 4.713 4.527 0.067 0.000 0.302 412 F C 0.906 176.294 175.800 -0.688 0.000 1.098 412 F CA -0.684 56.705 58.000 -1.018 0.000 1.318 412 F CB -0.043 38.574 39.000 -0.638 0.000 1.035 412 F HN -0.091 nan 8.300 nan 0.000 0.551 413 D N 1.458 121.767 120.400 -0.152 0.000 2.343 413 D HA 0.010 4.690 4.640 0.066 0.000 0.255 413 D C 1.487 177.940 176.300 0.256 0.000 1.187 413 D CA 0.254 54.280 54.000 0.042 0.000 0.875 413 D CB 0.748 41.583 40.800 0.058 0.000 1.136 413 D HN 0.105 nan 8.370 nan 0.000 0.469 414 I N 3.088 123.859 120.570 0.336 0.000 2.614 414 I HA -0.232 3.978 4.170 0.066 0.000 0.258 414 I C 1.786 178.139 176.117 0.393 0.000 1.189 414 I CA 0.933 62.527 61.300 0.490 0.000 1.462 414 I CB -0.167 38.044 38.000 0.351 0.000 1.092 414 I HN 0.375 nan 8.210 nan 0.000 0.442 415 S N -0.264 115.576 115.700 0.234 0.000 2.453 415 S HA -0.261 4.249 4.470 0.066 0.000 0.231 415 S C 2.102 176.759 174.600 0.095 0.000 1.005 415 S CA 0.588 58.870 58.200 0.136 0.000 0.949 415 S CB -0.976 62.263 63.200 0.066 0.000 0.774 415 S HN 0.595 nan 8.310 nan 0.000 0.510 416 Y N 1.594 121.877 120.300 -0.028 0.000 2.139 416 Y HA -0.261 4.329 4.550 0.067 0.000 0.282 416 Y C 1.746 177.481 175.900 -0.274 0.000 1.179 416 Y CA 1.879 59.858 58.100 -0.201 0.000 1.161 416 Y CB -0.557 37.705 38.460 -0.329 0.000 0.970 416 Y HN 0.332 nan 8.280 nan 0.000 0.511 417 Y N -0.921 119.470 120.300 0.151 0.000 2.475 417 Y HA 0.027 4.616 4.550 0.066 0.000 0.289 417 Y C 1.725 177.639 175.900 0.022 0.000 1.121 417 Y CA 0.652 58.804 58.100 0.085 0.000 1.257 417 Y CB 0.139 38.703 38.460 0.174 0.000 1.026 417 Y HN 0.075 nan 8.280 nan 0.000 0.555 418 L N 0.259 121.569 121.223 0.146 0.000 2.640 418 L HA 0.062 4.442 4.340 0.066 0.000 0.230 418 L C 1.839 178.706 176.870 -0.004 0.000 1.123 418 L CA 0.102 55.007 54.840 0.107 0.000 0.900 418 L CB -0.190 41.954 42.059 0.141 0.000 1.146 418 L HN 0.169 nan 8.230 nan 0.000 0.484 419 K N -0.768 119.540 120.400 -0.153 0.000 2.442 419 K HA -0.162 4.197 4.320 0.066 0.000 0.200 419 K C 0.948 177.334 176.600 -0.357 0.000 1.045 419 K CA 1.323 57.429 56.287 -0.300 0.000 0.937 419 K CB -0.184 32.014 32.500 -0.503 0.000 0.757 419 K HN 0.402 nan 8.250 nan 0.000 0.474 420 H N -0.461 118.628 119.070 0.031 0.000 3.078 420 H HA 0.178 4.774 4.556 0.067 0.000 0.263 420 H C 1.527 176.946 175.328 0.152 0.000 1.177 420 H CA -0.231 55.855 56.048 0.062 0.000 1.128 420 H CB 0.713 30.464 29.762 -0.017 0.000 1.623 420 H HN -0.040 nan 8.280 nan 0.000 0.592 421 V N 0.956 121.016 119.914 0.242 0.000 2.324 421 V HA -0.264 3.895 4.120 0.066 0.000 0.250 421 V C 1.742 178.061 176.094 0.376 0.000 1.060 421 V CA 2.232 64.708 62.300 0.294 0.000 1.042 421 V CB -0.107 31.873 31.823 0.262 0.000 0.650 421 V HN 0.306 nan 8.190 nan 0.000 0.450 422 D N -1.676 118.906 120.400 0.304 0.000 2.224 422 D HA -0.118 4.562 4.640 0.066 0.000 0.205 422 D C 2.008 178.482 176.300 0.290 0.000 0.965 422 D CA 1.225 55.387 54.000 0.269 0.000 0.852 422 D CB -0.235 40.689 40.800 0.206 0.000 0.947 422 D HN 0.677 nan 8.370 nan 0.000 0.494 423 H N -0.112 119.088 119.070 0.217 0.000 2.333 423 H HA 0.060 4.655 4.556 0.066 0.000 0.302 423 H C 2.005 177.439 175.328 0.176 0.000 1.075 423 H CA 1.249 57.402 56.048 0.174 0.000 1.348 423 H CB -0.018 29.848 29.762 0.174 0.000 1.393 423 H HN 0.039 nan 8.280 nan 0.000 0.509 424 I N -0.520 120.258 120.570 0.346 0.000 2.252 424 I HA -0.237 3.973 4.170 0.066 0.000 0.245 424 I C 1.585 177.873 176.117 0.285 0.000 1.102 424 I CA 0.928 62.385 61.300 0.262 0.000 1.385 424 I CB -0.272 37.852 38.000 0.207 0.000 1.064 424 I HN 0.223 nan 8.210 nan 0.000 0.414 425 F N 1.014 121.094 119.950 0.216 0.000 2.216 425 F HA -0.199 4.369 4.527 0.069 0.000 0.300 425 F C 2.588 178.579 175.800 0.318 0.000 1.085 425 F CA 1.428 59.586 58.000 0.264 0.000 1.326 425 F CB -0.478 38.553 39.000 0.051 0.000 1.027 425 F HN 0.115 nan 8.300 nan 0.000 0.497 426 E N 0.650 121.048 120.200 0.330 0.000 2.118 426 E HA -0.239 4.151 4.350 0.066 0.000 0.195 426 E C 2.234 178.877 176.600 0.071 0.000 0.992 426 E CA 1.111 57.612 56.400 0.169 0.000 0.804 426 E CB -0.047 29.673 29.700 0.033 0.000 0.741 426 E HN 0.386 nan 8.360 nan 0.000 0.458 427 R N -0.865 119.620 120.500 -0.026 0.000 2.211 427 R HA -0.145 4.234 4.340 0.066 0.000 0.240 427 R C 1.825 177.908 176.300 -0.361 0.000 1.144 427 R CA 1.336 57.290 56.100 -0.242 0.000 0.992 427 R CB -0.225 29.837 30.300 -0.396 0.000 0.869 427 R HN 0.206 nan 8.270 nan 0.000 0.462 428 F N 0.696 120.696 119.950 0.084 0.000 2.776 428 F HA 0.104 4.668 4.527 0.062 0.000 0.300 428 F C 0.778 176.547 175.800 -0.052 0.000 1.116 428 F CA -0.018 58.016 58.000 0.057 0.000 1.375 428 F CB 0.292 39.403 39.000 0.184 0.000 1.109 428 F HN -0.186 nan 8.300 nan 0.000 0.585 429 E N 1.520 121.811 120.200 0.151 0.000 2.343 429 E HA 0.327 4.717 4.350 0.066 0.000 0.269 429 E C 0.010 176.613 176.600 0.006 0.000 1.047 429 E CA -0.208 56.250 56.400 0.096 0.000 0.874 429 E CB 1.439 31.235 29.700 0.160 0.000 1.033 429 E HN 0.008 nan 8.360 nan 0.000 0.409 430 K N 0.000 120.389 120.400 -0.018 0.000 2.780 430 K HA 0.000 4.360 4.320 0.066 0.000 0.191 430 K CA 0.000 56.278 56.287 -0.014 0.000 0.838 430 K CB 0.000 32.501 32.500 0.001 0.000 1.064 430 K HN 0.000 nan 8.250 nan 0.000 0.543