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 3ll8_1_C DATA FIRST_RESID 14 DATA SEQUENCE TDRVVKAVPF PPSHRLTAKE VFDNDGKPRV DILKAHLMKE GRLEESVALR DATA SEQUENCE IITEGASILR QEKNLLDIDA PVTVCGDIHG QFFDLMKLFE VGGSPANTRY DATA SEQUENCE LFLGDYVDRG YFSIECVLYL WALKILYPKT LFLLRGNHEC RHLTEYFTFK DATA SEQUENCE QECKIKYSER VYDACMDAFD CLPLAALMNQ QFLCVHGGLS PEINTLDDIR DATA SEQUENCE KLDRFKEPPA YGPMCDILWS DPLEDFGNEK TQEHFTHNTV RGCSYFYSYP DATA SEQUENCE AVCEFLQHNN LLSILRAHEA QDAGYRMYRK SQTTGFPSLI TIFSAPNYLD DATA SEQUENCE VYNNKAAVLK YENNVMNIRQ FNCSPHPYWL PNFMDVFTWS LPFVGEKVTE DATA SEQUENCE MLVNVLN 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 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.695 174.700 -0.009 0.000 1.109 14 T CA 0.000 62.088 62.100 -0.020 0.000 1.349 14 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 15 D N -0.396 120.004 120.400 0.000 0.000 2.336 15 D HA 0.138 5.105 4.640 0.546 0.000 0.228 15 D C 0.585 176.892 176.300 0.011 0.000 1.120 15 D CA -0.516 53.487 54.000 0.006 0.000 0.839 15 D CB -0.444 40.363 40.800 0.011 0.000 0.932 15 D HN 0.649 nan 8.370 nan 0.000 0.509 16 R N 0.349 120.856 120.500 0.012 0.000 2.486 16 R HA 0.050 4.717 4.340 0.546 0.000 0.303 16 R C 0.813 177.122 176.300 0.016 0.000 0.958 16 R CA -0.093 56.022 56.100 0.025 0.000 1.077 16 R CB 0.699 31.019 30.300 0.033 0.000 0.921 16 R HN -0.081 nan 8.270 nan 0.000 0.406 17 V N 4.738 124.660 119.914 0.013 0.000 2.302 17 V HA -0.105 4.343 4.120 0.546 0.000 0.243 17 V C 0.530 176.623 176.094 -0.001 0.000 1.036 17 V CA 1.197 63.498 62.300 0.003 0.000 1.020 17 V CB 0.189 32.010 31.823 -0.003 0.000 0.657 17 V HN 0.572 nan 8.190 nan 0.000 0.453 18 V N 1.318 121.231 119.914 -0.002 0.000 2.221 18 V HA 0.207 4.655 4.120 0.546 0.000 0.258 18 V C 1.062 177.159 176.094 0.005 0.000 1.179 18 V CA -0.155 62.140 62.300 -0.008 0.000 1.022 18 V CB 0.137 31.945 31.823 -0.025 0.000 1.228 18 V HN 0.416 nan 8.190 nan 0.000 0.487 19 K N 2.551 122.955 120.400 0.006 0.000 2.365 19 K HA 0.043 4.691 4.320 0.546 0.000 0.199 19 K C 2.069 178.678 176.600 0.015 0.000 1.045 19 K CA 1.047 57.342 56.287 0.014 0.000 0.962 19 K CB 0.096 32.599 32.500 0.005 0.000 0.759 19 K HN 0.695 nan 8.250 nan 0.000 0.469 20 A N 1.174 123.997 122.820 0.005 0.000 2.119 20 A HA -0.003 4.645 4.320 0.546 0.000 0.217 20 A C 0.903 178.490 177.584 0.006 0.000 1.153 20 A CA 0.350 52.389 52.037 0.003 0.000 0.692 20 A CB -0.014 18.982 19.000 -0.006 0.000 0.799 20 A HN 0.013 nan 8.150 nan 0.000 0.458 21 V N 2.551 122.469 119.914 0.007 0.000 2.479 21 V HA 0.141 4.589 4.120 0.546 0.000 0.281 21 V C -2.086 174.030 176.094 0.037 0.000 1.031 21 V CA -1.234 61.066 62.300 0.001 0.000 1.038 21 V CB 0.357 32.168 31.823 -0.019 0.000 0.981 21 V HN 0.298 nan 8.190 nan 0.000 0.478 22 P HA 0.121 nan 4.420 nan 0.000 0.266 22 P C -0.827 176.527 177.300 0.091 0.000 1.195 22 P CA -0.067 63.072 63.100 0.065 0.000 0.768 22 P CB 0.286 32.009 31.700 0.039 0.000 0.838 23 F N 3.944 123.882 119.950 -0.019 0.000 2.436 23 F HA 0.484 5.340 4.527 0.548 0.000 0.340 23 F C -2.156 173.635 175.800 -0.014 0.000 1.113 23 F CA -2.695 55.291 58.000 -0.023 0.000 1.022 23 F CB 0.800 39.790 39.000 -0.016 0.000 1.128 23 F HN 0.244 nan 8.300 nan 0.000 0.466 24 P HA 0.217 nan 4.420 nan 0.000 0.271 24 P C -2.603 174.788 177.300 0.151 0.000 1.216 24 P CA -0.838 62.242 63.100 -0.033 0.000 0.776 24 P CB -0.013 31.590 31.700 -0.161 0.000 0.881 25 P HA 0.111 nan 4.420 nan 0.000 0.271 25 P C 0.062 177.465 177.300 0.172 0.000 1.216 25 P CA 0.056 63.267 63.100 0.185 0.000 0.776 25 P CB 0.783 32.600 31.700 0.195 0.000 0.881 26 S N -0.372 115.454 115.700 0.210 0.000 2.486 26 S HA -0.027 4.771 4.470 0.546 0.000 0.220 26 S C 0.728 175.437 174.600 0.182 0.000 1.011 26 S CA 0.275 58.579 58.200 0.173 0.000 0.921 26 S CB -0.776 62.526 63.200 0.171 0.000 0.785 26 S HN 0.674 nan 8.310 nan 0.000 0.517 27 H N 2.834 121.992 119.070 0.146 0.000 2.964 27 H HA 0.192 5.076 4.556 0.546 0.000 0.328 27 H C 0.114 175.545 175.328 0.172 0.000 1.030 27 H CA 0.343 56.469 56.048 0.129 0.000 1.445 27 H CB 0.298 30.122 29.762 0.104 0.000 1.449 27 H HN 0.053 nan 8.280 nan 0.000 0.581 28 R N 5.544 125.776 120.500 -0.447 0.000 2.255 28 R HA 0.250 4.917 4.340 0.546 0.000 0.326 28 R C -0.248 175.708 176.300 -0.574 0.000 0.986 28 R CA -0.800 55.116 56.100 -0.308 0.000 0.847 28 R CB 1.083 31.307 30.300 -0.127 0.000 1.111 28 R HN 0.583 nan 8.270 nan 0.000 0.452 29 L N 3.070 124.055 121.223 -0.398 0.000 2.490 29 L HA 0.039 4.707 4.340 0.546 0.000 0.274 29 L C 1.213 178.018 176.870 -0.109 0.000 1.201 29 L CA 0.244 54.919 54.840 -0.275 0.000 0.869 29 L CB 0.136 42.041 42.059 -0.257 0.000 1.123 29 L HN 0.714 nan 8.230 nan 0.000 0.484 30 T N -0.432 114.109 114.554 -0.022 0.000 2.847 30 T HA 0.433 5.111 4.350 0.546 0.000 0.279 30 T C 1.158 175.904 174.700 0.077 0.000 0.984 30 T CA -0.255 61.865 62.100 0.034 0.000 0.988 30 T CB 1.633 70.542 68.868 0.069 0.000 1.040 30 T HN 0.604 nan 8.240 nan 0.000 0.528 31 A N 0.683 123.565 122.820 0.104 0.000 1.908 31 A HA -0.075 4.572 4.320 0.546 0.000 0.218 31 A C 2.348 180.048 177.584 0.194 0.000 1.181 31 A CA 1.532 53.680 52.037 0.185 0.000 0.627 31 A CB -0.909 18.154 19.000 0.106 0.000 0.818 31 A HN 0.902 nan 8.150 nan 0.000 0.445 32 K N -0.530 119.937 120.400 0.112 0.000 2.147 32 K HA -0.152 4.496 4.320 0.546 0.000 0.205 32 K C 1.890 178.535 176.600 0.075 0.000 1.049 32 K CA 1.573 57.915 56.287 0.091 0.000 0.936 32 K CB -0.123 32.413 32.500 0.061 0.000 0.722 32 K HN 0.652 nan 8.250 nan 0.000 0.446 33 E N -0.093 120.145 120.200 0.063 0.000 2.158 33 E HA -0.101 4.576 4.350 0.546 0.000 0.191 33 E C 1.865 178.458 176.600 -0.012 0.000 0.982 33 E CA 0.769 57.186 56.400 0.030 0.000 0.823 33 E CB 0.300 30.021 29.700 0.036 0.000 0.766 33 E HN 0.026 nan 8.360 nan 0.000 0.468 34 V N 0.332 120.232 119.914 -0.023 0.000 2.500 34 V HA -0.034 4.414 4.120 0.546 0.000 0.243 34 V C 0.413 176.292 176.094 -0.358 0.000 1.039 34 V CA 0.918 63.101 62.300 -0.195 0.000 1.053 34 V CB -0.037 31.643 31.823 -0.238 0.000 0.695 34 V HN 0.046 nan 8.190 nan 0.000 0.463 35 F N 1.373 121.313 119.950 -0.016 0.000 2.436 35 F HA 0.472 5.326 4.527 0.545 0.000 0.340 35 F C 0.271 176.058 175.800 -0.021 0.000 1.113 35 F CA -1.703 56.283 58.000 -0.025 0.000 1.022 35 F CB 0.870 39.855 39.000 -0.025 0.000 1.128 35 F HN 0.150 nan 8.300 nan 0.000 0.466 36 D N 0.744 121.224 120.400 0.134 0.000 2.411 36 D HA 0.046 5.014 4.640 0.546 0.000 0.251 36 D C 0.635 176.983 176.300 0.080 0.000 1.201 36 D CA -0.686 53.358 54.000 0.075 0.000 0.996 36 D CB 0.281 41.098 40.800 0.028 0.000 1.101 36 D HN 0.673 nan 8.370 nan 0.000 0.504 37 N N -0.947 117.780 118.700 0.045 0.000 2.571 37 N HA -0.176 4.891 4.740 0.546 0.000 0.189 37 N C 0.312 175.835 175.510 0.020 0.000 1.154 37 N CA 0.023 53.091 53.050 0.030 0.000 0.907 37 N CB -0.034 38.464 38.487 0.018 0.000 0.977 37 N HN 0.317 nan 8.380 nan 0.000 0.449 38 D N -0.039 120.376 120.400 0.025 0.000 2.339 38 D HA 0.092 5.060 4.640 0.546 0.000 0.217 38 D C 1.340 177.655 176.300 0.025 0.000 1.050 38 D CA 0.641 54.650 54.000 0.015 0.000 0.856 38 D CB -0.163 40.641 40.800 0.007 0.000 0.922 38 D HN 0.445 nan 8.370 nan 0.000 0.518 39 G N 0.790 109.626 108.800 0.060 0.000 2.179 39 G HA2 -0.295 3.992 3.960 0.546 0.000 0.260 39 G HA3 -0.295 3.992 3.960 0.546 0.000 0.260 39 G C 0.276 175.299 174.900 0.206 0.000 0.977 39 G CA 0.159 45.316 45.100 0.094 0.000 0.641 39 G HN 0.383 nan 8.290 nan 0.000 0.533 40 K N 1.616 122.088 120.400 0.119 0.000 2.258 40 K HA 0.436 5.083 4.320 0.546 0.000 0.284 40 K C -2.456 174.131 176.600 -0.022 0.000 1.051 40 K CA -1.792 54.513 56.287 0.031 0.000 0.923 40 K CB 1.334 33.805 32.500 -0.049 0.000 1.046 40 K HN 0.069 nan 8.250 nan 0.000 0.474 41 P HA 0.051 nan 4.420 nan 0.000 0.271 41 P C -0.890 176.249 177.300 -0.268 0.000 1.216 41 P CA -0.191 62.644 63.100 -0.441 0.000 0.776 41 P CB 0.518 31.925 31.700 -0.488 0.000 0.881 42 R N 2.235 122.592 120.500 -0.238 0.000 2.612 42 R HA 0.087 4.755 4.340 0.546 0.000 0.273 42 R C 1.222 177.467 176.300 -0.092 0.000 1.376 42 R CA -0.256 55.767 56.100 -0.129 0.000 1.171 42 R CB -0.313 29.935 30.300 -0.087 0.000 1.151 42 R HN 0.377 nan 8.270 nan 0.000 0.560 43 V N -0.779 119.086 119.914 -0.081 0.000 2.809 43 V HA -0.195 4.252 4.120 0.546 0.000 0.256 43 V C 1.778 177.945 176.094 0.121 0.000 1.080 43 V CA 1.655 63.956 62.300 0.001 0.000 1.102 43 V CB -0.369 31.389 31.823 -0.107 0.000 0.705 43 V HN 0.570 nan 8.190 nan 0.000 0.475 44 D N 1.228 121.662 120.400 0.056 0.000 2.097 44 D HA -0.196 4.772 4.640 0.546 0.000 0.197 44 D C 1.984 178.322 176.300 0.064 0.000 0.984 44 D CA 1.614 55.651 54.000 0.062 0.000 0.826 44 D CB -0.336 40.485 40.800 0.035 0.000 0.973 44 D HN 0.487 nan 8.370 nan 0.000 0.460 45 I N 0.385 120.979 120.570 0.041 0.000 2.252 45 I HA -0.179 4.318 4.170 0.546 0.000 0.245 45 I C 2.494 178.660 176.117 0.081 0.000 1.102 45 I CA 0.466 61.793 61.300 0.045 0.000 1.385 45 I CB -0.384 37.620 38.000 0.007 0.000 1.064 45 I HN -0.012 nan 8.210 nan 0.000 0.414 46 L N 0.842 122.113 121.223 0.080 0.000 2.017 46 L HA -0.238 4.429 4.340 0.546 0.000 0.208 46 L C 2.493 179.464 176.870 0.168 0.000 1.073 46 L CA 1.935 56.850 54.840 0.126 0.000 0.745 46 L CB -0.817 41.322 42.059 0.133 0.000 0.894 46 L HN 0.216 nan 8.230 nan 0.000 0.432 47 K N -0.798 119.697 120.400 0.158 0.000 2.032 47 K HA -0.200 4.448 4.320 0.546 0.000 0.209 47 K C 1.975 178.610 176.600 0.059 0.000 1.048 47 K CA 1.629 57.926 56.287 0.017 0.000 0.927 47 K CB -0.310 32.161 32.500 -0.048 0.000 0.712 47 K HN 0.392 nan 8.250 nan 0.000 0.441 48 A N 0.314 123.186 122.820 0.086 0.000 1.902 48 A HA -0.215 4.432 4.320 0.546 0.000 0.217 48 A C 2.016 179.684 177.584 0.141 0.000 1.181 48 A CA 1.968 54.065 52.037 0.100 0.000 0.623 48 A CB -0.919 18.139 19.000 0.096 0.000 0.818 48 A HN 0.627 nan 8.150 nan 0.000 0.443 49 H N -0.166 118.940 119.070 0.060 0.000 2.357 49 H HA 0.077 4.960 4.556 0.546 0.000 0.301 49 H C 1.747 177.105 175.328 0.049 0.000 1.082 49 H CA 1.776 57.863 56.048 0.065 0.000 1.342 49 H CB -0.195 29.605 29.762 0.065 0.000 1.389 49 H HN 0.347 nan 8.280 nan 0.000 0.511 50 L N -0.469 120.785 121.223 0.052 0.000 2.141 50 L HA -0.144 4.523 4.340 0.546 0.000 0.209 50 L C 2.345 179.147 176.870 -0.114 0.000 1.094 50 L CA 1.056 55.818 54.840 -0.130 0.000 0.763 50 L CB -0.355 41.523 42.059 -0.301 0.000 0.908 50 L HN 0.391 nan 8.230 nan 0.000 0.437 51 M N -0.448 119.187 119.600 0.059 0.000 2.374 51 M HA -0.158 4.650 4.480 0.546 0.000 0.264 51 M C 1.504 177.958 176.300 0.257 0.000 1.067 51 M CA 1.495 56.898 55.300 0.171 0.000 1.103 51 M CB -0.130 32.574 32.600 0.175 0.000 1.402 51 M HN 0.128 nan 8.290 nan 0.000 0.444 52 K N 0.297 120.757 120.400 0.099 0.000 2.417 52 K HA 0.090 4.737 4.320 0.546 0.000 0.196 52 K C -0.264 176.343 176.600 0.012 0.000 1.023 52 K CA 0.076 56.398 56.287 0.058 0.000 1.122 52 K CB 0.230 32.740 32.500 0.017 0.000 0.850 52 K HN 0.235 nan 8.250 nan 0.000 0.521 53 E N -0.241 119.980 120.200 0.035 0.000 2.553 53 E HA -0.147 4.530 4.350 0.546 0.000 0.264 53 E C 0.139 176.690 176.600 -0.082 0.000 1.068 53 E CA 0.184 56.617 56.400 0.055 0.000 0.774 53 E CB -1.611 28.163 29.700 0.123 0.000 1.349 53 E HN 0.551 nan 8.360 nan 0.000 0.404 54 G N 0.196 108.805 108.800 -0.318 0.000 2.528 54 G HA2 0.543 4.830 3.960 0.546 0.000 0.289 54 G HA3 0.543 4.830 3.960 0.546 0.000 0.289 54 G C -0.011 174.789 174.900 -0.167 0.000 1.192 54 G CA -0.554 44.214 45.100 -0.554 0.000 0.921 54 G HN 0.017 nan 8.290 nan 0.000 0.512 55 R N -0.870 119.696 120.500 0.109 0.000 2.873 55 R HA 0.512 5.180 4.340 0.546 0.000 0.264 55 R C -0.255 176.231 176.300 0.311 0.000 1.026 55 R CA -0.818 55.391 56.100 0.182 0.000 1.002 55 R CB 1.719 31.962 30.300 -0.094 0.000 1.174 55 R HN 0.332 nan 8.270 nan 0.000 0.488 56 L N 0.828 122.251 121.223 0.333 0.000 2.439 56 L HA 0.338 5.005 4.340 0.546 0.000 0.259 56 L C 0.535 177.520 176.870 0.193 0.000 1.129 56 L CA -0.639 54.325 54.840 0.207 0.000 0.803 56 L CB 0.541 42.706 42.059 0.178 0.000 1.161 56 L HN 0.432 nan 8.230 nan 0.000 0.462 57 E N 0.466 120.715 120.200 0.082 0.000 2.415 57 E HA -0.094 4.584 4.350 0.546 0.000 0.262 57 E C 0.599 177.287 176.600 0.146 0.000 1.038 57 E CA 0.131 56.578 56.400 0.078 0.000 0.921 57 E CB 0.920 30.639 29.700 0.032 0.000 0.950 57 E HN 0.572 nan 8.360 nan 0.000 0.438 58 E N 1.604 121.893 120.200 0.149 0.000 2.110 58 E HA -0.209 4.469 4.350 0.546 0.000 0.193 58 E C 1.767 178.405 176.600 0.064 0.000 0.988 58 E CA 1.490 57.989 56.400 0.165 0.000 0.804 58 E CB 0.100 29.888 29.700 0.148 0.000 0.745 58 E HN 0.536 nan 8.360 nan 0.000 0.458 59 S N -0.380 115.348 115.700 0.047 0.000 2.419 59 S HA -0.124 4.673 4.470 0.546 0.000 0.233 59 S C 1.981 176.599 174.600 0.031 0.000 1.016 59 S CA 1.204 59.417 58.200 0.023 0.000 0.974 59 S CB -0.253 62.956 63.200 0.016 0.000 0.786 59 S HN 0.164 nan 8.310 nan 0.000 0.492 60 V N 2.226 122.178 119.914 0.063 0.000 2.407 60 V HA 0.043 4.491 4.120 0.546 0.000 0.245 60 V C 3.125 179.278 176.094 0.100 0.000 1.041 60 V CA 1.192 63.563 62.300 0.120 0.000 1.040 60 V CB -1.513 30.390 31.823 0.133 0.000 0.671 60 V HN 0.624 nan 8.190 nan 0.000 0.455 61 A N 0.323 123.151 122.820 0.012 0.000 1.892 61 A HA -0.224 4.423 4.320 0.546 0.000 0.218 61 A C 2.139 179.664 177.584 -0.098 0.000 1.188 61 A CA 2.002 53.966 52.037 -0.122 0.000 0.631 61 A CB -0.673 18.110 19.000 -0.360 0.000 0.822 61 A HN 0.388 nan 8.150 nan 0.000 0.447 62 L N -0.494 120.687 121.223 -0.070 0.000 2.083 62 L HA -0.100 4.568 4.340 0.546 0.000 0.209 62 L C 2.513 179.367 176.870 -0.027 0.000 1.083 62 L CA 2.105 56.906 54.840 -0.065 0.000 0.752 62 L CB -1.144 40.886 42.059 -0.048 0.000 0.899 62 L HN 0.546 nan 8.230 nan 0.000 0.433 63 R N -0.383 120.121 120.500 0.005 0.000 2.075 63 R HA -0.128 4.539 4.340 0.546 0.000 0.232 63 R C 2.360 178.717 176.300 0.095 0.000 1.126 63 R CA 1.334 57.430 56.100 -0.006 0.000 0.963 63 R CB -0.173 30.077 30.300 -0.083 0.000 0.858 63 R HN 0.286 nan 8.270 nan 0.000 0.435 64 I N 0.444 121.134 120.570 0.200 0.000 2.226 64 I HA -0.289 4.208 4.170 0.546 0.000 0.245 64 I C 2.136 178.367 176.117 0.189 0.000 1.100 64 I CA 1.273 62.724 61.300 0.252 0.000 1.374 64 I CB -0.142 37.957 38.000 0.165 0.000 1.057 64 I HN 0.219 nan 8.210 nan 0.000 0.413 65 I N 0.432 121.031 120.570 0.048 0.000 2.202 65 I HA -0.279 4.218 4.170 0.546 0.000 0.242 65 I C 2.743 178.927 176.117 0.111 0.000 1.091 65 I CA 1.992 63.275 61.300 -0.029 0.000 1.368 65 I CB -0.599 37.259 38.000 -0.237 0.000 1.058 65 I HN 0.367 nan 8.210 nan 0.000 0.410 66 T N -1.910 112.674 114.554 0.051 0.000 2.857 66 T HA -0.103 4.575 4.350 0.546 0.000 0.266 66 T C 1.651 176.394 174.700 0.073 0.000 1.048 66 T CA 1.002 63.130 62.100 0.048 0.000 1.139 66 T CB -0.421 68.446 68.868 -0.003 0.000 0.874 66 T HN 0.377 nan 8.240 nan 0.000 0.455 67 E N 1.206 121.450 120.200 0.074 0.000 2.106 67 E HA 0.010 4.688 4.350 0.546 0.000 0.192 67 E C 2.555 179.207 176.600 0.086 0.000 0.984 67 E CA 0.840 57.275 56.400 0.057 0.000 0.806 67 E CB -0.507 29.218 29.700 0.042 0.000 0.750 67 E HN 0.693 nan 8.360 nan 0.000 0.458 68 G N 1.422 110.328 108.800 0.176 0.000 2.402 68 G HA2 -0.222 4.066 3.960 0.546 0.000 0.216 68 G HA3 -0.222 4.066 3.960 0.546 0.000 0.216 68 G C 1.722 176.662 174.900 0.066 0.000 1.162 68 G CA 0.826 45.974 45.100 0.081 0.000 0.777 68 G HN 0.330 nan 8.290 nan 0.000 0.539 69 A N 0.798 123.758 122.820 0.233 0.000 1.902 69 A HA 0.013 4.660 4.320 0.546 0.000 0.217 69 A C 2.677 180.332 177.584 0.117 0.000 1.181 69 A CA 2.199 54.364 52.037 0.213 0.000 0.623 69 A CB -0.669 18.455 19.000 0.207 0.000 0.818 69 A HN 0.293 nan 8.150 nan 0.000 0.443 70 S N -0.261 115.484 115.700 0.075 0.000 2.383 70 S HA -0.140 4.657 4.470 0.546 0.000 0.229 70 S C 1.758 176.379 174.600 0.034 0.000 1.030 70 S CA 1.557 59.782 58.200 0.040 0.000 1.002 70 S CB -0.492 62.719 63.200 0.018 0.000 0.829 70 S HN 0.559 nan 8.310 nan 0.000 0.467 71 I N 1.024 121.606 120.570 0.019 0.000 2.233 71 I HA -0.145 4.353 4.170 0.546 0.000 0.243 71 I C 2.020 178.151 176.117 0.024 0.000 1.093 71 I CA 1.004 62.305 61.300 0.001 0.000 1.380 71 I CB -0.352 37.621 38.000 -0.045 0.000 1.067 71 I HN 0.225 nan 8.210 nan 0.000 0.413 72 L N 0.317 121.553 121.223 0.021 0.000 2.046 72 L HA -0.208 4.460 4.340 0.546 0.000 0.208 72 L C 2.763 179.728 176.870 0.159 0.000 1.077 72 L CA 1.285 56.162 54.840 0.060 0.000 0.747 72 L CB -0.625 41.466 42.059 0.052 0.000 0.896 72 L HN 0.237 nan 8.230 nan 0.000 0.432 73 R N 0.337 120.947 120.500 0.183 0.000 2.127 73 R HA -0.198 4.470 4.340 0.546 0.000 0.238 73 R C 2.184 178.604 176.300 0.199 0.000 1.134 73 R CA 1.454 57.705 56.100 0.252 0.000 0.975 73 R CB -0.050 30.310 30.300 0.099 0.000 0.865 73 R HN 0.482 nan 8.270 nan 0.000 0.447 74 Q N -0.053 119.818 119.800 0.119 0.000 2.369 74 Q HA -0.032 4.635 4.340 0.546 0.000 0.206 74 Q C -0.127 175.944 176.000 0.119 0.000 0.963 74 Q CA 0.550 56.410 55.803 0.095 0.000 0.894 74 Q CB 0.222 28.995 28.738 0.059 0.000 0.965 74 Q HN 0.457 nan 8.270 nan 0.000 0.475 75 E N 1.365 121.648 120.200 0.138 0.000 2.374 75 E HA 0.141 4.818 4.350 0.546 0.000 0.260 75 E C -0.409 176.265 176.600 0.122 0.000 1.101 75 E CA -0.183 56.291 56.400 0.124 0.000 0.907 75 E CB 0.774 30.549 29.700 0.125 0.000 1.014 75 E HN 0.031 nan 8.360 nan 0.000 0.427 76 K N 1.361 121.812 120.400 0.083 0.000 2.180 76 K HA 0.065 4.713 4.320 0.546 0.000 0.251 76 K C 0.901 177.517 176.600 0.026 0.000 1.014 76 K CA -0.466 55.858 56.287 0.061 0.000 0.913 76 K CB 0.400 32.922 32.500 0.037 0.000 1.008 76 K HN 0.329 nan 8.250 nan 0.000 0.490 77 N N 0.485 119.187 118.700 0.002 0.000 2.166 77 N HA -0.132 4.936 4.740 0.546 0.000 0.186 77 N C 0.108 175.606 175.510 -0.019 0.000 1.019 77 N CA 0.918 53.946 53.050 -0.037 0.000 0.856 77 N CB -0.188 38.275 38.487 -0.039 0.000 0.993 77 N HN 0.264 nan 8.380 nan 0.000 0.426 78 L N 1.500 122.719 121.223 -0.007 0.000 2.294 78 L HA 0.397 5.065 4.340 0.546 0.000 0.283 78 L C -0.838 176.019 176.870 -0.022 0.000 1.015 78 L CA -0.395 54.440 54.840 -0.009 0.000 0.831 78 L CB 0.756 42.815 42.059 0.000 0.000 1.217 78 L HN -0.078 nan 8.230 nan 0.000 0.420 79 L N 3.835 125.031 121.223 -0.046 0.000 2.418 79 L HA 0.391 5.058 4.340 0.546 0.000 0.265 79 L C -0.337 176.457 176.870 -0.128 0.000 1.143 79 L CA -0.399 54.380 54.840 -0.101 0.000 0.809 79 L CB 0.670 42.624 42.059 -0.176 0.000 1.124 79 L HN 0.548 nan 8.230 nan 0.000 0.456 80 D N 3.961 124.269 120.400 -0.152 0.000 2.441 80 D HA 0.461 5.429 4.640 0.546 0.000 0.231 80 D C -0.453 175.727 176.300 -0.201 0.000 1.073 80 D CA -0.012 53.910 54.000 -0.130 0.000 0.850 80 D CB 2.091 42.846 40.800 -0.074 0.000 1.062 80 D HN 0.251 nan 8.370 nan 0.000 0.524 81 I N 1.982 122.430 120.570 -0.203 0.000 2.436 81 I HA 0.166 4.663 4.170 0.546 0.000 0.289 81 I C -0.122 175.946 176.117 -0.080 0.000 1.010 81 I CA -0.797 60.352 61.300 -0.251 0.000 1.098 81 I CB 2.059 39.857 38.000 -0.336 0.000 1.266 81 I HN 0.019 nan 8.210 nan 0.000 0.434 82 D N 4.660 125.043 120.400 -0.029 0.000 2.229 82 D HA 0.483 5.450 4.640 0.546 0.000 0.249 82 D C 0.085 176.423 176.300 0.063 0.000 1.027 82 D CA -0.210 53.807 54.000 0.027 0.000 0.923 82 D CB 2.069 42.882 40.800 0.022 0.000 1.174 82 D HN 0.549 nan 8.370 nan 0.000 0.443 83 A N 2.021 124.902 122.820 0.102 0.000 2.406 83 A HA 0.398 5.046 4.320 0.546 0.000 0.243 83 A C -2.005 175.594 177.584 0.026 0.000 1.082 83 A CA -0.735 51.362 52.037 0.100 0.000 0.786 83 A CB -0.440 18.638 19.000 0.130 0.000 1.029 83 A HN 0.390 nan 8.150 nan 0.000 0.495 84 P HA 0.437 nan 4.420 nan 0.000 0.274 84 P C -0.848 176.451 177.300 -0.002 0.000 1.231 84 P CA -0.075 63.008 63.100 -0.028 0.000 0.790 84 P CB 1.293 32.955 31.700 -0.064 0.000 0.951 85 V N 1.354 121.265 119.914 -0.005 0.000 3.077 85 V HA 0.362 4.810 4.120 0.546 0.000 0.299 85 V C -1.080 174.942 176.094 -0.120 0.000 1.276 85 V CA -0.369 61.907 62.300 -0.041 0.000 0.993 85 V CB 2.565 34.408 31.823 0.033 0.000 1.076 85 V HN 0.606 nan 8.190 nan 0.000 0.434 86 T N 5.150 119.534 114.554 -0.282 0.000 2.743 86 T HA 0.588 5.266 4.350 0.546 0.000 0.292 86 T C -0.515 174.025 174.700 -0.267 0.000 0.972 86 T CA -0.227 61.661 62.100 -0.354 0.000 0.967 86 T CB 1.144 69.613 68.868 -0.664 0.000 0.926 86 T HN 0.593 nan 8.240 nan 0.000 0.459 87 V N 3.479 123.281 119.914 -0.185 0.000 2.394 87 V HA 0.456 4.903 4.120 0.546 0.000 0.282 87 V C 0.013 175.997 176.094 -0.184 0.000 1.031 87 V CA -0.763 61.441 62.300 -0.161 0.000 0.881 87 V CB 1.061 32.807 31.823 -0.128 0.000 0.982 87 V HN 1.016 nan 8.190 nan 0.000 0.451 88 C N 3.635 122.776 119.300 -0.264 0.000 2.563 88 C HA 0.886 5.674 4.460 0.546 0.000 0.314 88 C C 1.042 175.958 174.990 -0.123 0.000 1.199 88 C CA -0.491 58.362 59.018 -0.276 0.000 1.564 88 C CB 1.117 28.433 27.740 -0.707 0.000 2.173 88 C HN 1.054 nan 8.230 nan 0.000 0.485 89 G N 0.868 109.627 108.800 -0.068 0.000 2.782 89 G HA2 0.488 4.776 3.960 0.546 0.000 0.201 89 G HA3 0.488 4.776 3.960 0.546 0.000 0.201 89 G C -0.918 173.910 174.900 -0.121 0.000 1.374 89 G CA -0.275 44.797 45.100 -0.047 0.000 1.039 89 G HN 0.724 nan 8.290 nan 0.000 0.576 90 D N -0.227 120.018 120.400 -0.258 0.000 2.472 90 D HA 0.162 5.130 4.640 0.546 0.000 0.237 90 D C 1.018 177.067 176.300 -0.418 0.000 1.141 90 D CA -0.032 53.725 54.000 -0.405 0.000 0.875 90 D CB 1.318 41.849 40.800 -0.449 0.000 1.192 90 D HN 0.024 nan 8.370 nan 0.000 0.450 91 I N 0.722 121.110 120.570 -0.304 0.000 3.565 91 I HA -0.038 4.460 4.170 0.546 0.000 0.287 91 I C 0.489 176.606 176.117 -0.001 0.000 1.193 91 I CA 0.275 61.526 61.300 -0.083 0.000 1.402 91 I CB -0.706 37.339 38.000 0.076 0.000 1.284 91 I HN 0.477 nan 8.210 nan 0.000 0.454 92 H N 1.981 121.022 119.070 -0.047 0.000 2.604 92 H HA -0.174 4.711 4.556 0.549 0.000 0.321 92 H C 1.535 176.898 175.328 0.058 0.000 1.132 92 H CA 0.900 56.930 56.048 -0.030 0.000 1.129 92 H CB -1.601 28.186 29.762 0.042 0.000 1.526 92 H HN 0.638 nan 8.280 nan 0.000 0.415 93 G N 0.644 109.552 108.800 0.180 0.000 2.166 93 G HA2 -0.354 3.933 3.960 0.546 0.000 0.260 93 G HA3 -0.354 3.933 3.960 0.546 0.000 0.260 93 G C 0.412 175.538 174.900 0.376 0.000 0.986 93 G CA 0.553 45.804 45.100 0.251 0.000 0.683 93 G HN 0.599 nan 8.290 nan 0.000 0.527 94 Q N -0.515 119.484 119.800 0.332 0.000 3.006 94 Q HA 0.450 5.118 4.340 0.546 0.000 0.260 94 Q C 1.160 177.364 176.000 0.341 0.000 1.356 94 Q CA -0.806 55.216 55.803 0.364 0.000 1.070 94 Q CB -0.026 28.881 28.738 0.283 0.000 1.507 94 Q HN 0.441 nan 8.270 nan 0.000 0.568 95 F N 0.492 120.567 119.950 0.209 0.000 2.171 95 F HA -0.197 4.655 4.527 0.543 0.000 0.300 95 F C 0.932 176.603 175.800 -0.215 0.000 1.090 95 F CA 1.458 59.422 58.000 -0.060 0.000 1.293 95 F CB 0.139 38.983 39.000 -0.261 0.000 1.013 95 F HN 0.363 nan 8.300 nan 0.000 0.486 96 F N 0.569 120.524 119.950 0.009 0.000 2.293 96 F HA -0.151 4.702 4.527 0.543 0.000 0.300 96 F C 2.242 178.031 175.800 -0.019 0.000 1.086 96 F CA 1.270 59.233 58.000 -0.061 0.000 1.375 96 F CB -0.620 38.399 39.000 0.031 0.000 1.045 96 F HN -0.016 nan 8.300 nan 0.000 0.516 97 D N -0.032 120.496 120.400 0.213 0.000 2.194 97 D HA -0.092 4.876 4.640 0.546 0.000 0.204 97 D C 2.290 178.651 176.300 0.101 0.000 0.964 97 D CA 0.605 54.741 54.000 0.228 0.000 0.846 97 D CB -0.478 40.513 40.800 0.319 0.000 0.962 97 D HN 0.201 nan 8.370 nan 0.000 0.490 98 L N 0.983 122.197 121.223 -0.014 0.000 2.079 98 L HA -0.164 4.504 4.340 0.546 0.000 0.210 98 L C 2.072 178.838 176.870 -0.173 0.000 1.081 98 L CA 1.399 56.174 54.840 -0.108 0.000 0.752 98 L CB -0.409 41.597 42.059 -0.088 0.000 0.896 98 L HN -0.102 nan 8.230 nan 0.000 0.433 99 M N -0.783 118.634 119.600 -0.304 0.000 2.159 99 M HA -0.200 4.607 4.480 0.546 0.000 0.263 99 M C 2.302 178.544 176.300 -0.096 0.000 1.063 99 M CA 1.611 56.778 55.300 -0.222 0.000 1.110 99 M CB -1.176 31.209 32.600 -0.359 0.000 1.374 99 M HN 0.213 nan 8.290 nan 0.000 0.411 100 K N 0.919 121.247 120.400 -0.119 0.000 2.097 100 K HA -0.044 4.603 4.320 0.546 0.000 0.205 100 K C 1.930 178.249 176.600 -0.468 0.000 1.050 100 K CA 0.812 56.987 56.287 -0.185 0.000 0.938 100 K CB -0.635 31.822 32.500 -0.072 0.000 0.718 100 K HN 0.286 nan 8.250 nan 0.000 0.442 101 L N -0.230 120.627 121.223 -0.609 0.000 2.013 101 L HA -0.196 4.472 4.340 0.546 0.000 0.212 101 L C 1.799 178.407 176.870 -0.436 0.000 1.073 101 L CA 1.655 56.019 54.840 -0.794 0.000 0.753 101 L CB -0.331 41.431 42.059 -0.495 0.000 0.890 101 L HN 0.147 nan 8.230 nan 0.000 0.432 102 F N 0.512 120.378 119.950 -0.140 0.000 2.171 102 F HA -0.197 4.659 4.527 0.548 0.000 0.300 102 F C 2.502 178.281 175.800 -0.035 0.000 1.090 102 F CA 1.553 59.527 58.000 -0.044 0.000 1.293 102 F CB -0.594 38.375 39.000 -0.051 0.000 1.013 102 F HN 0.182 nan 8.300 nan 0.000 0.486 103 E N -0.080 120.161 120.200 0.067 0.000 2.058 103 E HA -0.191 4.487 4.350 0.546 0.000 0.194 103 E C 2.397 178.983 176.600 -0.023 0.000 0.997 103 E CA 1.685 58.093 56.400 0.013 0.000 0.801 103 E CB -0.416 29.268 29.700 -0.028 0.000 0.746 103 E HN 0.183 nan 8.360 nan 0.000 0.450 104 V N 0.384 120.221 119.914 -0.128 0.000 2.358 104 V HA -0.158 4.290 4.120 0.546 0.000 0.246 104 V C 2.249 178.313 176.094 -0.050 0.000 1.047 104 V CA 1.972 64.199 62.300 -0.122 0.000 1.035 104 V CB -0.613 31.049 31.823 -0.268 0.000 0.658 104 V HN 0.405 nan 8.190 nan 0.000 0.452 105 G N -1.104 107.691 108.800 -0.008 0.000 2.494 105 G HA2 0.403 4.691 3.960 0.546 0.000 0.216 105 G HA3 0.403 4.691 3.960 0.546 0.000 0.216 105 G C 0.737 175.680 174.900 0.072 0.000 1.140 105 G CA 0.807 45.928 45.100 0.035 0.000 0.801 105 G HN 1.101 nan 8.290 nan 0.000 0.536 106 G N -1.079 107.823 108.800 0.170 0.000 2.576 106 G HA2 0.230 4.517 3.960 0.546 0.000 0.686 106 G HA3 0.230 4.517 3.960 0.546 0.000 0.686 106 G C -0.239 174.836 174.900 0.291 0.000 1.242 106 G CA -0.043 45.150 45.100 0.156 0.000 0.819 106 G HN 0.883 nan 8.290 nan 0.000 0.655 107 S N 1.401 117.191 115.700 0.150 0.000 2.549 107 S HA 0.482 5.279 4.470 0.546 0.000 0.283 107 S C -0.333 174.308 174.600 0.068 0.000 1.320 107 S CA -0.245 58.009 58.200 0.090 0.000 1.058 107 S CB 0.909 64.117 63.200 0.014 0.000 0.882 107 S HN 0.418 nan 8.310 nan 0.000 0.498 108 P HA 0.024 nan 4.420 nan 0.000 0.225 108 P C 1.006 177.873 177.300 -0.721 0.000 1.148 108 P CA 0.932 63.881 63.100 -0.252 0.000 0.779 108 P CB -0.046 31.383 31.700 -0.452 0.000 0.780 109 A N 0.778 123.312 122.820 -0.477 0.000 2.067 109 A HA -0.143 4.504 4.320 0.546 0.000 0.219 109 A C 1.596 179.050 177.584 -0.218 0.000 1.158 109 A CA 1.478 53.296 52.037 -0.364 0.000 0.661 109 A CB -1.052 17.940 19.000 -0.013 0.000 0.801 109 A HN 0.444 nan 8.150 nan 0.000 0.452 110 N N -2.195 116.415 118.700 -0.149 0.000 2.232 110 N HA 0.064 5.132 4.740 0.546 0.000 0.240 110 N C -0.983 174.488 175.510 -0.064 0.000 1.307 110 N CA -0.006 52.996 53.050 -0.079 0.000 0.859 110 N CB 0.878 39.343 38.487 -0.038 0.000 1.260 110 N HN 0.076 nan 8.380 nan 0.000 0.501 111 T N 0.646 115.159 114.554 -0.068 0.000 2.921 111 T HA 0.296 4.974 4.350 0.546 0.000 0.297 111 T C -0.732 173.939 174.700 -0.047 0.000 1.013 111 T CA -0.610 61.447 62.100 -0.072 0.000 0.990 111 T CB 2.735 71.569 68.868 -0.057 0.000 1.023 111 T HN 0.114 nan 8.240 nan 0.000 0.447 112 R N 2.030 122.486 120.500 -0.073 0.000 2.390 112 R HA 0.456 5.124 4.340 0.546 0.000 0.291 112 R C -1.371 174.892 176.300 -0.063 0.000 1.070 112 R CA -0.253 55.864 56.100 0.028 0.000 1.014 112 R CB 0.466 30.820 30.300 0.090 0.000 1.007 112 R HN 0.644 nan 8.270 nan 0.000 0.466 113 Y N 3.237 123.618 120.300 0.135 0.000 2.462 113 Y HA 0.407 5.283 4.550 0.545 0.000 0.346 113 Y C -0.706 175.330 175.900 0.225 0.000 0.976 113 Y CA -0.940 57.234 58.100 0.123 0.000 1.044 113 Y CB 2.060 40.659 38.460 0.231 0.000 1.230 113 Y HN 0.453 nan 8.280 nan 0.000 0.455 114 L N 3.954 125.317 121.223 0.232 0.000 2.404 114 L HA 0.624 5.292 4.340 0.546 0.000 0.272 114 L C -2.106 174.837 176.870 0.121 0.000 0.980 114 L CA -0.536 54.464 54.840 0.267 0.000 0.836 114 L CB 0.454 42.602 42.059 0.149 0.000 1.238 114 L HN 0.403 nan 8.230 nan 0.000 0.408 115 F N 4.893 124.980 119.950 0.229 0.000 2.421 115 F HA 0.435 5.287 4.527 0.542 0.000 0.337 115 F C 0.908 176.798 175.800 0.150 0.000 1.105 115 F CA -0.475 57.648 58.000 0.205 0.000 1.049 115 F CB 1.708 40.909 39.000 0.335 0.000 1.139 115 F HN 0.384 nan 8.300 nan 0.000 0.479 116 L N 2.912 124.259 121.223 0.207 0.000 2.611 116 L HA 0.377 5.044 4.340 0.546 0.000 0.229 116 L C 0.923 177.802 176.870 0.014 0.000 1.137 116 L CA 0.210 55.119 54.840 0.116 0.000 0.901 116 L CB -0.971 41.139 42.059 0.086 0.000 1.098 116 L HN 0.924 nan 8.230 nan 0.000 0.456 117 G N -0.354 108.262 108.800 -0.307 0.000 2.483 117 G HA2 -0.163 4.125 3.960 0.546 0.000 0.521 117 G HA3 -0.163 4.125 3.960 0.546 0.000 0.521 117 G C -0.627 173.600 174.900 -1.121 0.000 1.278 117 G CA -0.620 43.916 45.100 -0.940 0.000 0.965 117 G HN 0.153 nan 8.290 nan 0.000 0.504 118 D N -1.412 118.313 120.400 -1.124 0.000 2.697 118 D HA -0.163 4.805 4.640 0.546 0.000 0.238 118 D C 0.895 176.621 176.300 -0.958 0.000 1.152 118 D CA 1.633 55.061 54.000 -0.954 0.000 0.666 118 D CB -1.167 39.148 40.800 -0.809 0.000 1.037 118 D HN 0.652 nan 8.370 nan 0.000 0.423 119 Y N -1.364 118.680 120.300 -0.426 0.000 2.373 119 Y HA 0.038 4.922 4.550 0.556 0.000 0.293 119 Y C 1.830 177.566 175.900 -0.273 0.000 1.129 119 Y CA 0.791 58.718 58.100 -0.290 0.000 1.226 119 Y CB -0.026 38.325 38.460 -0.181 0.000 1.000 119 Y HN 0.253 nan 8.280 nan 0.000 0.549 120 V N -3.849 115.929 119.914 -0.227 0.000 3.204 120 V HA 0.596 5.043 4.120 0.546 0.000 0.316 120 V C -0.802 175.283 176.094 -0.014 0.000 1.160 120 V CA -1.469 60.714 62.300 -0.196 0.000 1.044 120 V CB 1.827 33.292 31.823 -0.597 0.000 1.136 120 V HN 0.155 nan 8.190 nan 0.000 0.455 121 D N 0.340 120.782 120.400 0.070 0.000 10.770 121 D HA -0.108 4.860 4.640 0.546 0.000 0.340 121 D C 0.826 177.098 176.300 -0.047 0.000 3.132 121 D CA 0.896 54.945 54.000 0.081 0.000 2.696 121 D CB -0.171 40.672 40.800 0.072 0.000 1.209 121 D HN 1.049 nan 8.370 nan 0.000 0.941 122 R N -1.390 119.027 120.500 -0.139 0.000 1.364 122 R HA -0.198 4.470 4.340 0.546 0.000 0.054 122 R C 1.143 177.268 176.300 -0.290 0.000 0.950 122 R CA 2.003 57.957 56.100 -0.243 0.000 1.972 122 R CB -1.870 28.231 30.300 -0.332 0.000 0.282 122 R HN 0.666 nan 8.270 nan 0.000 0.723 123 G N -0.255 108.479 108.800 -0.111 0.000 2.594 123 G HA2 0.284 4.571 3.960 0.546 0.000 0.243 123 G HA3 0.284 4.571 3.960 0.546 0.000 0.243 123 G C 0.010 174.798 174.900 -0.186 0.000 1.229 123 G CA -0.132 44.938 45.100 -0.049 0.000 0.843 123 G HN 0.341 nan 8.290 nan 0.000 0.578 124 Y N -0.295 119.865 120.300 -0.232 0.000 2.493 124 Y HA 0.260 5.144 4.550 0.558 0.000 0.275 124 Y C 0.540 176.033 175.900 -0.678 0.000 1.183 124 Y CA -0.118 57.704 58.100 -0.462 0.000 1.258 124 Y CB 0.283 38.265 38.460 -0.795 0.000 1.108 124 Y HN 0.413 nan 8.280 nan 0.000 0.521 125 F N -2.248 117.890 119.950 0.312 0.000 2.881 125 F HA 0.254 5.110 4.527 0.547 0.000 0.343 125 F C 1.446 177.356 175.800 0.183 0.000 1.233 125 F CA -0.321 57.831 58.000 0.253 0.000 1.262 125 F CB 0.098 39.283 39.000 0.308 0.000 0.980 125 F HN -0.173 nan 8.300 nan 0.000 0.506 126 S N 0.544 116.402 115.700 0.263 0.000 2.368 126 S HA -0.193 4.605 4.470 0.546 0.000 0.225 126 S C 2.153 176.893 174.600 0.233 0.000 1.030 126 S CA 1.294 59.623 58.200 0.215 0.000 0.999 126 S CB -0.173 63.155 63.200 0.214 0.000 0.844 126 S HN 0.468 nan 8.310 nan 0.000 0.459 127 I N 2.029 122.779 120.570 0.301 0.000 2.315 127 I HA -0.118 4.380 4.170 0.546 0.000 0.248 127 I C 1.861 178.019 176.117 0.067 0.000 1.117 127 I CA 1.388 62.826 61.300 0.231 0.000 1.404 127 I CB -0.355 37.721 38.000 0.126 0.000 1.071 127 I HN 0.074 nan 8.210 nan 0.000 0.419 128 E N -0.289 119.920 120.200 0.015 0.000 2.110 128 E HA -0.205 4.473 4.350 0.546 0.000 0.193 128 E C 2.369 178.957 176.600 -0.019 0.000 0.988 128 E CA 1.685 57.932 56.400 -0.255 0.000 0.804 128 E CB -0.663 28.523 29.700 -0.858 0.000 0.745 128 E HN 0.530 nan 8.360 nan 0.000 0.458 129 C N -0.344 119.094 119.300 0.230 0.000 2.453 129 C HA -0.070 4.717 4.460 0.546 0.000 0.277 129 C C 2.647 177.783 174.990 0.242 0.000 1.262 129 C CA 0.424 59.681 59.018 0.398 0.000 1.718 129 C CB -0.720 27.207 27.740 0.313 0.000 2.031 129 C HN 0.240 nan 8.230 nan 0.000 0.480 130 V N 0.926 120.900 119.914 0.101 0.000 2.295 130 V HA -0.221 4.227 4.120 0.546 0.000 0.246 130 V C 2.363 178.469 176.094 0.021 0.000 1.049 130 V CA 1.856 64.124 62.300 -0.052 0.000 1.024 130 V CB -0.660 31.004 31.823 -0.265 0.000 0.648 130 V HN 0.543 nan 8.190 nan 0.000 0.447 131 L N -1.550 119.681 121.223 0.012 0.000 2.046 131 L HA -0.216 4.451 4.340 0.546 0.000 0.208 131 L C 2.493 179.464 176.870 0.167 0.000 1.077 131 L CA 1.950 56.810 54.840 0.034 0.000 0.747 131 L CB -0.631 41.416 42.059 -0.020 0.000 0.896 131 L HN 0.379 nan 8.230 nan 0.000 0.432 132 Y N 0.605 120.967 120.300 0.104 0.000 2.133 132 Y HA -0.221 4.655 4.550 0.544 0.000 0.287 132 Y C 2.353 178.302 175.900 0.081 0.000 1.134 132 Y CA 1.501 59.679 58.100 0.130 0.000 1.133 132 Y CB -0.238 38.414 38.460 0.321 0.000 0.987 132 Y HN -0.014 nan 8.280 nan 0.000 0.502 133 L N -1.758 119.520 121.223 0.091 0.000 2.093 133 L HA -0.255 4.413 4.340 0.546 0.000 0.208 133 L C 2.490 179.317 176.870 -0.072 0.000 1.085 133 L CA 1.052 55.830 54.840 -0.103 0.000 0.755 133 L CB -0.660 41.286 42.059 -0.189 0.000 0.904 133 L HN 0.405 nan 8.230 nan 0.000 0.435 134 W N 0.108 121.288 121.300 -0.199 0.000 2.381 134 W HA -0.171 4.814 4.660 0.542 0.000 0.301 134 W C 2.626 179.055 176.519 -0.151 0.000 1.205 134 W CA 0.893 58.149 57.345 -0.148 0.000 1.285 134 W CB -0.070 29.335 29.460 -0.091 0.000 1.133 134 W HN 0.198 nan 8.180 nan 0.000 0.521 135 A N 0.565 123.401 122.820 0.026 0.000 1.908 135 A HA -0.205 4.443 4.320 0.546 0.000 0.218 135 A C 1.992 179.433 177.584 -0.238 0.000 1.181 135 A CA 1.460 53.424 52.037 -0.121 0.000 0.627 135 A CB -1.117 17.781 19.000 -0.170 0.000 0.818 135 A HN 0.262 nan 8.150 nan 0.000 0.445 136 L N -1.020 120.008 121.223 -0.325 0.000 2.083 136 L HA -0.196 4.471 4.340 0.546 0.000 0.209 136 L C 2.600 179.357 176.870 -0.189 0.000 1.083 136 L CA 1.709 56.377 54.840 -0.285 0.000 0.752 136 L CB -0.372 41.471 42.059 -0.359 0.000 0.899 136 L HN 0.289 nan 8.230 nan 0.000 0.433 137 K N 1.011 121.267 120.400 -0.239 0.000 2.063 137 K HA -0.146 4.502 4.320 0.546 0.000 0.208 137 K C 1.841 178.320 176.600 -0.202 0.000 1.048 137 K CA 1.645 57.777 56.287 -0.258 0.000 0.928 137 K CB -0.400 31.854 32.500 -0.411 0.000 0.713 137 K HN 0.200 nan 8.250 nan 0.000 0.442 138 I N 0.096 120.565 120.570 -0.168 0.000 2.226 138 I HA -0.249 4.249 4.170 0.546 0.000 0.245 138 I C 2.074 178.084 176.117 -0.179 0.000 1.100 138 I CA 0.701 61.932 61.300 -0.114 0.000 1.374 138 I CB -0.236 37.755 38.000 -0.015 0.000 1.057 138 I HN 0.131 nan 8.210 nan 0.000 0.413 139 L N -0.153 120.886 121.223 -0.307 0.000 2.109 139 L HA -0.108 4.559 4.340 0.546 0.000 0.207 139 L C 0.391 176.849 176.870 -0.686 0.000 1.086 139 L CA 1.839 56.345 54.840 -0.556 0.000 0.760 139 L CB -0.237 41.340 42.059 -0.803 0.000 0.910 139 L HN 0.178 nan 8.230 nan 0.000 0.437 140 Y N -0.335 119.876 120.300 -0.149 0.000 2.495 140 Y HA 0.366 5.243 4.550 0.545 0.000 0.362 140 Y C -1.649 174.126 175.900 -0.208 0.000 0.956 140 Y CA -2.566 55.443 58.100 -0.152 0.000 1.127 140 Y CB -0.236 38.134 38.460 -0.150 0.000 1.173 140 Y HN 0.102 nan 8.280 nan 0.000 0.639 141 P HA -0.175 nan 4.420 nan 0.000 0.219 141 P C 0.797 177.993 177.300 -0.175 0.000 1.146 141 P CA 1.466 64.487 63.100 -0.130 0.000 0.808 141 P CB 0.574 32.231 31.700 -0.070 0.000 0.779 142 K N -0.873 119.465 120.400 -0.104 0.000 2.358 142 K HA 0.141 4.789 4.320 0.546 0.000 0.200 142 K C 1.507 178.059 176.600 -0.080 0.000 1.030 142 K CA 0.771 57.050 56.287 -0.015 0.000 1.097 142 K CB -0.052 32.503 32.500 0.091 0.000 0.862 142 K HN 0.287 nan 8.250 nan 0.000 0.534 143 T N -2.971 111.422 114.554 -0.269 0.000 2.986 143 T HA 0.284 4.962 4.350 0.546 0.000 0.264 143 T C 0.398 174.921 174.700 -0.294 0.000 0.964 143 T CA -0.343 61.666 62.100 -0.153 0.000 0.895 143 T CB 0.196 69.052 68.868 -0.021 0.000 1.163 143 T HN -0.009 nan 8.240 nan 0.000 0.517 144 L N 1.651 122.572 121.223 -0.503 0.000 2.325 144 L HA 0.750 5.418 4.340 0.546 0.000 0.281 144 L C -1.814 174.690 176.870 -0.611 0.000 1.004 144 L CA -1.136 53.537 54.840 -0.277 0.000 0.823 144 L CB 1.202 43.231 42.059 -0.050 0.000 1.236 144 L HN 0.084 nan 8.230 nan 0.000 0.415 145 F N 5.125 125.183 119.950 0.180 0.000 2.532 145 F HA 0.633 5.486 4.527 0.544 0.000 0.321 145 F C -0.568 175.337 175.800 0.175 0.000 1.089 145 F CA -0.639 57.432 58.000 0.119 0.000 0.926 145 F CB 1.800 40.863 39.000 0.106 0.000 1.168 145 F HN 0.163 nan 8.300 nan 0.000 0.459 146 L N 4.387 125.752 121.223 0.236 0.000 2.381 146 L HA 0.564 5.232 4.340 0.546 0.000 0.274 146 L C -0.769 176.224 176.870 0.206 0.000 0.988 146 L CA -0.534 54.422 54.840 0.193 0.000 0.824 146 L CB 1.770 43.719 42.059 -0.183 0.000 1.263 146 L HN 0.495 nan 8.230 nan 0.000 0.410 147 L N 1.920 123.302 121.223 0.265 0.000 2.400 147 L HA 0.573 5.240 4.340 0.546 0.000 0.264 147 L C 0.289 177.234 176.870 0.125 0.000 1.061 147 L CA -0.852 54.080 54.840 0.152 0.000 0.799 147 L CB 1.230 43.349 42.059 0.101 0.000 1.240 147 L HN 0.564 nan 8.230 nan 0.000 0.461 148 R N -0.217 120.296 120.500 0.022 0.000 2.308 148 R HA 0.438 5.106 4.340 0.546 0.000 0.305 148 R C -0.168 175.987 176.300 -0.241 0.000 1.053 148 R CA -0.116 55.939 56.100 -0.075 0.000 0.957 148 R CB 1.167 31.434 30.300 -0.055 0.000 1.022 148 R HN 0.823 nan 8.270 nan 0.000 0.461 149 G N 1.346 109.856 108.800 -0.483 0.000 2.521 149 G HA2 0.023 4.311 3.960 0.546 0.000 0.323 149 G HA3 0.023 4.311 3.960 0.546 0.000 0.323 149 G C 0.559 175.072 174.900 -0.645 0.000 1.211 149 G CA -0.708 43.845 45.100 -0.912 0.000 0.979 149 G HN 0.823 nan 8.290 nan 0.000 0.490 150 N N -0.765 117.496 118.700 -0.731 0.000 2.364 150 N HA -0.165 4.903 4.740 0.546 0.000 0.183 150 N C 1.140 176.403 175.510 -0.411 0.000 1.022 150 N CA 1.155 53.802 53.050 -0.671 0.000 0.883 150 N CB -0.365 37.220 38.487 -1.502 0.000 0.965 150 N HN 0.656 nan 8.380 nan 0.000 0.438 151 H N 0.070 118.912 119.070 -0.381 0.000 2.529 151 H HA 0.100 4.944 4.556 0.480 0.000 0.277 151 H C 0.148 175.367 175.328 -0.182 0.000 0.999 151 H CA 0.503 56.433 56.048 -0.196 0.000 1.256 151 H CB 0.375 30.027 29.762 -0.182 0.000 1.402 151 H HN 0.284 nan 8.280 nan 0.000 0.566 152 E N 1.272 121.314 120.200 -0.263 0.000 2.515 152 E HA 0.086 4.764 4.350 0.546 0.000 0.315 152 E C -0.312 176.303 176.600 0.025 0.000 1.523 152 E CA -0.228 55.879 56.400 -0.488 0.000 1.704 152 E CB -0.376 28.848 29.700 -0.794 0.000 1.395 152 E HN 0.373 nan 8.360 nan 0.000 0.490 153 C N -2.794 116.630 119.300 0.206 0.000 3.323 153 C HA 0.511 5.298 4.460 0.546 0.000 0.324 153 C C 1.471 176.665 174.990 0.339 0.000 1.428 153 C CA -1.013 58.172 59.018 0.280 0.000 1.368 153 C CB 1.678 29.554 27.740 0.226 0.000 1.731 153 C HN 0.429 nan 8.230 nan 0.000 0.455 154 R N -0.429 120.252 120.500 0.301 0.000 2.066 154 R HA -0.083 4.585 4.340 0.546 0.000 0.232 154 R C 2.146 178.672 176.300 0.377 0.000 1.131 154 R CA 2.303 58.603 56.100 0.334 0.000 0.955 154 R CB -0.658 29.796 30.300 0.258 0.000 0.851 154 R HN 0.929 nan 8.270 nan 0.000 0.432 155 H N 0.399 119.615 119.070 0.243 0.000 2.353 155 H HA -0.086 4.793 4.556 0.538 0.000 0.300 155 H C 1.647 177.147 175.328 0.286 0.000 1.090 155 H CA 1.581 57.763 56.048 0.223 0.000 1.327 155 H CB 0.023 29.890 29.762 0.175 0.000 1.383 155 H HN -0.002 nan 8.280 nan 0.000 0.508 156 L N 0.015 121.413 121.223 0.292 0.000 2.072 156 L HA -0.079 4.589 4.340 0.546 0.000 0.205 156 L C 2.752 179.921 176.870 0.498 0.000 1.079 156 L CA 1.974 57.025 54.840 0.351 0.000 0.752 156 L CB -0.943 41.231 42.059 0.193 0.000 0.906 156 L HN 0.574 nan 8.230 nan 0.000 0.436 157 T N -3.654 111.181 114.554 0.469 0.000 2.962 157 T HA -0.190 4.487 4.350 0.546 0.000 0.270 157 T C 1.669 176.611 174.700 0.404 0.000 1.088 157 T CA 1.172 63.607 62.100 0.559 0.000 1.127 157 T CB -0.269 69.070 68.868 0.785 0.000 0.883 157 T HN 0.439 nan 8.240 nan 0.000 0.493 158 E N -0.381 120.005 120.200 0.311 0.000 2.112 158 E HA -0.124 4.554 4.350 0.546 0.000 0.190 158 E C 1.884 178.539 176.600 0.092 0.000 0.979 158 E CA 0.523 57.007 56.400 0.139 0.000 0.814 158 E CB -0.212 29.571 29.700 0.138 0.000 0.762 158 E HN 0.660 nan 8.360 nan 0.000 0.460 159 Y N -0.136 120.139 120.300 -0.041 0.000 2.243 159 Y HA -0.016 4.845 4.550 0.518 0.000 0.293 159 Y C 0.635 176.389 175.900 -0.243 0.000 1.124 159 Y CA 1.051 59.025 58.100 -0.211 0.000 1.159 159 Y CB -0.055 38.168 38.460 -0.395 0.000 1.008 159 Y HN -0.055 nan 8.280 nan 0.000 0.527 160 F N -0.628 119.360 119.950 0.064 0.000 2.360 160 F HA 0.103 4.857 4.527 0.378 0.000 0.194 160 F C 2.275 178.077 175.800 0.002 0.000 0.766 160 F CA 0.928 58.929 58.000 0.001 0.000 1.061 160 F CB -0.682 38.430 39.000 0.186 0.000 2.226 160 F HN -0.169 nan 8.300 nan 0.000 0.684 161 T N -3.017 111.716 114.554 0.299 0.000 3.014 161 T HA 0.011 4.688 4.350 0.546 0.000 0.250 161 T C 1.601 176.444 174.700 0.237 0.000 1.060 161 T CA 0.119 62.332 62.100 0.188 0.000 1.040 161 T CB -0.588 68.334 68.868 0.090 0.000 0.971 161 T HN 0.272 nan 8.240 nan 0.000 0.497 162 F N 2.800 122.833 119.950 0.138 0.000 2.134 162 F HA 0.140 4.994 4.527 0.545 0.000 0.299 162 F C 2.174 177.986 175.800 0.019 0.000 1.097 162 F CA 1.037 59.101 58.000 0.106 0.000 1.264 162 F CB -0.246 38.895 39.000 0.235 0.000 1.001 162 F HN 0.075 nan 8.300 nan 0.000 0.479 163 K N -0.178 120.158 120.400 -0.106 0.000 2.032 163 K HA -0.292 4.356 4.320 0.546 0.000 0.209 163 K C 2.252 178.550 176.600 -0.504 0.000 1.048 163 K CA 1.816 57.717 56.287 -0.644 0.000 0.927 163 K CB -0.326 31.728 32.500 -0.744 0.000 0.712 163 K HN 0.283 nan 8.250 nan 0.000 0.441 164 Q N 1.141 120.772 119.800 -0.281 0.000 2.119 164 Q HA -0.180 4.488 4.340 0.546 0.000 0.201 164 Q C 1.762 177.529 176.000 -0.388 0.000 0.972 164 Q CA 1.939 57.613 55.803 -0.215 0.000 0.847 164 Q CB -0.059 28.666 28.738 -0.023 0.000 0.903 164 Q HN 0.434 nan 8.270 nan 0.000 0.433 165 E N -1.036 118.811 120.200 -0.588 0.000 2.058 165 E HA -0.221 4.457 4.350 0.546 0.000 0.194 165 E C 1.782 177.946 176.600 -0.726 0.000 0.997 165 E CA 1.604 57.280 56.400 -1.207 0.000 0.801 165 E CB -0.198 28.896 29.700 -1.010 0.000 0.746 165 E HN 0.527 nan 8.360 nan 0.000 0.450 166 C N 0.700 119.653 119.300 -0.580 0.000 2.432 166 C HA -0.068 4.719 4.460 0.546 0.000 0.277 166 C C 2.510 177.358 174.990 -0.238 0.000 1.249 166 C CA 0.892 59.685 59.018 -0.375 0.000 1.725 166 C CB -0.739 26.745 27.740 -0.428 0.000 2.028 166 C HN 0.442 nan 8.230 nan 0.000 0.477 167 K N 0.450 120.682 120.400 -0.280 0.000 2.063 167 K HA -0.121 4.527 4.320 0.546 0.000 0.208 167 K C 1.787 178.296 176.600 -0.153 0.000 1.048 167 K CA 1.226 57.402 56.287 -0.185 0.000 0.928 167 K CB -0.135 32.253 32.500 -0.186 0.000 0.713 167 K HN 0.376 nan 8.250 nan 0.000 0.442 168 I N 1.353 121.797 120.570 -0.211 0.000 2.277 168 I HA -0.163 4.335 4.170 0.546 0.000 0.243 168 I C 1.834 177.850 176.117 -0.167 0.000 1.094 168 I CA 1.519 62.724 61.300 -0.158 0.000 1.393 168 I CB -0.658 37.246 38.000 -0.159 0.000 1.078 168 I HN 0.097 nan 8.210 nan 0.000 0.417 169 K N -1.070 119.178 120.400 -0.254 0.000 2.167 169 K HA -0.077 4.571 4.320 0.546 0.000 0.203 169 K C 1.020 177.331 176.600 -0.482 0.000 1.052 169 K CA 1.186 57.298 56.287 -0.292 0.000 0.956 169 K CB 0.221 32.579 32.500 -0.236 0.000 0.735 169 K HN 0.201 nan 8.250 nan 0.000 0.451 170 Y N -0.839 119.381 120.300 -0.133 0.000 2.473 170 Y HA 0.156 5.033 4.550 0.545 0.000 0.094 170 Y C 0.399 176.242 175.900 -0.094 0.000 0.933 170 Y CA -0.339 57.703 58.100 -0.098 0.000 1.798 170 Y CB 0.566 38.959 38.460 -0.110 0.000 1.118 170 Y HN -0.090 nan 8.280 nan 0.000 0.223 171 S N -1.249 114.507 115.700 0.094 0.000 2.636 171 S HA 0.263 5.061 4.470 0.546 0.000 0.268 171 S C -0.094 174.497 174.600 -0.015 0.000 1.159 171 S CA -0.729 57.478 58.200 0.011 0.000 0.815 171 S CB 1.605 64.819 63.200 0.024 0.000 1.130 171 S HN 0.418 nan 8.310 nan 0.000 0.471 172 E N 0.338 120.524 120.200 -0.023 0.000 2.204 172 E HA -0.118 4.560 4.350 0.546 0.000 0.195 172 E C 1.908 178.535 176.600 0.045 0.000 0.990 172 E CA 0.852 57.254 56.400 0.003 0.000 0.821 172 E CB -0.131 29.567 29.700 -0.004 0.000 0.750 172 E HN 0.474 nan 8.360 nan 0.000 0.477 173 R N 0.006 120.513 120.500 0.011 0.000 2.091 173 R HA -0.134 4.533 4.340 0.546 0.000 0.238 173 R C 2.404 178.679 176.300 -0.042 0.000 1.136 173 R CA 1.213 57.309 56.100 -0.008 0.000 0.959 173 R CB -0.344 29.950 30.300 -0.010 0.000 0.856 173 R HN 0.055 nan 8.270 nan 0.000 0.437 174 V N 0.275 120.157 119.914 -0.053 0.000 2.295 174 V HA -0.285 4.163 4.120 0.546 0.000 0.246 174 V C 1.966 177.967 176.094 -0.154 0.000 1.049 174 V CA 1.805 64.026 62.300 -0.131 0.000 1.024 174 V CB -0.638 31.085 31.823 -0.167 0.000 0.648 174 V HN 0.296 nan 8.190 nan 0.000 0.447 175 Y N 1.625 121.772 120.300 -0.254 0.000 2.081 175 Y HA -0.288 4.586 4.550 0.539 0.000 0.280 175 Y C 2.408 178.194 175.900 -0.190 0.000 1.163 175 Y CA 2.171 60.100 58.100 -0.285 0.000 1.135 175 Y CB -0.506 37.799 38.460 -0.259 0.000 0.970 175 Y HN 0.336 nan 8.280 nan 0.000 0.498 176 D N -0.013 120.306 120.400 -0.134 0.000 2.144 176 D HA -0.171 4.797 4.640 0.546 0.000 0.199 176 D C 2.278 178.438 176.300 -0.234 0.000 0.984 176 D CA 1.460 55.345 54.000 -0.191 0.000 0.834 176 D CB -0.599 40.178 40.800 -0.038 0.000 0.955 176 D HN 0.498 nan 8.370 nan 0.000 0.465 177 A N 0.352 123.049 122.820 -0.204 0.000 1.930 177 A HA -0.170 4.477 4.320 0.546 0.000 0.217 177 A C 2.541 179.934 177.584 -0.319 0.000 1.175 177 A CA 1.148 53.063 52.037 -0.202 0.000 0.627 177 A CB -0.872 18.030 19.000 -0.164 0.000 0.815 177 A HN 0.334 nan 8.150 nan 0.000 0.443 178 C N -0.872 118.151 119.300 -0.461 0.000 2.429 178 C HA -0.123 4.664 4.460 0.546 0.000 0.277 178 C C 2.866 177.301 174.990 -0.925 0.000 1.262 178 C CA 1.289 59.835 59.018 -0.788 0.000 1.733 178 C CB -1.015 26.283 27.740 -0.736 0.000 2.010 178 C HN 0.573 nan 8.230 nan 0.000 0.483 179 M N 0.840 120.045 119.600 -0.659 0.000 2.108 179 M HA -0.121 4.687 4.480 0.546 0.000 0.261 179 M C 1.674 177.880 176.300 -0.156 0.000 1.066 179 M CA 1.700 56.766 55.300 -0.390 0.000 1.107 179 M CB -1.548 30.830 32.600 -0.370 0.000 1.356 179 M HN 0.370 nan 8.290 nan 0.000 0.406 180 D N 0.406 120.716 120.400 -0.151 0.000 2.117 180 D HA -0.044 4.924 4.640 0.546 0.000 0.197 180 D C 2.034 178.365 176.300 0.052 0.000 0.987 180 D CA 1.676 55.663 54.000 -0.022 0.000 0.829 180 D CB -0.187 40.594 40.800 -0.032 0.000 0.961 180 D HN 0.337 nan 8.370 nan 0.000 0.460 181 A N 0.445 123.258 122.820 -0.011 0.000 1.930 181 A HA -0.144 4.503 4.320 0.546 0.000 0.217 181 A C 1.928 179.754 177.584 0.404 0.000 1.175 181 A CA 0.836 52.989 52.037 0.193 0.000 0.627 181 A CB -0.753 18.342 19.000 0.158 0.000 0.815 181 A HN 0.095 nan 8.150 nan 0.000 0.443 182 F N 0.976 121.027 119.950 0.167 0.000 2.186 182 F HA -0.104 4.754 4.527 0.551 0.000 0.299 182 F C 1.859 177.742 175.800 0.138 0.000 1.090 182 F CA 0.906 59.012 58.000 0.177 0.000 1.307 182 F CB -1.063 37.994 39.000 0.095 0.000 1.019 182 F HN 0.249 nan 8.300 nan 0.000 0.489 183 D N -0.697 119.889 120.400 0.309 0.000 2.228 183 D HA -0.166 4.801 4.640 0.546 0.000 0.203 183 D C 2.261 178.679 176.300 0.197 0.000 0.988 183 D CA 1.091 55.223 54.000 0.220 0.000 0.864 183 D CB -0.576 40.358 40.800 0.224 0.000 0.928 183 D HN 0.253 nan 8.370 nan 0.000 0.469 184 C N 0.176 119.645 119.300 0.282 0.000 2.514 184 C HA 0.148 4.936 4.460 0.546 0.000 0.271 184 C C 1.257 176.321 174.990 0.123 0.000 1.399 184 C CA -0.699 58.499 59.018 0.300 0.000 1.765 184 C CB -0.829 27.122 27.740 0.352 0.000 1.893 184 C HN 0.225 nan 8.230 nan 0.000 0.531 185 L N 2.342 123.647 121.223 0.136 0.000 2.499 185 L HA 0.138 4.805 4.340 0.546 0.000 0.273 185 L C -2.029 174.841 176.870 0.000 0.000 1.195 185 L CA -1.019 53.877 54.840 0.094 0.000 0.882 185 L CB 0.030 42.181 42.059 0.154 0.000 1.133 185 L HN -0.059 nan 8.230 nan 0.000 0.483 186 P HA 0.004 nan 4.420 nan 0.000 0.269 186 P C 0.481 177.770 177.300 -0.017 0.000 1.217 186 P CA -0.041 63.048 63.100 -0.019 0.000 0.783 186 P CB 0.582 32.298 31.700 0.027 0.000 0.898 187 L N -0.142 121.059 121.223 -0.037 0.000 2.354 187 L HA 0.327 4.995 4.340 0.546 0.000 0.212 187 L C 1.001 177.866 176.870 -0.008 0.000 1.091 187 L CA 0.579 55.403 54.840 -0.028 0.000 0.828 187 L CB -0.185 41.849 42.059 -0.042 0.000 0.973 187 L HN 0.391 nan 8.230 nan 0.000 0.461 188 A N -0.452 122.366 122.820 -0.002 0.000 2.610 188 A HA 0.833 5.481 4.320 0.546 0.000 0.291 188 A C -1.676 175.907 177.584 -0.001 0.000 1.086 188 A CA -0.060 51.979 52.037 0.003 0.000 0.677 188 A CB 1.295 20.295 19.000 0.001 0.000 1.278 188 A HN -0.021 nan 8.150 nan 0.000 0.414 189 A N -0.084 122.735 122.820 -0.003 0.000 2.475 189 A HA 0.734 5.381 4.320 0.546 0.000 0.301 189 A C -1.557 176.020 177.584 -0.012 0.000 1.059 189 A CA -0.475 51.543 52.037 -0.032 0.000 0.710 189 A CB 1.425 20.391 19.000 -0.057 0.000 1.288 189 A HN 1.938 nan 8.150 nan 0.000 0.408 190 L N 2.827 124.032 121.223 -0.029 0.000 2.276 190 L HA 0.589 5.257 4.340 0.546 0.000 0.286 190 L C -0.343 176.517 176.870 -0.017 0.000 1.024 190 L CA -0.250 54.585 54.840 -0.010 0.000 0.826 190 L CB 0.977 43.023 42.059 -0.022 0.000 1.211 190 L HN 0.775 nan 8.230 nan 0.000 0.422 191 M N 4.828 124.448 119.600 0.035 0.000 2.180 191 M HA 0.253 5.060 4.480 0.546 0.000 0.350 191 M C 0.397 176.757 176.300 0.100 0.000 1.125 191 M CA -0.022 55.315 55.300 0.061 0.000 1.031 191 M CB 0.812 33.462 32.600 0.084 0.000 1.623 191 M HN 0.839 nan 8.290 nan 0.000 0.451 192 N N 3.257 122.007 118.700 0.083 0.000 2.696 192 N HA -0.238 4.829 4.740 0.546 0.000 0.249 192 N C -0.246 175.260 175.510 -0.007 0.000 1.090 192 N CA 1.551 54.653 53.050 0.086 0.000 0.716 192 N CB -0.845 37.791 38.487 0.249 0.000 1.020 192 N HN 0.868 nan 8.380 nan 0.000 0.548 193 Q N -3.238 116.539 119.800 -0.039 0.000 2.422 193 Q HA -0.378 4.290 4.340 0.546 0.000 0.245 193 Q C 0.564 176.466 176.000 -0.163 0.000 0.922 193 Q CA 1.838 57.591 55.803 -0.083 0.000 1.192 193 Q CB -1.005 27.690 28.738 -0.072 0.000 1.641 193 Q HN 0.783 nan 8.270 nan 0.000 0.552 194 Q N -1.463 118.185 119.800 -0.253 0.000 2.422 194 Q HA 0.215 4.882 4.340 0.546 0.000 0.255 194 Q C -0.401 175.181 176.000 -0.697 0.000 0.864 194 Q CA 0.270 55.733 55.803 -0.566 0.000 0.968 194 Q CB 0.846 29.022 28.738 -0.937 0.000 1.130 194 Q HN 0.186 nan 8.270 nan 0.000 0.556 195 F N 0.696 120.560 119.950 -0.143 0.000 2.520 195 F HA 0.390 5.245 4.527 0.546 0.000 0.322 195 F C -0.542 175.225 175.800 -0.055 0.000 1.103 195 F CA -1.323 56.607 58.000 -0.117 0.000 0.926 195 F CB 1.360 40.252 39.000 -0.180 0.000 1.154 195 F HN -0.111 nan 8.300 nan 0.000 0.453 196 L N 3.665 124.992 121.223 0.173 0.000 2.276 196 L HA 0.578 5.246 4.340 0.546 0.000 0.286 196 L C -1.031 175.890 176.870 0.085 0.000 1.061 196 L CA -0.257 54.657 54.840 0.123 0.000 0.807 196 L CB 0.409 42.566 42.059 0.162 0.000 1.177 196 L HN 0.722 nan 8.230 nan 0.000 0.429 197 C N 5.751 125.079 119.300 0.047 0.000 2.322 197 C HA 0.815 5.602 4.460 0.546 0.000 0.324 197 C C -0.140 174.855 174.990 0.009 0.000 1.249 197 C CA -0.855 58.175 59.018 0.019 0.000 1.453 197 C CB 0.423 28.169 27.740 0.009 0.000 2.145 197 C HN 0.739 nan 8.230 nan 0.000 0.466 198 V N 0.348 120.260 119.914 -0.004 0.000 3.159 198 V HA 0.527 4.975 4.120 0.546 0.000 0.308 198 V C 0.709 176.803 176.094 0.000 0.000 1.190 198 V CA -0.531 61.766 62.300 -0.005 0.000 1.037 198 V CB 1.355 33.156 31.823 -0.036 0.000 1.060 198 V HN 0.792 nan 8.190 nan 0.000 0.437 199 H N 2.234 121.248 119.070 -0.093 0.000 2.293 199 H HA 0.139 5.010 4.556 0.525 0.000 0.300 199 H C 1.696 176.953 175.328 -0.118 0.000 1.082 199 H CA 3.020 58.988 56.048 -0.133 0.000 1.308 199 H CB -0.066 29.552 29.762 -0.240 0.000 1.375 199 H HN 0.937 nan 8.280 nan 0.000 0.495 200 G N -2.264 106.414 108.800 -0.203 0.000 2.808 200 G HA2 0.471 4.759 3.960 0.546 0.000 0.210 200 G HA3 0.471 4.759 3.960 0.546 0.000 0.210 200 G C 0.549 175.500 174.900 0.085 0.000 1.177 200 G CA 0.457 45.454 45.100 -0.171 0.000 0.853 200 G HN 0.828 nan 8.290 nan 0.000 0.625 201 G N -0.970 107.861 108.800 0.051 0.000 2.512 201 G HA2 0.336 4.624 3.960 0.546 0.000 0.181 201 G HA3 0.336 4.624 3.960 0.546 0.000 0.181 201 G C -1.373 173.411 174.900 -0.193 0.000 1.173 201 G CA -0.640 44.421 45.100 -0.064 0.000 0.988 201 G HN 0.343 nan 8.290 nan 0.000 0.485 202 L N 0.278 121.268 121.223 -0.390 0.000 2.376 202 L HA 0.800 5.467 4.340 0.546 0.000 0.267 202 L C 0.362 177.216 176.870 -0.026 0.000 1.035 202 L CA -0.812 53.842 54.840 -0.310 0.000 0.800 202 L CB 1.838 43.632 42.059 -0.442 0.000 1.290 202 L HN 0.625 nan 8.230 nan 0.000 0.462 203 S N -0.393 115.177 115.700 -0.217 0.000 2.541 203 S HA 0.486 5.283 4.470 0.546 0.000 0.280 203 S C -2.213 171.832 174.600 -0.925 0.000 1.112 203 S CA -1.364 56.578 58.200 -0.430 0.000 0.925 203 S CB 1.942 65.020 63.200 -0.204 0.000 1.067 203 S HN 0.374 nan 8.310 nan 0.000 0.479 204 P HA -0.001 nan 4.420 nan 0.000 0.225 204 P C 0.347 177.359 177.300 -0.481 0.000 1.148 204 P CA 0.940 63.289 63.100 -1.252 0.000 0.779 204 P CB 0.069 31.078 31.700 -1.152 0.000 0.780 205 E N -0.601 119.393 120.200 -0.343 0.000 2.437 205 E HA 0.193 4.870 4.350 0.546 0.000 0.189 205 E C 0.314 176.860 176.600 -0.091 0.000 1.054 205 E CA -0.117 56.191 56.400 -0.154 0.000 0.874 205 E CB -0.029 29.615 29.700 -0.094 0.000 1.011 205 E HN 0.322 nan 8.360 nan 0.000 0.474 206 I N 1.032 121.544 120.570 -0.097 0.000 2.464 206 I HA 0.166 4.663 4.170 0.546 0.000 0.277 206 I C 0.137 176.348 176.117 0.157 0.000 1.040 206 I CA -0.203 61.105 61.300 0.013 0.000 1.153 206 I CB 1.205 39.188 38.000 -0.028 0.000 1.274 206 I HN -0.003 nan 8.210 nan 0.000 0.469 207 N N 2.334 121.138 118.700 0.174 0.000 2.388 207 N HA 0.041 5.109 4.740 0.546 0.000 0.176 207 N C 0.222 175.890 175.510 0.264 0.000 1.062 207 N CA 0.278 53.455 53.050 0.212 0.000 0.895 207 N CB 0.617 39.133 38.487 0.049 0.000 1.018 207 N HN 0.629 nan 8.380 nan 0.000 0.456 208 T N -3.231 111.460 114.554 0.228 0.000 2.883 208 T HA 0.358 5.036 4.350 0.546 0.000 0.296 208 T C 0.789 175.577 174.700 0.146 0.000 1.117 208 T CA -0.794 61.374 62.100 0.114 0.000 1.006 208 T CB 1.252 70.161 68.868 0.068 0.000 1.191 208 T HN -0.180 nan 8.240 nan 0.000 0.508 209 L N 0.230 121.494 121.223 0.068 0.000 2.079 209 L HA -0.088 4.580 4.340 0.546 0.000 0.210 209 L C 2.329 179.232 176.870 0.055 0.000 1.081 209 L CA 1.752 56.642 54.840 0.083 0.000 0.752 209 L CB -0.659 41.414 42.059 0.022 0.000 0.896 209 L HN 0.809 nan 8.230 nan 0.000 0.433 210 D N 0.005 120.424 120.400 0.032 0.000 2.190 210 D HA -0.205 4.762 4.640 0.546 0.000 0.200 210 D C 1.645 177.965 176.300 0.035 0.000 0.992 210 D CA 1.038 55.053 54.000 0.025 0.000 0.854 210 D CB 0.069 40.878 40.800 0.015 0.000 0.936 210 D HN 0.269 nan 8.370 nan 0.000 0.462 211 D N -0.616 119.816 120.400 0.052 0.000 2.312 211 D HA -0.048 4.919 4.640 0.546 0.000 0.211 211 D C 1.973 178.291 176.300 0.031 0.000 0.964 211 D CA 0.375 54.401 54.000 0.042 0.000 0.877 211 D CB 0.141 40.972 40.800 0.053 0.000 0.924 211 D HN 0.396 nan 8.370 nan 0.000 0.515 212 I N 0.621 121.214 120.570 0.038 0.000 2.400 212 I HA -0.125 4.373 4.170 0.546 0.000 0.248 212 I C 2.379 178.503 176.117 0.011 0.000 1.109 212 I CA 0.473 61.785 61.300 0.020 0.000 1.425 212 I CB -0.045 37.971 38.000 0.027 0.000 1.094 212 I HN -0.181 nan 8.210 nan 0.000 0.425 213 R N 1.256 121.767 120.500 0.018 0.000 2.170 213 R HA -0.181 4.486 4.340 0.546 0.000 0.242 213 R C 1.834 178.145 176.300 0.020 0.000 1.145 213 R CA 1.211 57.321 56.100 0.017 0.000 0.984 213 R CB -0.345 29.965 30.300 0.018 0.000 0.869 213 R HN 0.403 nan 8.270 nan 0.000 0.455 214 K N 0.316 120.727 120.400 0.018 0.000 2.426 214 K HA 0.132 4.779 4.320 0.546 0.000 0.193 214 K C 0.482 177.092 176.600 0.018 0.000 1.028 214 K CA 0.034 56.333 56.287 0.020 0.000 1.047 214 K CB 0.218 32.728 32.500 0.017 0.000 0.821 214 K HN 0.080 nan 8.250 nan 0.000 0.513 215 L N 1.610 122.837 121.223 0.007 0.000 2.452 215 L HA 0.041 4.709 4.340 0.546 0.000 0.267 215 L C 0.178 177.054 176.870 0.009 0.000 1.188 215 L CA -0.330 54.508 54.840 -0.003 0.000 0.821 215 L CB 0.270 42.316 42.059 -0.022 0.000 1.102 215 L HN 0.028 nan 8.230 nan 0.000 0.470 216 D N 1.050 121.460 120.400 0.016 0.000 2.412 216 D HA 0.153 5.121 4.640 0.546 0.000 0.224 216 D C 0.779 177.073 176.300 -0.010 0.000 1.093 216 D CA -0.574 53.460 54.000 0.056 0.000 0.850 216 D CB 0.880 41.735 40.800 0.092 0.000 1.046 216 D HN 0.471 nan 8.370 nan 0.000 0.507 217 R N 2.874 123.276 120.500 -0.164 0.000 2.300 217 R HA 0.129 4.796 4.340 0.546 0.000 0.199 217 R C 0.008 176.141 176.300 -0.279 0.000 0.920 217 R CA -0.063 55.869 56.100 -0.280 0.000 1.046 217 R CB -0.181 29.864 30.300 -0.425 0.000 0.984 217 R HN 0.222 nan 8.270 nan 0.000 0.493 218 F N 4.028 124.005 119.950 0.045 0.000 2.661 218 F HA 0.256 5.113 4.527 0.549 0.000 0.356 218 F C 0.067 175.896 175.800 0.048 0.000 1.244 218 F CA 0.059 58.090 58.000 0.051 0.000 1.290 218 F CB 0.061 39.086 39.000 0.042 0.000 1.677 218 F HN 0.099 nan 8.300 nan 0.000 0.649 219 K N -0.838 119.650 120.400 0.147 0.000 2.772 219 K HA 0.292 4.939 4.320 0.546 0.000 0.292 219 K C -1.310 175.350 176.600 0.099 0.000 1.049 219 K CA -1.257 55.101 56.287 0.118 0.000 0.846 219 K CB 0.755 33.309 32.500 0.090 0.000 1.514 219 K HN -0.042 nan 8.250 nan 0.000 0.373 220 E N 1.822 122.081 120.200 0.099 0.000 2.465 220 E HA 0.131 4.809 4.350 0.546 0.000 0.260 220 E C -2.271 174.382 176.600 0.089 0.000 0.980 220 E CA -1.001 55.464 56.400 0.108 0.000 0.927 220 E CB 0.421 30.185 29.700 0.106 0.000 0.934 220 E HN 0.276 nan 8.360 nan 0.000 0.459 221 P HA 0.133 nan 4.420 nan 0.000 0.268 221 P C -2.460 174.883 177.300 0.071 0.000 1.204 221 P CA -0.799 62.361 63.100 0.100 0.000 0.768 221 P CB 0.373 32.176 31.700 0.172 0.000 0.842 222 P HA 0.198 nan 4.420 nan 0.000 0.277 222 P C 0.124 177.409 177.300 -0.025 0.000 1.271 222 P CA -0.396 62.684 63.100 -0.033 0.000 0.795 222 P CB 0.560 32.183 31.700 -0.129 0.000 1.101 223 A N -0.245 122.574 122.820 -0.003 0.000 2.218 223 A HA 0.183 4.830 4.320 0.546 0.000 0.209 223 A C -0.015 177.624 177.584 0.091 0.000 1.168 223 A CA 0.953 52.983 52.037 -0.012 0.000 0.804 223 A CB -0.995 17.991 19.000 -0.023 0.000 0.834 223 A HN 0.622 nan 8.150 nan 0.000 0.482 224 Y N -4.814 115.439 120.300 -0.079 0.000 2.656 224 Y HA 0.592 5.466 4.550 0.541 0.000 0.334 224 Y C 0.000 175.905 175.900 0.007 0.000 1.179 224 Y CA -1.354 56.718 58.100 -0.046 0.000 1.050 224 Y CB 0.249 38.681 38.460 -0.047 0.000 1.308 224 Y HN 1.115 nan 8.280 nan 0.000 0.456 225 G N 0.627 109.444 108.800 0.029 0.000 2.525 225 G HA2 -0.001 4.287 3.960 0.546 0.000 0.685 225 G HA3 -0.001 4.287 3.960 0.546 0.000 0.685 225 G C -2.826 172.076 174.900 0.003 0.000 1.290 225 G CA -0.505 44.553 45.100 -0.070 0.000 0.915 225 G HN 0.583 nan 8.290 nan 0.000 0.548 226 P HA -0.058 nan 4.420 nan 0.000 0.216 226 P C 2.173 179.476 177.300 0.006 0.000 1.153 226 P CA 1.915 65.007 63.100 -0.013 0.000 0.848 226 P CB 0.025 31.705 31.700 -0.032 0.000 0.787 227 M N -1.055 118.542 119.600 -0.005 0.000 2.099 227 M HA -0.177 4.631 4.480 0.546 0.000 0.262 227 M C 2.244 178.588 176.300 0.073 0.000 1.067 227 M CA 1.757 57.066 55.300 0.014 0.000 1.124 227 M CB -0.865 31.731 32.600 -0.006 0.000 1.353 227 M HN 0.021 nan 8.290 nan 0.000 0.410 228 C N 1.455 120.809 119.300 0.091 0.000 2.393 228 C HA -0.226 4.562 4.460 0.546 0.000 0.276 228 C C 2.158 177.308 174.990 0.267 0.000 1.215 228 C CA 2.034 61.171 59.018 0.199 0.000 1.743 228 C CB -1.240 26.553 27.740 0.087 0.000 2.044 228 C HN 0.616 nan 8.230 nan 0.000 0.464 229 D N 0.492 121.005 120.400 0.187 0.000 2.144 229 D HA -0.087 4.881 4.640 0.546 0.000 0.199 229 D C 2.013 178.415 176.300 0.171 0.000 0.984 229 D CA 1.426 55.561 54.000 0.224 0.000 0.834 229 D CB -0.538 40.387 40.800 0.207 0.000 0.955 229 D HN 0.587 nan 8.370 nan 0.000 0.465 230 I N 0.601 121.224 120.570 0.088 0.000 2.208 230 I HA -0.259 4.239 4.170 0.546 0.000 0.245 230 I C 2.221 178.350 176.117 0.020 0.000 1.097 230 I CA 0.968 62.285 61.300 0.029 0.000 1.363 230 I CB -0.118 37.883 38.000 0.001 0.000 1.051 230 I HN -0.014 nan 8.210 nan 0.000 0.413 231 L N -2.056 119.190 121.223 0.039 0.000 2.341 231 L HA -0.084 4.583 4.340 0.546 0.000 0.214 231 L C 1.676 178.375 176.870 -0.284 0.000 1.115 231 L CA 0.829 55.609 54.840 -0.100 0.000 0.820 231 L CB -0.273 41.713 42.059 -0.122 0.000 0.944 231 L HN 0.338 nan 8.230 nan 0.000 0.452 232 W N -0.653 120.600 121.300 -0.079 0.000 2.865 232 W HA 0.130 5.001 4.660 0.353 0.000 0.300 232 W C 1.476 178.098 176.519 0.172 0.000 1.096 232 W CA -0.188 57.153 57.345 -0.008 0.000 1.524 232 W CB 0.445 29.951 29.460 0.076 0.000 0.991 232 W HN -0.083 nan 8.180 nan 0.000 0.571 233 S N 0.622 116.547 115.700 0.375 0.000 2.632 233 S HA 0.438 5.236 4.470 0.546 0.000 0.267 233 S C -0.418 174.428 174.600 0.411 0.000 1.276 233 S CA -0.361 58.089 58.200 0.417 0.000 0.998 233 S CB 1.671 65.207 63.200 0.560 0.000 0.953 233 S HN -0.068 nan 8.310 nan 0.000 0.547 234 D N 0.881 121.376 120.400 0.157 0.000 2.645 234 D HA 0.491 5.459 4.640 0.546 0.000 0.228 234 D C -2.887 172.960 176.300 -0.755 0.000 1.148 234 D CA -1.382 52.576 54.000 -0.069 0.000 0.860 234 D CB 2.061 42.958 40.800 0.160 0.000 1.548 234 D HN 0.313 nan 8.370 nan 0.000 0.460 235 P HA 0.112 nan 4.420 nan 0.000 0.269 235 P C 0.247 177.407 177.300 -0.232 0.000 1.215 235 P CA -0.282 62.326 63.100 -0.821 0.000 0.780 235 P CB 0.962 32.128 31.700 -0.889 0.000 0.898 236 L N 2.120 123.294 121.223 -0.083 0.000 2.499 236 L HA -0.048 4.620 4.340 0.546 0.000 0.281 236 L C 2.297 179.060 176.870 -0.180 0.000 1.234 236 L CA 0.227 54.928 54.840 -0.231 0.000 0.839 236 L CB -0.090 41.911 42.059 -0.096 0.000 1.104 236 L HN 0.504 nan 8.230 nan 0.000 0.500 237 E N 1.076 121.070 120.200 -0.343 0.000 2.097 237 E HA -0.228 4.449 4.350 0.546 0.000 0.196 237 E C 0.597 177.156 176.600 -0.068 0.000 1.000 237 E CA 1.595 57.878 56.400 -0.194 0.000 0.804 237 E CB 0.155 29.707 29.700 -0.246 0.000 0.740 237 E HN 0.602 nan 8.360 nan 0.000 0.454 238 D N -0.318 120.043 120.400 -0.064 0.000 2.395 238 D HA 0.001 4.969 4.640 0.546 0.000 0.226 238 D C -0.076 176.252 176.300 0.047 0.000 1.146 238 D CA -0.278 53.713 54.000 -0.015 0.000 0.830 238 D CB -0.711 40.058 40.800 -0.052 0.000 0.958 238 D HN 0.039 nan 8.370 nan 0.000 0.501 239 F N 1.237 121.157 119.950 -0.049 0.000 2.537 239 F HA 0.051 4.908 4.527 0.549 0.000 0.402 239 F C 1.695 177.491 175.800 -0.007 0.000 1.005 239 F CA 1.677 59.674 58.000 -0.005 0.000 1.203 239 F CB 0.445 39.457 39.000 0.020 0.000 0.955 239 F HN 0.290 nan 8.300 nan 0.000 0.547 240 G N 3.778 112.284 108.800 -0.491 0.000 2.268 240 G HA2 -0.367 3.920 3.960 0.546 0.000 0.240 240 G HA3 -0.367 3.920 3.960 0.546 0.000 0.240 240 G C 0.347 175.039 174.900 -0.346 0.000 1.010 240 G CA 0.336 45.101 45.100 -0.558 0.000 0.618 240 G HN 0.921 nan 8.290 nan 0.000 0.516 241 N N 1.287 119.876 118.700 -0.185 0.000 2.599 241 N HA 0.407 5.475 4.740 0.546 0.000 0.309 241 N C -0.590 174.865 175.510 -0.091 0.000 1.743 241 N CA -0.089 52.888 53.050 -0.122 0.000 0.918 241 N CB 0.424 38.860 38.487 -0.085 0.000 1.339 241 N HN 0.534 nan 8.380 nan 0.000 0.493 242 E N -0.084 120.058 120.200 -0.097 0.000 2.191 242 E HA 0.311 4.989 4.350 0.546 0.000 0.278 242 E C 0.268 176.843 176.600 -0.041 0.000 0.972 242 E CA -0.522 55.837 56.400 -0.068 0.000 0.804 242 E CB 1.461 31.114 29.700 -0.078 0.000 1.110 242 E HN -0.038 nan 8.360 nan 0.000 0.394 243 K N 0.140 120.521 120.400 -0.032 0.000 2.379 243 K HA 0.024 4.672 4.320 0.546 0.000 0.194 243 K C 0.490 177.086 176.600 -0.007 0.000 1.031 243 K CA 0.216 56.493 56.287 -0.017 0.000 1.037 243 K CB 0.364 32.855 32.500 -0.016 0.000 0.824 243 K HN 0.525 nan 8.250 nan 0.000 0.516 244 T N 0.678 115.226 114.554 -0.010 0.000 2.738 244 T HA 0.043 4.721 4.350 0.546 0.000 0.293 244 T C 0.768 175.483 174.700 0.024 0.000 0.913 244 T CA -0.469 61.636 62.100 0.009 0.000 1.103 244 T CB 0.646 69.519 68.868 0.008 0.000 0.880 244 T HN -0.011 nan 8.240 nan 0.000 0.526 245 Q N 2.488 122.310 119.800 0.038 0.000 2.297 245 Q HA 0.025 4.692 4.340 0.546 0.000 0.204 245 Q C 0.252 176.309 176.000 0.095 0.000 0.962 245 Q CA 0.925 56.763 55.803 0.058 0.000 0.879 245 Q CB -0.075 28.685 28.738 0.038 0.000 0.947 245 Q HN 0.778 nan 8.270 nan 0.000 0.462 246 E N 0.299 120.551 120.200 0.087 0.000 2.316 246 E HA 0.058 4.736 4.350 0.546 0.000 0.275 246 E C 0.640 177.332 176.600 0.153 0.000 1.029 246 E CA 0.064 56.528 56.400 0.106 0.000 0.871 246 E CB 0.491 30.251 29.700 0.101 0.000 1.022 246 E HN 0.219 nan 8.360 nan 0.000 0.418 247 H N 1.952 120.997 119.070 -0.041 0.000 2.353 247 H HA -0.031 4.852 4.556 0.545 0.000 0.300 247 H C -0.112 174.932 175.328 -0.473 0.000 1.090 247 H CA 0.601 56.517 56.048 -0.220 0.000 1.327 247 H CB 0.229 29.898 29.762 -0.156 0.000 1.383 247 H HN 0.356 nan 8.280 nan 0.000 0.508 248 F N 1.113 121.128 119.950 0.109 0.000 2.499 248 F HA 0.207 5.058 4.527 0.541 0.000 0.333 248 F C 0.063 175.929 175.800 0.109 0.000 1.138 248 F CA -0.865 57.148 58.000 0.021 0.000 0.945 248 F CB 1.654 40.401 39.000 -0.422 0.000 1.181 248 F HN -0.141 nan 8.300 nan 0.000 0.435 249 T N -0.815 113.967 114.554 0.379 0.000 2.918 249 T HA 0.410 5.087 4.350 0.546 0.000 0.286 249 T C -0.332 174.549 174.700 0.302 0.000 1.026 249 T CA -0.895 61.398 62.100 0.322 0.000 1.031 249 T CB 1.050 70.097 68.868 0.298 0.000 1.046 249 T HN 0.402 nan 8.240 nan 0.000 0.479 250 H N 2.512 121.736 119.070 0.257 0.000 2.964 250 H HA 0.072 4.952 4.556 0.542 0.000 0.328 250 H C 0.395 175.667 175.328 -0.093 0.000 1.030 250 H CA 0.263 56.305 56.048 -0.010 0.000 1.445 250 H CB 0.453 30.169 29.762 -0.077 0.000 1.449 250 H HN 0.557 nan 8.280 nan 0.000 0.581 251 N N 2.651 121.204 118.700 -0.246 0.000 2.555 251 N HA -0.041 5.027 4.740 0.546 0.000 0.244 251 N C 0.820 176.166 175.510 -0.273 0.000 1.114 251 N CA -0.077 52.564 53.050 -0.681 0.000 0.963 251 N CB 0.388 38.421 38.487 -0.757 0.000 1.276 251 N HN 0.622 nan 8.380 nan 0.000 0.510 252 T N -1.083 113.447 114.554 -0.041 0.000 3.055 252 T HA -0.028 4.649 4.350 0.546 0.000 0.265 252 T C 1.874 176.606 174.700 0.053 0.000 1.111 252 T CA 0.410 62.530 62.100 0.033 0.000 1.118 252 T CB 0.050 68.986 68.868 0.113 0.000 0.909 252 T HN 0.098 nan 8.240 nan 0.000 0.501 253 V N 1.922 121.897 119.914 0.102 0.000 2.270 253 V HA -0.093 4.355 4.120 0.546 0.000 0.245 253 V C 2.960 179.103 176.094 0.082 0.000 1.043 253 V CA 1.429 63.805 62.300 0.127 0.000 1.014 253 V CB -0.446 31.518 31.823 0.234 0.000 0.645 253 V HN 0.394 nan 8.190 nan 0.000 0.447 254 R N 0.115 120.640 120.500 0.041 0.000 2.153 254 R HA 0.082 4.750 4.340 0.546 0.000 0.218 254 R C 1.895 178.142 176.300 -0.088 0.000 1.072 254 R CA 0.982 57.135 56.100 0.087 0.000 0.990 254 R CB -0.774 29.651 30.300 0.208 0.000 0.889 254 R HN 0.657 nan 8.270 nan 0.000 0.452 255 G N 1.054 109.776 108.800 -0.131 0.000 2.143 255 G HA2 -0.301 3.986 3.960 0.546 0.000 0.249 255 G HA3 -0.301 3.986 3.960 0.546 0.000 0.249 255 G C 0.262 174.999 174.900 -0.271 0.000 0.981 255 G CA 0.288 45.283 45.100 -0.175 0.000 0.665 255 G HN 0.584 nan 8.290 nan 0.000 0.528 256 C N -3.025 116.081 119.300 -0.323 0.000 3.307 256 C HA 0.946 5.734 4.460 0.546 0.000 0.333 256 C C 0.658 175.470 174.990 -0.297 0.000 1.291 256 C CA 0.128 58.930 59.018 -0.360 0.000 1.273 256 C CB 1.297 28.706 27.740 -0.552 0.000 1.580 256 C HN 2.362 nan 8.230 nan 0.000 0.481 257 S N -0.003 115.525 115.700 -0.287 0.000 3.486 257 S HA -0.133 4.664 4.470 0.546 0.000 0.632 257 S C -0.858 173.404 174.600 -0.563 0.000 2.553 257 S CA 1.069 59.089 58.200 -0.301 0.000 2.974 257 S CB -1.367 61.856 63.200 0.038 0.000 0.320 257 S HN 1.723 nan 8.310 nan 0.000 1.613 258 Y N -0.746 119.583 120.300 0.050 0.000 2.581 258 Y HA 0.697 5.579 4.550 0.552 0.000 0.345 258 Y C -0.282 175.575 175.900 -0.071 0.000 1.036 258 Y CA -0.764 57.356 58.100 0.034 0.000 1.042 258 Y CB 1.000 39.630 38.460 0.284 0.000 1.289 258 Y HN 0.508 nan 8.280 nan 0.000 0.471 259 F N 1.768 121.892 119.950 0.290 0.000 2.404 259 F HA 0.386 5.242 4.527 0.548 0.000 0.339 259 F C -0.453 175.403 175.800 0.093 0.000 1.105 259 F CA -1.297 56.745 58.000 0.070 0.000 1.087 259 F CB 0.506 39.519 39.000 0.022 0.000 1.143 259 F HN 0.270 nan 8.300 nan 0.000 0.491 260 Y N -0.285 120.168 120.300 0.254 0.000 2.420 260 Y HA 0.733 5.610 4.550 0.545 0.000 0.334 260 Y C -0.046 175.866 175.900 0.020 0.000 1.094 260 Y CA -1.661 56.377 58.100 -0.103 0.000 1.126 260 Y CB 0.672 39.008 38.460 -0.206 0.000 1.217 260 Y HN 0.546 nan 8.280 nan 0.000 0.462 261 S N 1.764 117.448 115.700 -0.026 0.000 2.730 261 S HA 0.185 4.983 4.470 0.546 0.000 0.284 261 S C 0.544 175.034 174.600 -0.182 0.000 1.153 261 S CA -0.454 57.699 58.200 -0.079 0.000 0.995 261 S CB 0.661 63.756 63.200 -0.175 0.000 1.058 261 S HN 0.876 nan 8.310 nan 0.000 0.552 262 Y N 1.938 121.767 120.300 -0.786 0.000 2.181 262 Y HA 0.135 5.012 4.550 0.544 0.000 0.288 262 Y C -1.331 174.328 175.900 -0.402 0.000 1.146 262 Y CA 1.407 58.958 58.100 -0.916 0.000 1.164 262 Y CB -1.656 36.129 38.460 -1.126 0.000 0.982 262 Y HN 0.492 nan 8.280 nan 0.000 0.515 263 P HA -0.182 nan 4.420 nan 0.000 0.216 263 P C 1.514 178.409 177.300 -0.676 0.000 1.150 263 P CA 2.477 65.246 63.100 -0.552 0.000 0.837 263 P CB -0.324 31.143 31.700 -0.388 0.000 0.786 264 A N -0.622 121.701 122.820 -0.829 0.000 1.908 264 A HA -0.178 4.470 4.320 0.546 0.000 0.218 264 A C 2.351 179.796 177.584 -0.231 0.000 1.181 264 A CA 1.942 53.600 52.037 -0.632 0.000 0.627 264 A CB -1.702 16.857 19.000 -0.734 0.000 0.818 264 A HN 0.035 nan 8.150 nan 0.000 0.445 265 V N -0.945 118.872 119.914 -0.162 0.000 2.307 265 V HA -0.305 4.143 4.120 0.546 0.000 0.245 265 V C 2.677 178.762 176.094 -0.015 0.000 1.045 265 V CA 2.035 64.329 62.300 -0.011 0.000 1.024 265 V CB -1.030 30.906 31.823 0.189 0.000 0.651 265 V HN 0.716 nan 8.190 nan 0.000 0.449 266 C N -0.188 118.986 119.300 -0.210 0.000 2.413 266 C HA -0.179 4.609 4.460 0.546 0.000 0.276 266 C C 2.775 177.717 174.990 -0.079 0.000 1.248 266 C CA 1.481 60.375 59.018 -0.207 0.000 1.742 266 C CB -0.911 26.558 27.740 -0.452 0.000 2.017 266 C HN 0.728 nan 8.230 nan 0.000 0.481 267 E N -0.110 120.049 120.200 -0.068 0.000 2.077 267 E HA -0.252 4.426 4.350 0.546 0.000 0.193 267 E C 1.961 178.618 176.600 0.094 0.000 0.989 267 E CA 1.283 57.696 56.400 0.020 0.000 0.800 267 E CB -0.350 29.388 29.700 0.063 0.000 0.746 267 E HN 0.652 nan 8.360 nan 0.000 0.452 268 F N 1.178 121.127 119.950 -0.002 0.000 2.134 268 F HA -0.137 4.721 4.527 0.551 0.000 0.299 268 F C 1.902 177.728 175.800 0.043 0.000 1.097 268 F CA 1.317 59.340 58.000 0.040 0.000 1.264 268 F CB -0.055 38.959 39.000 0.024 0.000 1.001 268 F HN 0.008 nan 8.300 nan 0.000 0.479 269 L N 0.316 121.614 121.223 0.126 0.000 2.027 269 L HA -0.223 4.444 4.340 0.546 0.000 0.206 269 L C 2.773 179.597 176.870 -0.076 0.000 1.074 269 L CA 1.754 56.605 54.840 0.018 0.000 0.745 269 L CB -1.083 41.024 42.059 0.080 0.000 0.898 269 L HN 0.327 nan 8.230 nan 0.000 0.433 270 Q N -0.201 119.579 119.800 -0.033 0.000 2.079 270 Q HA -0.304 4.363 4.340 0.546 0.000 0.200 270 Q C 2.077 178.048 176.000 -0.048 0.000 0.974 270 Q CA 2.101 57.882 55.803 -0.037 0.000 0.840 270 Q CB -0.525 28.203 28.738 -0.015 0.000 0.898 270 Q HN 0.540 nan 8.270 nan 0.000 0.430 271 H N 0.832 119.810 119.070 -0.153 0.000 2.457 271 H HA 0.051 4.935 4.556 0.546 0.000 0.294 271 H C 0.971 176.158 175.328 -0.236 0.000 1.064 271 H CA 1.744 57.689 56.048 -0.172 0.000 1.330 271 H CB 0.242 29.906 29.762 -0.163 0.000 1.395 271 H HN 0.353 nan 8.280 nan 0.000 0.541 272 N N 0.220 118.709 118.700 -0.351 0.000 2.203 272 N HA -0.011 5.057 4.740 0.546 0.000 0.207 272 N C -0.572 174.771 175.510 -0.279 0.000 1.130 272 N CA 0.238 53.043 53.050 -0.409 0.000 0.861 272 N CB 0.459 38.592 38.487 -0.589 0.000 1.005 272 N HN 0.335 nan 8.380 nan 0.000 0.507 273 N N 0.973 119.541 118.700 -0.220 0.000 2.738 273 N HA -0.169 4.898 4.740 0.546 0.000 0.249 273 N C -0.772 174.634 175.510 -0.173 0.000 1.047 273 N CA 0.701 53.649 53.050 -0.169 0.000 0.707 273 N CB -1.490 36.901 38.487 -0.159 0.000 0.937 273 N HN 0.359 nan 8.380 nan 0.000 0.545 274 L N -0.371 120.753 121.223 -0.165 0.000 2.313 274 L HA 0.406 5.074 4.340 0.546 0.000 0.268 274 L C 1.552 178.316 176.870 -0.176 0.000 1.010 274 L CA -0.862 53.873 54.840 -0.175 0.000 0.814 274 L CB 1.062 43.062 42.059 -0.100 0.000 1.304 274 L HN -0.071 nan 8.230 nan 0.000 0.441 275 L N -0.224 120.811 121.223 -0.312 0.000 2.221 275 L HA 0.266 4.933 4.340 0.546 0.000 0.202 275 L C 0.564 177.414 176.870 -0.033 0.000 1.074 275 L CA 1.059 55.712 54.840 -0.313 0.000 0.795 275 L CB 0.497 42.096 42.059 -0.765 0.000 0.960 275 L HN 0.627 nan 8.230 nan 0.000 0.458 276 S N -1.754 113.987 115.700 0.068 0.000 2.567 276 S HA 0.499 5.297 4.470 0.546 0.000 0.270 276 S C -1.619 173.166 174.600 0.309 0.000 1.152 276 S CA -0.765 57.645 58.200 0.350 0.000 0.835 276 S CB 0.757 64.364 63.200 0.677 0.000 1.115 276 S HN -0.113 nan 8.310 nan 0.000 0.459 277 I N 3.701 124.406 120.570 0.226 0.000 2.321 277 I HA 0.409 4.906 4.170 0.546 0.000 0.291 277 I C -0.424 175.753 176.117 0.101 0.000 0.998 277 I CA -0.532 60.843 61.300 0.124 0.000 1.227 277 I CB 0.839 38.838 38.000 -0.002 0.000 1.368 277 I HN 0.547 nan 8.210 nan 0.000 0.466 278 L N 7.609 128.871 121.223 0.064 0.000 2.282 278 L HA 0.596 5.264 4.340 0.546 0.000 0.288 278 L C 0.070 176.938 176.870 -0.003 0.000 1.033 278 L CA -0.765 54.077 54.840 0.004 0.000 0.807 278 L CB 0.889 42.896 42.059 -0.086 0.000 1.209 278 L HN 0.661 nan 8.230 nan 0.000 0.423 279 R N 2.789 123.290 120.500 0.002 0.000 2.846 279 R HA 0.977 5.645 4.340 0.546 0.000 0.263 279 R C -0.944 175.348 176.300 -0.014 0.000 1.080 279 R CA -0.425 55.664 56.100 -0.019 0.000 0.961 279 R CB 1.331 31.619 30.300 -0.019 0.000 1.231 279 R HN 0.474 nan 8.270 nan 0.000 0.465 280 A N -1.092 121.676 122.820 -0.085 0.000 3.395 280 A HA 0.572 5.220 4.320 0.546 0.000 0.182 280 A C 0.052 177.596 177.584 -0.067 0.000 0.937 280 A CA 0.649 52.664 52.037 -0.036 0.000 1.147 280 A CB -0.565 18.429 19.000 -0.010 0.000 1.734 280 A HN 1.169 nan 8.150 nan 0.000 0.684 281 H N -0.910 118.003 119.070 -0.261 0.000 4.456 281 H HA -0.132 4.744 4.556 0.533 0.000 0.114 281 H C -0.279 175.019 175.328 -0.051 0.000 0.650 281 H CA 1.841 57.714 56.048 -0.291 0.000 1.225 281 H CB -1.040 28.344 29.762 -0.630 0.000 0.616 281 H HN 0.602 nan 8.280 nan 0.000 0.613 282 E N 0.329 120.462 120.200 -0.111 0.000 2.218 282 E HA 0.673 5.351 4.350 0.546 0.000 0.263 282 E C -0.275 175.997 176.600 -0.548 0.000 0.879 282 E CA -0.285 55.953 56.400 -0.270 0.000 0.762 282 E CB 1.832 31.420 29.700 -0.186 0.000 1.166 282 E HN 0.472 nan 8.360 nan 0.000 0.415 283 A N 3.566 125.804 122.820 -0.969 0.000 2.483 283 A HA 0.129 4.777 4.320 0.546 0.000 0.238 283 A C -0.193 176.864 177.584 -0.879 0.000 1.070 283 A CA 0.070 51.033 52.037 -1.789 0.000 0.770 283 A CB 0.401 18.574 19.000 -1.377 0.000 1.008 283 A HN 0.467 nan 8.150 nan 0.000 0.497 284 Q N 0.752 120.139 119.800 -0.688 0.000 2.305 284 Q HA 0.161 4.828 4.340 0.546 0.000 0.271 284 Q C -0.197 175.672 176.000 -0.218 0.000 1.046 284 Q CA -0.492 55.105 55.803 -0.343 0.000 0.798 284 Q CB 1.872 30.465 28.738 -0.243 0.000 1.286 284 Q HN 0.940 nan 8.270 nan 0.000 0.435 285 D N 2.370 122.654 120.400 -0.193 0.000 2.178 285 D HA -0.121 4.846 4.640 0.546 0.000 0.201 285 D C 1.208 177.460 176.300 -0.080 0.000 0.980 285 D CA 1.734 55.668 54.000 -0.110 0.000 0.842 285 D CB 0.522 41.258 40.800 -0.107 0.000 0.948 285 D HN 0.638 nan 8.370 nan 0.000 0.472 286 A N -1.326 121.407 122.820 -0.144 0.000 2.218 286 A HA 0.485 5.132 4.320 0.546 0.000 0.209 286 A C 1.905 179.494 177.584 0.007 0.000 1.168 286 A CA 0.957 52.926 52.037 -0.112 0.000 0.804 286 A CB -0.242 18.577 19.000 -0.303 0.000 0.834 286 A HN 0.426 nan 8.150 nan 0.000 0.482 287 G N -2.041 106.763 108.800 0.008 0.000 2.195 287 G HA2 -0.265 4.022 3.960 0.546 0.000 0.246 287 G HA3 -0.265 4.022 3.960 0.546 0.000 0.246 287 G C 0.080 175.116 174.900 0.226 0.000 0.984 287 G CA 0.833 46.015 45.100 0.136 0.000 0.633 287 G HN 1.816 nan 8.290 nan 0.000 0.525 288 Y N -1.888 118.402 120.300 -0.017 0.000 2.656 288 Y HA 0.837 5.715 4.550 0.546 0.000 0.334 288 Y C -0.803 175.046 175.900 -0.085 0.000 1.179 288 Y CA -1.621 56.465 58.100 -0.024 0.000 1.050 288 Y CB 0.790 39.238 38.460 -0.021 0.000 1.308 288 Y HN 0.343 nan 8.280 nan 0.000 0.456 289 R N 2.906 123.295 120.500 -0.185 0.000 2.564 289 R HA 0.665 5.332 4.340 0.546 0.000 0.284 289 R C -1.869 174.309 176.300 -0.203 0.000 1.031 289 R CA -0.799 55.055 56.100 -0.410 0.000 0.904 289 R CB 1.727 31.685 30.300 -0.569 0.000 1.199 289 R HN 0.959 nan 8.270 nan 0.000 0.443 290 M N 4.336 123.821 119.600 -0.192 0.000 2.268 290 M HA 0.358 5.166 4.480 0.546 0.000 0.344 290 M C -1.141 175.071 176.300 -0.148 0.000 1.106 290 M CA -0.619 54.652 55.300 -0.048 0.000 1.010 290 M CB 1.382 33.992 32.600 0.017 0.000 1.649 290 M HN 0.510 nan 8.290 nan 0.000 0.443 291 Y N 0.369 120.676 120.300 0.012 0.000 2.593 291 Y HA 0.480 5.355 4.550 0.542 0.000 0.330 291 Y C 0.615 176.590 175.900 0.126 0.000 1.223 291 Y CA -0.838 57.306 58.100 0.073 0.000 1.350 291 Y CB 0.461 38.949 38.460 0.046 0.000 1.499 291 Y HN 0.531 nan 8.280 nan 0.000 0.554 292 R N 1.700 122.406 120.500 0.342 0.000 2.566 292 R HA -0.036 4.632 4.340 0.546 0.000 0.273 292 R C -0.579 175.837 176.300 0.193 0.000 0.981 292 R CA -0.010 56.141 56.100 0.086 0.000 1.091 292 R CB 0.227 30.340 30.300 -0.312 0.000 0.924 292 R HN 0.598 nan 8.270 nan 0.000 0.411 293 K N 2.048 122.516 120.400 0.112 0.000 2.485 293 K HA -0.052 4.596 4.320 0.546 0.000 0.277 293 K C 0.228 177.019 176.600 0.318 0.000 0.990 293 K CA 0.244 56.634 56.287 0.172 0.000 0.994 293 K CB 0.775 33.334 32.500 0.098 0.000 0.906 293 K HN 0.510 nan 8.250 nan 0.000 0.488 294 S N 1.524 117.420 115.700 0.328 0.000 2.593 294 S HA -0.011 4.787 4.470 0.546 0.000 0.269 294 S C 0.987 175.712 174.600 0.208 0.000 1.334 294 S CA -0.522 57.851 58.200 0.289 0.000 1.015 294 S CB 0.831 64.157 63.200 0.211 0.000 0.912 294 S HN 0.475 nan 8.310 nan 0.000 0.541 295 Q N 2.049 121.937 119.800 0.147 0.000 2.049 295 Q HA -0.032 4.636 4.340 0.546 0.000 0.198 295 Q C 2.320 178.361 176.000 0.068 0.000 0.971 295 Q CA 1.886 57.750 55.803 0.101 0.000 0.833 295 Q CB -1.340 27.436 28.738 0.064 0.000 0.896 295 Q HN 0.858 nan 8.270 nan 0.000 0.434 296 T N 0.567 115.148 114.554 0.046 0.000 2.759 296 T HA -0.117 4.560 4.350 0.546 0.000 0.269 296 T C 1.823 176.550 174.700 0.046 0.000 1.042 296 T CA 2.021 64.140 62.100 0.031 0.000 1.140 296 T CB -0.205 68.668 68.868 0.008 0.000 0.864 296 T HN 0.566 nan 8.240 nan 0.000 0.455 297 T N -2.571 112.031 114.554 0.080 0.000 2.958 297 T HA 0.455 5.132 4.350 0.546 0.000 0.256 297 T C 1.773 176.562 174.700 0.148 0.000 0.983 297 T CA 0.916 63.074 62.100 0.098 0.000 0.924 297 T CB 0.251 69.176 68.868 0.095 0.000 1.136 297 T HN 0.487 nan 8.240 nan 0.000 0.506 298 G N 1.205 110.101 108.800 0.160 0.000 2.184 298 G HA2 -0.240 4.048 3.960 0.546 0.000 0.264 298 G HA3 -0.240 4.048 3.960 0.546 0.000 0.264 298 G C -0.132 174.886 174.900 0.197 0.000 0.975 298 G CA 0.304 45.497 45.100 0.155 0.000 0.642 298 G HN 0.714 nan 8.290 nan 0.000 0.536 299 F N 1.822 121.834 119.950 0.104 0.000 2.397 299 F HA 0.638 5.492 4.527 0.545 0.000 0.331 299 F C -1.886 174.012 175.800 0.164 0.000 1.090 299 F CA -2.545 55.531 58.000 0.126 0.000 1.065 299 F CB 1.390 40.464 39.000 0.123 0.000 1.184 299 F HN -0.118 nan 8.300 nan 0.000 0.499 300 P HA -0.054 nan 4.420 nan 0.000 0.261 300 P C 0.133 177.628 177.300 0.325 0.000 1.173 300 P CA 0.574 63.677 63.100 0.005 0.000 0.760 300 P CB 0.571 32.175 31.700 -0.160 0.000 0.783 301 S N 3.285 119.219 115.700 0.389 0.000 2.423 301 S HA -0.031 4.767 4.470 0.546 0.000 0.231 301 S C 0.557 175.358 174.600 0.334 0.000 1.014 301 S CA 0.621 59.065 58.200 0.407 0.000 0.965 301 S CB -0.348 63.165 63.200 0.522 0.000 0.785 301 S HN 0.384 nan 8.310 nan 0.000 0.495 302 L N -0.032 121.365 121.223 0.289 0.000 2.445 302 L HA 0.686 5.354 4.340 0.546 0.000 0.262 302 L C -1.774 175.248 176.870 0.253 0.000 0.974 302 L CA -0.784 54.124 54.840 0.114 0.000 0.822 302 L CB 2.095 43.943 42.059 -0.351 0.000 1.339 302 L HN 0.198 nan 8.230 nan 0.000 0.409 303 I N 2.598 123.288 120.570 0.200 0.000 2.533 303 I HA 0.403 4.900 4.170 0.546 0.000 0.290 303 I C -0.655 175.584 176.117 0.203 0.000 1.056 303 I CA -0.453 60.994 61.300 0.245 0.000 1.057 303 I CB 2.425 40.516 38.000 0.152 0.000 1.240 303 I HN 0.505 nan 8.210 nan 0.000 0.423 304 T N 6.462 121.187 114.554 0.285 0.000 2.767 304 T HA 0.544 5.222 4.350 0.546 0.000 0.284 304 T C -0.561 174.232 174.700 0.155 0.000 0.973 304 T CA -0.210 62.003 62.100 0.189 0.000 0.996 304 T CB 1.298 70.295 68.868 0.215 0.000 0.927 304 T HN 0.278 nan 8.240 nan 0.000 0.456 305 I N 3.557 124.202 120.570 0.125 0.000 2.433 305 I HA 0.701 5.199 4.170 0.546 0.000 0.292 305 I C -1.664 174.554 176.117 0.169 0.000 1.001 305 I CA -1.110 60.270 61.300 0.134 0.000 1.119 305 I CB 1.058 39.093 38.000 0.058 0.000 1.289 305 I HN 0.582 nan 8.210 nan 0.000 0.438 306 F N 5.776 125.718 119.950 -0.014 0.000 2.579 306 F HA 0.455 5.300 4.527 0.530 0.000 0.325 306 F C -0.047 175.713 175.800 -0.066 0.000 1.162 306 F CA -0.189 57.773 58.000 -0.063 0.000 0.946 306 F CB 2.050 40.981 39.000 -0.114 0.000 1.211 306 F HN 0.422 nan 8.300 nan 0.000 0.447 307 S N 4.070 119.476 115.700 -0.489 0.000 2.602 307 S HA 0.461 5.259 4.470 0.546 0.000 0.240 307 S C 0.123 174.550 174.600 -0.288 0.000 0.992 307 S CA 0.050 58.099 58.200 -0.253 0.000 0.971 307 S CB 0.333 63.512 63.200 -0.035 0.000 0.855 307 S HN 0.648 nan 8.310 nan 0.000 0.481 308 A N 3.776 126.266 122.820 -0.550 0.000 2.394 308 A HA 0.638 5.286 4.320 0.546 0.000 0.333 308 A C -2.810 174.768 177.584 -0.010 0.000 1.397 308 A CA -1.841 50.057 52.037 -0.233 0.000 0.884 308 A CB 0.557 19.399 19.000 -0.263 0.000 1.147 308 A HN 0.104 nan 8.150 nan 0.000 0.505 309 P HA 0.113 nan 4.420 nan 0.000 0.277 309 P C 0.028 177.436 177.300 0.180 0.000 1.240 309 P CA -0.176 62.934 63.100 0.017 0.000 0.798 309 P CB 0.482 32.118 31.700 -0.107 0.000 0.979 310 N N 0.316 119.133 118.700 0.196 0.000 2.699 310 N HA -0.271 4.796 4.740 0.546 0.000 0.256 310 N C -0.840 174.848 175.510 0.298 0.000 0.993 310 N CA 0.411 53.596 53.050 0.225 0.000 0.759 310 N CB -1.987 36.601 38.487 0.168 0.000 0.906 310 N HN 0.398 nan 8.380 nan 0.000 0.541 311 Y N 1.479 121.932 120.300 0.254 0.000 2.810 311 Y HA 0.068 4.926 4.550 0.513 0.000 0.332 311 Y C 1.473 177.462 175.900 0.148 0.000 1.243 311 Y CA 0.996 59.272 58.100 0.293 0.000 1.537 311 Y CB 0.139 38.905 38.460 0.510 0.000 1.265 311 Y HN 0.318 nan 8.280 nan 0.000 0.572 312 L N 5.000 126.090 121.223 -0.222 0.000 4.232 312 L HA -0.421 4.246 4.340 0.546 0.000 0.415 312 L C 0.411 177.182 176.870 -0.165 0.000 1.168 312 L CA 0.869 55.507 54.840 -0.337 0.000 0.966 312 L CB -1.463 40.232 42.059 -0.608 0.000 2.052 312 L HN 0.782 nan 8.230 nan 0.000 0.887 313 D N -1.950 118.450 120.400 -0.001 0.000 3.059 313 D HA -0.215 4.752 4.640 0.546 0.000 0.213 313 D C 1.130 177.409 176.300 -0.035 0.000 1.144 313 D CA 1.449 55.488 54.000 0.065 0.000 0.975 313 D CB -1.123 39.759 40.800 0.137 0.000 1.125 313 D HN 0.657 nan 8.370 nan 0.000 0.412 314 V N -4.444 115.358 119.914 -0.186 0.000 3.408 314 V HA 0.188 4.636 4.120 0.546 0.000 0.263 314 V C 1.787 177.783 176.094 -0.164 0.000 1.503 314 V CA 0.045 62.212 62.300 -0.221 0.000 1.046 314 V CB -0.521 31.093 31.823 -0.348 0.000 0.851 314 V HN 0.176 nan 8.190 nan 0.000 0.435 315 Y N 1.486 121.833 120.300 0.077 0.000 2.439 315 Y HA 0.118 4.989 4.550 0.534 0.000 0.292 315 Y C 1.701 177.645 175.900 0.074 0.000 1.130 315 Y CA 0.956 59.106 58.100 0.084 0.000 1.254 315 Y CB -0.170 38.373 38.460 0.138 0.000 1.000 315 Y HN 0.478 nan 8.280 nan 0.000 0.554 316 N N 0.455 119.279 118.700 0.207 0.000 2.741 316 N HA -0.212 4.856 4.740 0.546 0.000 0.251 316 N C -0.922 174.664 175.510 0.128 0.000 1.112 316 N CA 0.646 53.781 53.050 0.141 0.000 0.750 316 N CB -1.112 37.438 38.487 0.105 0.000 1.119 316 N HN 0.468 nan 8.380 nan 0.000 0.561 317 N N 0.470 119.269 118.700 0.165 0.000 2.483 317 N HA 0.167 5.234 4.740 0.546 0.000 0.269 317 N C -0.139 175.414 175.510 0.070 0.000 1.209 317 N CA -0.053 53.061 53.050 0.106 0.000 0.969 317 N CB 0.998 39.562 38.487 0.128 0.000 1.173 317 N HN 0.127 nan 8.380 nan 0.000 0.475 318 K N -0.032 120.382 120.400 0.024 0.000 2.138 318 K HA 0.486 5.133 4.320 0.546 0.000 0.251 318 K C -0.145 176.402 176.600 -0.088 0.000 1.015 318 K CA -0.623 55.642 56.287 -0.038 0.000 0.917 318 K CB 0.829 33.323 32.500 -0.010 0.000 1.021 318 K HN 0.744 nan 8.250 nan 0.000 0.485 319 A N 0.504 123.119 122.820 -0.342 0.000 2.313 319 A HA 0.856 5.504 4.320 0.546 0.000 0.323 319 A C -1.227 176.138 177.584 -0.365 0.000 1.133 319 A CA -0.553 51.206 52.037 -0.462 0.000 0.847 319 A CB 1.509 19.889 19.000 -1.033 0.000 1.308 319 A HN 0.679 nan 8.150 nan 0.000 0.475 320 A N -0.593 122.152 122.820 -0.124 0.000 2.594 320 A HA 0.716 5.364 4.320 0.546 0.000 0.295 320 A C -0.565 177.101 177.584 0.136 0.000 1.071 320 A CA 0.094 52.176 52.037 0.075 0.000 0.685 320 A CB 0.982 20.055 19.000 0.123 0.000 1.285 320 A HN 2.255 nan 8.150 nan 0.000 0.405 321 V N -1.061 118.936 119.914 0.139 0.000 3.046 321 V HA 0.917 5.364 4.120 0.546 0.000 0.316 321 V C -0.972 175.098 176.094 -0.041 0.000 1.104 321 V CA -0.951 61.368 62.300 0.030 0.000 1.006 321 V CB 1.688 33.517 31.823 0.010 0.000 1.058 321 V HN 1.054 nan 8.190 nan 0.000 0.440 322 L N 2.352 123.527 121.223 -0.080 0.000 2.316 322 L HA 0.577 5.244 4.340 0.546 0.000 0.280 322 L C -0.068 176.749 176.870 -0.088 0.000 1.006 322 L CA -0.198 54.586 54.840 -0.094 0.000 0.836 322 L CB 1.144 43.138 42.059 -0.107 0.000 1.221 322 L HN 0.762 nan 8.230 nan 0.000 0.418 323 K N 4.784 125.143 120.400 -0.068 0.000 2.248 323 K HA 0.303 4.951 4.320 0.546 0.000 0.281 323 K C -1.550 175.062 176.600 0.020 0.000 1.054 323 K CA -0.522 55.730 56.287 -0.059 0.000 0.903 323 K CB 1.310 33.763 32.500 -0.078 0.000 1.077 323 K HN 0.423 nan 8.250 nan 0.000 0.474 324 Y N 2.146 122.382 120.300 -0.107 0.000 2.350 324 Y HA 0.280 5.158 4.550 0.547 0.000 0.338 324 Y C -0.817 175.061 175.900 -0.037 0.000 0.961 324 Y CA -0.784 57.274 58.100 -0.070 0.000 1.100 324 Y CB 1.543 39.943 38.460 -0.101 0.000 1.179 324 Y HN 0.567 nan 8.280 nan 0.000 0.454 325 E N 3.093 122.893 120.200 -0.667 0.000 2.277 325 E HA 0.231 4.908 4.350 0.546 0.000 0.266 325 E C -0.951 175.125 176.600 -0.874 0.000 0.901 325 E CA -1.048 55.028 56.400 -0.540 0.000 0.782 325 E CB 1.117 30.658 29.700 -0.265 0.000 1.228 325 E HN 0.664 nan 8.360 nan 0.000 0.424 326 N N 2.526 120.927 118.700 -0.499 0.000 2.276 326 N HA -0.203 4.865 4.740 0.546 0.000 0.279 326 N C -0.357 174.998 175.510 -0.257 0.000 1.379 326 N CA 0.683 53.533 53.050 -0.334 0.000 0.886 326 N CB -0.070 38.350 38.487 -0.113 0.000 1.199 326 N HN 0.637 nan 8.380 nan 0.000 0.493 327 N N 1.317 119.928 118.700 -0.148 0.000 2.909 327 N HA -0.190 4.877 4.740 0.546 0.000 0.242 327 N C -1.667 173.887 175.510 0.073 0.000 0.975 327 N CA 0.984 54.087 53.050 0.088 0.000 0.921 327 N CB -0.496 38.019 38.487 0.048 0.000 1.112 327 N HN 0.234 nan 8.380 nan 0.000 0.581 328 V N 1.383 121.236 119.914 -0.102 0.000 2.443 328 V HA 0.431 4.879 4.120 0.546 0.000 0.293 328 V C 0.037 176.164 176.094 0.055 0.000 1.021 328 V CA -0.412 61.888 62.300 0.001 0.000 0.848 328 V CB 1.581 33.368 31.823 -0.060 0.000 0.998 328 V HN 0.235 nan 8.190 nan 0.000 0.424 329 M N 5.457 125.191 119.600 0.224 0.000 2.180 329 M HA 0.471 5.278 4.480 0.546 0.000 0.350 329 M C -0.437 175.902 176.300 0.065 0.000 1.125 329 M CA -0.036 55.398 55.300 0.222 0.000 1.031 329 M CB 0.658 33.429 32.600 0.285 0.000 1.623 329 M HN 0.760 nan 8.290 nan 0.000 0.451 330 N N 5.912 124.617 118.700 0.008 0.000 2.442 330 N HA 0.399 5.466 4.740 0.546 0.000 0.274 330 N C -1.689 173.770 175.510 -0.085 0.000 1.002 330 N CA -0.550 52.475 53.050 -0.042 0.000 0.910 330 N CB 1.205 39.669 38.487 -0.037 0.000 1.244 330 N HN 0.705 nan 8.380 nan 0.000 0.492 331 I N 3.491 123.968 120.570 -0.154 0.000 2.325 331 I HA 0.262 4.759 4.170 0.546 0.000 0.291 331 I C 0.315 176.337 176.117 -0.158 0.000 1.019 331 I CA -0.397 60.758 61.300 -0.242 0.000 1.302 331 I CB 0.783 38.440 38.000 -0.572 0.000 1.401 331 I HN 0.320 nan 8.210 nan 0.000 0.485 332 R N 6.529 126.987 120.500 -0.071 0.000 2.310 332 R HA 0.399 5.066 4.340 0.546 0.000 0.324 332 R C -0.806 175.557 176.300 0.105 0.000 0.955 332 R CA -0.733 55.374 56.100 0.012 0.000 0.830 332 R CB 1.609 31.923 30.300 0.024 0.000 1.154 332 R HN 0.603 nan 8.270 nan 0.000 0.458 333 Q N 2.536 122.401 119.800 0.109 0.000 2.260 333 Q HA 0.440 5.107 4.340 0.546 0.000 0.242 333 Q C -0.598 175.559 176.000 0.261 0.000 0.932 333 Q CA -0.315 55.574 55.803 0.144 0.000 0.891 333 Q CB 1.157 29.954 28.738 0.099 0.000 1.222 333 Q HN 0.464 nan 8.270 nan 0.000 0.453 334 F N -1.612 118.369 119.950 0.051 0.000 2.662 334 F HA 0.608 5.463 4.527 0.547 0.000 0.312 334 F C -1.016 174.825 175.800 0.068 0.000 1.113 334 F CA -1.290 56.740 58.000 0.050 0.000 0.951 334 F CB 1.225 40.247 39.000 0.037 0.000 1.344 334 F HN 0.263 nan 8.300 nan 0.000 0.462 335 N N 0.318 119.137 118.700 0.199 0.000 2.483 335 N HA 0.482 5.549 4.740 0.546 0.000 0.285 335 N C -0.690 174.929 175.510 0.182 0.000 1.210 335 N CA -0.330 52.787 53.050 0.111 0.000 0.931 335 N CB 1.690 40.243 38.487 0.111 0.000 1.220 335 N HN 1.044 nan 8.380 nan 0.000 0.542 336 C N -0.868 118.517 119.300 0.142 0.000 2.639 336 C HA 0.710 5.497 4.460 0.546 0.000 0.360 336 C C 0.653 175.754 174.990 0.185 0.000 1.351 336 C CA -0.542 58.588 59.018 0.187 0.000 2.408 336 C CB -0.137 27.710 27.740 0.178 0.000 2.517 336 C HN 0.512 nan 8.230 nan 0.000 0.696 337 S N 1.462 117.287 115.700 0.208 0.000 2.634 337 S HA 0.762 5.559 4.470 0.546 0.000 0.296 337 S C -2.665 172.018 174.600 0.138 0.000 1.104 337 S CA -0.429 57.870 58.200 0.164 0.000 0.920 337 S CB 1.627 64.941 63.200 0.191 0.000 1.111 337 S HN 0.879 nan 8.310 nan 0.000 0.493 338 P HA 0.351 nan 4.420 nan 0.000 0.272 338 P C -1.239 175.951 177.300 -0.183 0.000 1.223 338 P CA -0.032 63.013 63.100 -0.092 0.000 0.784 338 P CB 0.184 31.818 31.700 -0.111 0.000 0.923 339 H N -1.063 117.874 119.070 -0.220 0.000 2.980 339 H HA 0.716 5.601 4.556 0.548 0.000 0.367 339 H C -2.763 172.413 175.328 -0.253 0.000 1.206 339 H CA -2.369 53.371 56.048 -0.512 0.000 1.126 339 H CB -0.470 29.218 29.762 -0.123 0.000 1.838 339 H HN 0.137 nan 8.280 nan 0.000 0.552 340 P HA 0.080 nan 4.420 nan 0.000 0.272 340 P C -1.164 176.327 177.300 0.319 0.000 1.240 340 P CA -0.355 62.781 63.100 0.059 0.000 0.791 340 P CB 0.407 32.139 31.700 0.054 0.000 0.978 341 Y N 0.198 120.477 120.300 -0.036 0.000 2.310 341 Y HA 0.447 5.327 4.550 0.549 0.000 0.326 341 Y C -0.769 174.969 175.900 -0.270 0.000 1.151 341 Y CA 0.093 58.133 58.100 -0.100 0.000 1.195 341 Y CB 0.716 39.066 38.460 -0.184 0.000 1.210 341 Y HN 0.390 nan 8.280 nan 0.000 0.483 342 W N 6.393 127.120 121.300 -0.955 0.000 2.915 342 W HA 0.550 5.541 4.660 0.552 0.000 0.337 342 W C -1.347 174.410 176.519 -1.269 0.000 1.102 342 W CA -0.785 55.989 57.345 -0.950 0.000 1.224 342 W CB 1.432 30.211 29.460 -1.135 0.000 1.416 342 W HN 0.335 nan 8.180 nan 0.000 0.503 343 L N 4.728 125.646 121.223 -0.510 0.000 2.464 343 L HA 0.269 4.937 4.340 0.546 0.000 0.264 343 L C -1.683 174.869 176.870 -0.530 0.000 1.199 343 L CA -1.659 52.831 54.840 -0.582 0.000 0.818 343 L CB 0.052 41.757 42.059 -0.591 0.000 1.102 343 L HN 0.023 nan 8.230 nan 0.000 0.473 344 P HA -0.034 nan 4.420 nan 0.000 0.268 344 P C -0.117 177.090 177.300 -0.155 0.000 1.208 344 P CA 0.168 63.159 63.100 -0.182 0.000 0.777 344 P CB 0.245 31.898 31.700 -0.077 0.000 0.875 345 N N 1.228 119.854 118.700 -0.125 0.000 2.708 345 N HA -0.242 4.825 4.740 0.546 0.000 0.249 345 N C -0.533 174.970 175.510 -0.011 0.000 1.097 345 N CA 0.643 53.653 53.050 -0.066 0.000 0.710 345 N CB -1.871 36.614 38.487 -0.003 0.000 1.032 345 N HN 0.405 nan 8.380 nan 0.000 0.551 346 F N -4.028 115.878 119.950 -0.074 0.000 3.084 346 F HA -0.331 4.520 4.527 0.540 0.000 0.286 346 F C 1.146 176.980 175.800 0.056 0.000 0.855 346 F CA 1.064 58.944 58.000 -0.201 0.000 1.091 346 F CB -2.056 36.650 39.000 -0.489 0.000 1.177 346 F HN 0.324 nan 8.300 nan 0.000 0.542 347 M N 2.054 121.717 119.600 0.105 0.000 2.245 347 M HA 0.120 4.928 4.480 0.546 0.000 0.344 347 M C 0.763 177.142 176.300 0.131 0.000 1.170 347 M CA 0.281 55.647 55.300 0.110 0.000 1.135 347 M CB 0.411 33.031 32.600 0.033 0.000 1.574 347 M HN 0.288 nan 8.290 nan 0.000 0.452 348 D N 3.060 123.548 120.400 0.148 0.000 2.388 348 D HA 0.117 5.085 4.640 0.546 0.000 0.254 348 D C 0.963 177.306 176.300 0.071 0.000 1.111 348 D CA -0.462 53.592 54.000 0.089 0.000 0.993 348 D CB 1.020 41.894 40.800 0.124 0.000 1.118 348 D HN 0.550 nan 8.370 nan 0.000 0.502 349 V N -1.985 117.896 119.914 -0.056 0.000 2.809 349 V HA -0.134 4.314 4.120 0.546 0.000 0.256 349 V C 1.897 178.043 176.094 0.086 0.000 1.080 349 V CA 0.875 63.189 62.300 0.023 0.000 1.102 349 V CB -1.150 30.615 31.823 -0.096 0.000 0.705 349 V HN 0.426 nan 8.190 nan 0.000 0.475 350 F N 1.967 122.014 119.950 0.161 0.000 2.084 350 F HA -0.020 4.834 4.527 0.546 0.000 0.296 350 F C 2.776 178.664 175.800 0.147 0.000 1.111 350 F CA 1.864 59.943 58.000 0.132 0.000 1.224 350 F CB -1.670 37.386 39.000 0.092 0.000 0.991 350 F HN 0.079 nan 8.300 nan 0.000 0.471 351 T N -0.835 113.925 114.554 0.343 0.000 2.699 351 T HA -0.279 4.398 4.350 0.546 0.000 0.268 351 T C 1.625 176.499 174.700 0.290 0.000 1.036 351 T CA 1.704 63.959 62.100 0.258 0.000 1.147 351 T CB -0.651 68.347 68.868 0.215 0.000 0.862 351 T HN 0.448 nan 8.240 nan 0.000 0.446 352 W N 2.042 123.393 121.300 0.084 0.000 2.409 352 W HA -0.075 4.912 4.660 0.546 0.000 0.299 352 W C 2.703 179.261 176.519 0.065 0.000 1.203 352 W CA 1.280 58.656 57.345 0.053 0.000 1.298 352 W CB -0.479 28.991 29.460 0.016 0.000 1.127 352 W HN 0.322 nan 8.180 nan 0.000 0.528 353 S N -1.194 114.584 115.700 0.129 0.000 2.497 353 S HA -0.043 4.754 4.470 0.546 0.000 0.221 353 S C 1.758 176.423 174.600 0.108 0.000 1.037 353 S CA 0.594 58.775 58.200 -0.032 0.000 0.920 353 S CB -0.752 62.454 63.200 0.010 0.000 0.800 353 S HN 0.109 nan 8.310 nan 0.000 0.505 354 L N 3.089 124.408 121.223 0.161 0.000 2.042 354 L HA 0.140 4.808 4.340 0.546 0.000 0.210 354 L C -1.142 175.786 176.870 0.096 0.000 1.076 354 L CA 1.700 56.625 54.840 0.141 0.000 0.749 354 L CB -1.314 40.831 42.059 0.144 0.000 0.893 354 L HN 0.162 nan 8.230 nan 0.000 0.432 355 P HA -0.230 nan 4.420 nan 0.000 0.215 355 P C 1.696 179.035 177.300 0.065 0.000 1.153 355 P CA 1.563 64.702 63.100 0.065 0.000 0.853 355 P CB -0.233 31.507 31.700 0.067 0.000 0.788 356 F N -0.043 119.864 119.950 -0.072 0.000 2.146 356 F HA -0.162 4.693 4.527 0.546 0.000 0.298 356 F C 1.931 177.693 175.800 -0.063 0.000 1.096 356 F CA 1.170 59.115 58.000 -0.092 0.000 1.275 356 F CB -0.776 38.125 39.000 -0.165 0.000 1.008 356 F HN -0.312 nan 8.300 nan 0.000 0.480 357 V N 0.754 120.718 119.914 0.083 0.000 2.233 357 V HA -0.281 4.166 4.120 0.546 0.000 0.247 357 V C 2.824 178.860 176.094 -0.097 0.000 1.050 357 V CA 2.155 64.452 62.300 -0.005 0.000 1.010 357 V CB -1.703 30.171 31.823 0.085 0.000 0.637 357 V HN 0.541 nan 8.190 nan 0.000 0.444 358 G N 0.601 109.373 108.800 -0.047 0.000 2.469 358 G HA2 -0.325 3.962 3.960 0.546 0.000 0.219 358 G HA3 -0.325 3.962 3.960 0.546 0.000 0.219 358 G C 1.391 176.234 174.900 -0.095 0.000 1.150 358 G CA 1.362 46.431 45.100 -0.052 0.000 0.763 358 G HN 0.755 nan 8.290 nan 0.000 0.561 359 E N -0.019 120.097 120.200 -0.141 0.000 2.170 359 E HA 0.108 4.785 4.350 0.546 0.000 0.191 359 E C 2.216 178.681 176.600 -0.226 0.000 0.981 359 E CA 0.635 56.941 56.400 -0.157 0.000 0.830 359 E CB -0.125 29.495 29.700 -0.133 0.000 0.775 359 E HN 0.139 nan 8.360 nan 0.000 0.470 360 K N 0.984 121.163 120.400 -0.370 0.000 2.097 360 K HA -0.062 4.586 4.320 0.546 0.000 0.205 360 K C 2.344 178.819 176.600 -0.209 0.000 1.050 360 K CA 1.503 57.560 56.287 -0.384 0.000 0.938 360 K CB -0.311 31.801 32.500 -0.646 0.000 0.718 360 K HN 0.341 nan 8.250 nan 0.000 0.442 361 V N -0.933 118.885 119.914 -0.159 0.000 2.270 361 V HA -0.173 4.274 4.120 0.546 0.000 0.245 361 V C 2.065 178.112 176.094 -0.080 0.000 1.043 361 V CA 2.079 64.322 62.300 -0.094 0.000 1.014 361 V CB -1.524 30.262 31.823 -0.063 0.000 0.645 361 V HN 0.089 nan 8.190 nan 0.000 0.447 362 T N 0.399 114.905 114.554 -0.081 0.000 2.737 362 T HA -0.227 4.450 4.350 0.546 0.000 0.269 362 T C 1.826 176.487 174.700 -0.065 0.000 1.040 362 T CA 2.338 64.400 62.100 -0.064 0.000 1.142 362 T CB -0.412 68.420 68.868 -0.060 0.000 0.861 362 T HN 0.713 nan 8.240 nan 0.000 0.456 363 E N 0.385 120.534 120.200 -0.085 0.000 2.107 363 E HA -0.003 4.674 4.350 0.546 0.000 0.191 363 E C 2.172 178.734 176.600 -0.063 0.000 0.982 363 E CA 0.617 56.972 56.400 -0.075 0.000 0.809 363 E CB -0.230 29.413 29.700 -0.095 0.000 0.756 363 E HN 0.465 nan 8.360 nan 0.000 0.459 364 M N 0.966 120.525 119.600 -0.068 0.000 2.088 364 M HA -0.253 4.554 4.480 0.546 0.000 0.256 364 M C 2.044 178.321 176.300 -0.038 0.000 1.071 364 M CA 1.688 56.958 55.300 -0.050 0.000 1.097 364 M CB -0.075 32.496 32.600 -0.049 0.000 1.315 364 M HN 0.107 nan 8.290 nan 0.000 0.406 365 L N -0.587 120.613 121.223 -0.038 0.000 2.083 365 L HA -0.188 4.480 4.340 0.546 0.000 0.209 365 L C 2.395 179.249 176.870 -0.027 0.000 1.083 365 L CA 0.914 55.736 54.840 -0.030 0.000 0.752 365 L CB -0.718 41.323 42.059 -0.029 0.000 0.899 365 L HN 0.254 nan 8.230 nan 0.000 0.433 366 V N 0.152 120.048 119.914 -0.030 0.000 2.295 366 V HA -0.286 4.161 4.120 0.546 0.000 0.246 366 V C 2.273 178.353 176.094 -0.023 0.000 1.049 366 V CA 1.819 64.103 62.300 -0.026 0.000 1.024 366 V CB -0.631 31.174 31.823 -0.029 0.000 0.648 366 V HN 0.502 nan 8.190 nan 0.000 0.447 367 N N 0.049 118.734 118.700 -0.026 0.000 2.120 367 N HA -0.127 4.941 4.740 0.546 0.000 0.188 367 N C 1.816 177.316 175.510 -0.018 0.000 1.024 367 N CA 1.376 54.413 53.050 -0.022 0.000 0.852 367 N CB -0.418 38.055 38.487 -0.024 0.000 1.003 367 N HN 0.334 nan 8.380 nan 0.000 0.424 368 V N 1.778 121.680 119.914 -0.019 0.000 2.407 368 V HA -0.139 4.308 4.120 0.546 0.000 0.248 368 V C 2.171 178.257 176.094 -0.014 0.000 1.055 368 V CA 1.147 63.438 62.300 -0.016 0.000 1.049 368 V CB -0.272 31.542 31.823 -0.016 0.000 0.662 368 V HN 0.294 nan 8.190 nan 0.000 0.455 369 L N -0.718 120.496 121.223 -0.015 0.000 2.558 369 L HA 0.101 4.769 4.340 0.546 0.000 0.225 369 L C 0.844 177.707 176.870 -0.012 0.000 1.128 369 L CA 0.519 55.351 54.840 -0.013 0.000 0.868 369 L CB -0.453 41.598 42.059 -0.013 0.000 1.006 369 L HN 0.468 nan 8.230 nan 0.000 0.454 370 N N 0.000 118.693 118.700 -0.012 0.000 1.763 370 N HA 0.000 5.068 4.740 0.546 0.000 0.220 370 N CA 0.000 53.044 53.050 -0.011 0.000 0.885 370 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 370 N HN 0.000 nan 8.380 nan 0.000 0.667