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 1v47_1_B DATA FIRST_RESID 4 DATA SEQUENCE TLPALEIGED ERLDLENLAT GAFFPVKGFM TREEALSVAH EMRLPTGEVW DATA SEQUENCE TIPILLQFRE KPRVGPGNTV ALLHGGERVA LLHVAEAYEL DLEALARAVF DATA SEQUENCE GTDSETHPGV ARLYGKGPYA LAGRVEVLKP RPRTPLEKTP EEVRAFFRQR DATA SEQUENCE GWRKVVAFQT RNAPHRAHEY LIRLGLELAD GVLVHPILGA KKPDDFPTEV DATA SEQUENCE IVEAYQALIR DFLPQERVAF FGLATPMRYA GPKEAVFHAL VRKNFGATHF DATA SEQUENCE LVGRDHAGVG DFYDPYAAHR IFDRLPPLGI EIVKVGAVFH CPLCGGIASE DATA SEQUENCE RTCPEGHREK RTAISMTKVR ALLXEGKAPP SELVRPELLP ILRR 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.690 174.700 -0.017 0.000 1.109 4 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 4 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 5 L N 1.756 122.969 121.223 -0.017 0.000 2.482 5 L HA 0.360 4.700 4.340 -0.000 0.000 0.273 5 L C -1.751 175.104 176.870 -0.025 0.000 1.228 5 L CA -1.537 53.289 54.840 -0.024 0.000 0.827 5 L CB -0.049 41.997 42.059 -0.022 0.000 1.099 5 L HN 0.557 nan 8.230 nan 0.000 0.494 6 P HA 0.090 nan 4.420 nan 0.000 0.265 6 P C -1.197 176.084 177.300 -0.030 0.000 1.193 6 P CA 0.003 63.078 63.100 -0.042 0.000 0.765 6 P CB 0.677 32.340 31.700 -0.061 0.000 0.823 7 A N 3.828 126.632 122.820 -0.026 0.000 2.318 7 A HA 0.702 5.022 4.320 -0.000 0.000 0.324 7 A C -0.931 176.650 177.584 -0.006 0.000 1.170 7 A CA -0.601 51.432 52.037 -0.007 0.000 0.810 7 A CB 0.486 19.486 19.000 0.001 0.000 1.198 7 A HN 0.502 nan 8.150 nan 0.000 0.484 8 L N 1.946 123.185 121.223 0.027 0.000 2.408 8 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 8 L C -0.227 176.718 176.870 0.126 0.000 0.986 8 L CA -0.762 54.121 54.840 0.073 0.000 0.820 8 L CB 2.097 44.208 42.059 0.088 0.000 1.303 8 L HN 0.669 nan 8.230 nan 0.000 0.411 9 E N 3.541 123.827 120.200 0.144 0.000 2.343 9 E HA 0.521 4.871 4.350 -0.000 0.000 0.269 9 E C -0.734 175.939 176.600 0.121 0.000 1.047 9 E CA -0.300 56.169 56.400 0.113 0.000 0.874 9 E CB 2.376 32.124 29.700 0.079 0.000 1.033 9 E HN 0.486 nan 8.360 nan 0.000 0.409 10 I N -2.338 118.285 120.570 0.088 0.000 2.769 10 I HA 0.656 4.826 4.170 -0.000 0.000 0.298 10 I C 0.297 176.470 176.117 0.094 0.000 1.128 10 I CA -1.148 60.174 61.300 0.037 0.000 1.031 10 I CB 2.103 40.125 38.000 0.037 0.000 1.235 10 I HN 0.396 nan 8.210 nan 0.000 0.423 11 G N 2.444 111.267 108.800 0.038 0.000 2.528 11 G HA2 0.247 4.207 3.960 -0.000 0.000 0.289 11 G HA3 0.247 4.207 3.960 -0.000 0.000 0.289 11 G C 0.449 175.423 174.900 0.122 0.000 1.192 11 G CA -0.322 44.830 45.100 0.087 0.000 0.921 11 G HN 0.806 nan 8.290 nan 0.000 0.512 12 E N 0.431 120.722 120.200 0.151 0.000 2.065 12 E HA -0.181 4.169 4.350 -0.000 0.000 0.201 12 E C 2.006 178.628 176.600 0.037 0.000 1.016 12 E CA 1.781 58.242 56.400 0.101 0.000 0.818 12 E CB -0.259 29.512 29.700 0.117 0.000 0.749 12 E HN 0.536 nan 8.360 nan 0.000 0.453 13 D N 0.751 121.189 120.400 0.063 0.000 2.116 13 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 13 D C 1.951 178.308 176.300 0.095 0.000 0.998 13 D CA 1.396 55.445 54.000 0.081 0.000 0.836 13 D CB -0.319 40.532 40.800 0.086 0.000 0.951 13 D HN 0.170 nan 8.370 nan 0.000 0.449 14 E N -0.088 120.156 120.200 0.073 0.000 2.085 14 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 14 E C 1.990 178.662 176.600 0.119 0.000 0.994 14 E CA 0.879 57.340 56.400 0.101 0.000 0.801 14 E CB -0.123 29.569 29.700 -0.013 0.000 0.743 14 E HN 0.053 nan 8.360 nan 0.000 0.453 15 R N 0.553 121.061 120.500 0.014 0.000 2.091 15 R HA -0.058 4.282 4.340 -0.000 0.000 0.238 15 R C 2.016 178.296 176.300 -0.034 0.000 1.136 15 R CA 1.254 57.315 56.100 -0.065 0.000 0.959 15 R CB -0.554 29.550 30.300 -0.327 0.000 0.856 15 R HN 0.223 nan 8.270 nan 0.000 0.437 16 L N -0.109 121.106 121.223 -0.014 0.000 2.027 16 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 16 L C 1.687 178.557 176.870 -0.001 0.000 1.074 16 L CA 1.550 56.386 54.840 -0.006 0.000 0.745 16 L CB -0.516 41.558 42.059 0.026 0.000 0.898 16 L HN 0.192 nan 8.230 nan 0.000 0.433 17 D N 0.155 120.605 120.400 0.084 0.000 2.224 17 D HA -0.101 4.539 4.640 -0.000 0.000 0.205 17 D C 2.159 178.411 176.300 -0.081 0.000 0.965 17 D CA 0.940 54.984 54.000 0.073 0.000 0.852 17 D CB -0.110 40.878 40.800 0.315 0.000 0.947 17 D HN 0.299 nan 8.370 nan 0.000 0.494 18 L N -0.171 121.081 121.223 0.047 0.000 2.083 18 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 18 L C 1.777 178.587 176.870 -0.100 0.000 1.083 18 L CA 1.614 56.459 54.840 0.009 0.000 0.752 18 L CB -0.699 41.509 42.059 0.249 0.000 0.899 18 L HN -0.148 nan 8.230 nan 0.000 0.433 19 E N 0.238 120.381 120.200 -0.096 0.000 2.107 19 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 19 E C 1.881 178.349 176.600 -0.220 0.000 0.982 19 E CA 0.890 57.214 56.400 -0.127 0.000 0.809 19 E CB -0.156 29.486 29.700 -0.097 0.000 0.756 19 E HN 0.584 nan 8.360 nan 0.000 0.459 20 N N 0.936 119.433 118.700 -0.337 0.000 2.223 20 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 20 N C 1.920 177.071 175.510 -0.599 0.000 1.016 20 N CA 0.790 53.479 53.050 -0.601 0.000 0.863 20 N CB -0.167 37.603 38.487 -1.196 0.000 0.983 20 N HN 0.174 nan 8.380 nan 0.000 0.429 21 L N 0.437 121.382 121.223 -0.463 0.000 2.093 21 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 21 L C 2.270 179.028 176.870 -0.187 0.000 1.085 21 L CA 0.997 55.668 54.840 -0.282 0.000 0.755 21 L CB -0.292 41.580 42.059 -0.312 0.000 0.904 21 L HN 0.119 nan 8.230 nan 0.000 0.435 22 A N -0.517 122.197 122.820 -0.177 0.000 1.970 22 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 22 A C 2.199 179.704 177.584 -0.131 0.000 1.170 22 A CA 1.547 53.508 52.037 -0.127 0.000 0.645 22 A CB -0.654 18.285 19.000 -0.102 0.000 0.816 22 A HN 0.475 nan 8.150 nan 0.000 0.447 23 T N -4.041 110.414 114.554 -0.166 0.000 3.148 23 T HA 0.374 4.724 4.350 -0.000 0.000 0.253 23 T C 1.406 175.993 174.700 -0.188 0.000 1.134 23 T CA 1.035 63.028 62.100 -0.178 0.000 1.051 23 T CB -0.104 68.644 68.868 -0.199 0.000 0.959 23 T HN 1.581 nan 8.240 nan 0.000 0.525 24 G N 0.904 109.620 108.800 -0.139 0.000 2.184 24 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.264 24 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.264 24 G C 1.131 176.020 174.900 -0.018 0.000 0.975 24 G CA 0.106 45.166 45.100 -0.066 0.000 0.642 24 G HN 1.075 nan 8.290 nan 0.000 0.536 25 A N -0.522 122.234 122.820 -0.107 0.000 2.125 25 A HA 0.362 4.682 4.320 -0.000 0.000 0.219 25 A C 1.712 179.562 177.584 0.443 0.000 1.156 25 A CA 1.632 53.687 52.037 0.030 0.000 0.671 25 A CB -0.324 18.649 19.000 -0.043 0.000 0.794 25 A HN 0.798 nan 8.150 nan 0.000 0.459 26 F N -2.296 117.741 119.950 0.145 0.000 2.654 26 F HA 0.243 4.770 4.527 -0.000 0.000 0.303 26 F C 0.482 176.263 175.800 -0.032 0.000 1.099 26 F CA -1.197 56.901 58.000 0.163 0.000 1.270 26 F CB 0.228 39.261 39.000 0.056 0.000 1.024 26 F HN 0.187 nan 8.300 nan 0.000 0.548 27 F N 4.377 124.394 119.950 0.111 0.000 2.637 27 F HA -0.026 4.500 4.527 -0.000 0.000 0.372 27 F C -1.855 173.972 175.800 0.045 0.000 1.107 27 F CA -1.680 56.327 58.000 0.011 0.000 1.325 27 F CB 0.614 39.630 39.000 0.027 0.000 1.016 27 F HN -0.154 nan 8.300 nan 0.000 0.593 28 P HA -0.024 nan 4.420 nan 0.000 0.241 28 P C -0.308 176.688 177.300 -0.508 0.000 1.191 28 P CA 0.416 62.853 63.100 -1.104 0.000 0.771 28 P CB -0.028 31.109 31.700 -0.938 0.000 0.929 29 V N 1.882 121.442 119.914 -0.589 0.000 2.452 29 V HA -0.098 4.022 4.120 -0.000 0.000 0.286 29 V C 1.674 177.627 176.094 -0.236 0.000 0.995 29 V CA 0.745 62.733 62.300 -0.521 0.000 1.116 29 V CB 0.088 31.432 31.823 -0.799 0.000 0.954 29 V HN 0.113 nan 8.190 nan 0.000 0.473 30 K N 3.907 124.203 120.400 -0.175 0.000 1.991 30 K HA 0.185 4.505 4.320 -0.000 0.000 0.208 30 K C 0.919 177.447 176.600 -0.119 0.000 1.038 30 K CA 1.265 57.495 56.287 -0.095 0.000 0.943 30 K CB 0.018 32.481 32.500 -0.062 0.000 0.736 30 K HN 0.782 nan 8.250 nan 0.000 0.440 31 G N -0.521 108.208 108.800 -0.119 0.000 2.949 31 G HA2 0.477 4.437 3.960 -0.000 0.000 0.285 31 G HA3 0.477 4.437 3.960 -0.000 0.000 0.285 31 G C -1.173 173.646 174.900 -0.136 0.000 1.395 31 G CA -0.936 44.072 45.100 -0.152 0.000 0.901 31 G HN 0.020 nan 8.290 nan 0.000 0.519 32 F N 2.231 122.209 119.950 0.046 0.000 2.539 32 F HA 0.105 4.632 4.527 -0.000 0.000 0.393 32 F C 1.832 177.671 175.800 0.064 0.000 1.032 32 F CA 0.037 58.074 58.000 0.061 0.000 1.120 32 F CB -0.098 38.945 39.000 0.072 0.000 1.014 32 F HN 0.248 nan 8.300 nan 0.000 0.546 33 M N 1.639 121.346 119.600 0.178 0.000 2.243 33 M HA 0.171 4.651 4.480 -0.000 0.000 0.309 33 M C 0.709 177.156 176.300 0.245 0.000 1.050 33 M CA -0.251 55.132 55.300 0.139 0.000 1.139 33 M CB -0.119 32.517 32.600 0.059 0.000 1.457 33 M HN 0.642 nan 8.290 nan 0.000 0.440 34 T N -1.247 113.429 114.554 0.204 0.000 2.900 34 T HA 0.229 4.579 4.350 -0.000 0.000 0.326 34 T C 0.976 175.773 174.700 0.161 0.000 1.145 34 T CA -0.217 62.063 62.100 0.299 0.000 0.963 34 T CB 0.871 69.839 68.868 0.167 0.000 1.512 34 T HN 0.874 nan 8.240 nan 0.000 0.552 35 R N -0.029 120.393 120.500 -0.130 0.000 2.100 35 R HA 0.034 4.374 4.340 -0.000 0.000 0.220 35 R C 2.453 178.620 176.300 -0.221 0.000 1.091 35 R CA 1.173 56.920 56.100 -0.588 0.000 0.986 35 R CB -0.308 29.524 30.300 -0.780 0.000 0.888 35 R HN 0.882 nan 8.270 nan 0.000 0.444 36 E N 0.608 120.749 120.200 -0.098 0.000 2.072 36 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 36 E C 1.458 178.045 176.600 -0.022 0.000 0.985 36 E CA 1.302 57.676 56.400 -0.044 0.000 0.801 36 E CB 0.097 29.788 29.700 -0.016 0.000 0.750 36 E HN 0.450 nan 8.360 nan 0.000 0.452 37 E N 0.186 120.381 120.200 -0.009 0.000 2.051 37 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 37 E C 2.060 178.661 176.600 0.003 0.000 0.991 37 E CA 1.002 57.403 56.400 0.002 0.000 0.799 37 E CB -0.149 29.559 29.700 0.014 0.000 0.748 37 E HN 0.357 nan 8.360 nan 0.000 0.449 38 A N 0.875 123.695 122.820 -0.000 0.000 1.972 38 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 38 A C 2.134 179.698 177.584 -0.034 0.000 1.169 38 A CA 1.053 53.089 52.037 -0.002 0.000 0.635 38 A CB -0.436 18.570 19.000 0.011 0.000 0.810 38 A HN 0.124 nan 8.150 nan 0.000 0.446 39 L N -0.032 121.179 121.223 -0.021 0.000 2.127 39 L HA -0.109 4.231 4.340 -0.000 0.000 0.203 39 L C 3.037 179.956 176.870 0.082 0.000 1.080 39 L CA 1.302 56.172 54.840 0.051 0.000 0.768 39 L CB -0.447 41.671 42.059 0.098 0.000 0.924 39 L HN 0.580 nan 8.230 nan 0.000 0.444 40 S N -0.560 115.169 115.700 0.048 0.000 2.368 40 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 40 S C 1.924 176.544 174.600 0.033 0.000 1.030 40 S CA 1.187 59.416 58.200 0.050 0.000 0.999 40 S CB -0.853 62.364 63.200 0.028 0.000 0.844 40 S HN 0.141 nan 8.310 nan 0.000 0.459 41 V N 2.727 122.651 119.914 0.017 0.000 2.261 41 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 41 V C 3.156 179.217 176.094 -0.056 0.000 1.047 41 V CA 1.808 64.122 62.300 0.024 0.000 1.015 41 V CB -1.471 30.404 31.823 0.086 0.000 0.642 41 V HN 0.674 nan 8.190 nan 0.000 0.446 42 A N -1.637 121.099 122.820 -0.141 0.000 2.067 42 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 42 A C 2.009 179.380 177.584 -0.355 0.000 1.158 42 A CA 1.637 53.499 52.037 -0.291 0.000 0.661 42 A CB -0.510 18.250 19.000 -0.399 0.000 0.801 42 A HN 0.721 nan 8.150 nan 0.000 0.452 43 H N -0.734 118.320 119.070 -0.026 0.000 2.545 43 H HA 0.098 4.654 4.556 -0.000 0.000 0.283 43 H C 0.749 176.064 175.328 -0.021 0.000 0.997 43 H CA 1.206 57.241 56.048 -0.021 0.000 1.269 43 H CB 0.291 30.044 29.762 -0.015 0.000 1.451 43 H HN 0.768 nan 8.280 nan 0.000 0.508 44 E N 1.089 121.343 120.200 0.090 0.000 2.734 44 E HA 0.156 4.505 4.350 -0.000 0.000 0.211 44 E C 0.003 176.611 176.600 0.013 0.000 0.991 44 E CA -0.276 56.152 56.400 0.045 0.000 1.065 44 E CB 0.288 30.016 29.700 0.046 0.000 1.047 44 E HN 0.140 nan 8.360 nan 0.000 0.470 45 M N 1.699 121.292 119.600 -0.011 0.000 2.173 45 M HA -0.243 4.237 4.480 -0.000 0.000 0.197 45 M C -0.742 175.562 176.300 0.008 0.000 0.296 45 M CA 1.157 56.438 55.300 -0.032 0.000 0.385 45 M CB -1.210 31.347 32.600 -0.072 0.000 1.141 45 M HN 0.206 nan 8.290 nan 0.000 0.938 46 R N -0.256 120.265 120.500 0.035 0.000 2.680 46 R HA 0.680 5.020 4.340 -0.000 0.000 0.269 46 R C -0.688 175.643 176.300 0.051 0.000 1.026 46 R CA -0.899 55.231 56.100 0.049 0.000 0.889 46 R CB 1.115 31.431 30.300 0.028 0.000 1.241 46 R HN 0.202 nan 8.270 nan 0.000 0.463 47 L N 2.027 123.275 121.223 0.041 0.000 2.456 47 L HA 0.280 4.620 4.340 -0.000 0.000 0.257 47 L C -1.125 175.744 176.870 -0.001 0.000 1.162 47 L CA -1.729 53.113 54.840 0.003 0.000 0.808 47 L CB 0.536 42.567 42.059 -0.048 0.000 1.136 47 L HN 0.259 nan 8.230 nan 0.000 0.466 48 P HA -0.164 nan 4.420 nan 0.000 0.216 48 P C 1.488 178.785 177.300 -0.005 0.000 1.150 48 P CA 1.511 64.609 63.100 -0.002 0.000 0.837 48 P CB -0.028 31.670 31.700 -0.003 0.000 0.786 49 T N -4.401 110.143 114.554 -0.016 0.000 2.684 49 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 49 T C 1.776 176.470 174.700 -0.010 0.000 1.036 49 T CA 1.897 63.987 62.100 -0.017 0.000 1.148 49 T CB -1.097 67.750 68.868 -0.035 0.000 0.863 49 T HN 0.271 nan 8.240 nan 0.000 0.436 50 G N 0.179 108.974 108.800 -0.009 0.000 3.033 50 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.208 50 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.208 50 G C -0.241 174.662 174.900 0.005 0.000 1.006 50 G CA -0.248 44.853 45.100 0.001 0.000 0.808 50 G HN 0.544 nan 8.290 nan 0.000 0.499 51 E N 0.755 120.950 120.200 -0.009 0.000 2.418 51 E HA 0.439 4.789 4.350 -0.000 0.000 0.261 51 E C 0.580 177.210 176.600 0.050 0.000 1.070 51 E CA -0.038 56.362 56.400 -0.000 0.000 0.931 51 E CB 1.343 31.006 29.700 -0.062 0.000 0.954 51 E HN 0.184 nan 8.360 nan 0.000 0.439 52 V N 4.231 124.188 119.914 0.071 0.000 2.508 52 V HA 0.210 4.330 4.120 -0.000 0.000 0.281 52 V C -0.437 175.774 176.094 0.194 0.000 1.041 52 V CA -0.124 62.225 62.300 0.083 0.000 1.016 52 V CB 0.130 31.975 31.823 0.037 0.000 0.984 52 V HN 0.523 nan 8.190 nan 0.000 0.478 53 W N 4.212 125.467 121.300 -0.075 0.000 3.707 53 W HA 0.296 4.956 4.660 -0.000 0.000 0.294 53 W C 0.354 176.806 176.519 -0.111 0.000 1.248 53 W CA -0.075 57.221 57.345 -0.082 0.000 1.217 53 W CB 2.487 31.895 29.460 -0.087 0.000 1.306 53 W HN 0.660 nan 8.180 nan 0.000 0.532 54 T N 0.441 114.651 114.554 -0.573 0.000 2.964 54 T HA 0.281 4.631 4.350 -0.000 0.000 0.249 54 T C 0.491 174.944 174.700 -0.411 0.000 1.000 54 T CA 0.214 62.075 62.100 -0.398 0.000 0.992 54 T CB 0.568 69.188 68.868 -0.413 0.000 1.087 54 T HN 0.126 nan 8.240 nan 0.000 0.489 55 I N 3.597 123.805 120.570 -0.603 0.000 2.312 55 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 55 I C -2.855 173.201 176.117 -0.102 0.000 1.008 55 I CA -3.241 57.751 61.300 -0.513 0.000 1.226 55 I CB 0.991 38.363 38.000 -1.047 0.000 1.371 55 I HN -0.038 nan 8.210 nan 0.000 0.468 56 P HA 0.166 nan 4.420 nan 0.000 0.271 56 P C -0.402 176.915 177.300 0.030 0.000 1.233 56 P CA -0.110 62.999 63.100 0.015 0.000 0.764 56 P CB 0.362 32.053 31.700 -0.015 0.000 0.825 57 I N 5.691 126.307 120.570 0.078 0.000 2.291 57 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 57 I C 0.249 176.526 176.117 0.266 0.000 1.064 57 I CA 0.029 61.408 61.300 0.131 0.000 1.269 57 I CB -0.484 37.560 38.000 0.072 0.000 1.418 57 I HN 0.225 nan 8.210 nan 0.000 0.485 58 L N 6.379 127.786 121.223 0.307 0.000 2.370 58 L HA 0.510 4.850 4.340 -0.000 0.000 0.266 58 L C -0.673 176.308 176.870 0.186 0.000 1.002 58 L CA -1.010 54.014 54.840 0.306 0.000 0.818 58 L CB 2.767 44.940 42.059 0.190 0.000 1.325 58 L HN 0.257 nan 8.230 nan 0.000 0.418 59 L N 2.748 123.920 121.223 -0.084 0.000 2.272 59 L HA 0.408 4.748 4.340 -0.000 0.000 0.284 59 L C -0.455 176.213 176.870 -0.337 0.000 1.045 59 L CA 0.259 54.805 54.840 -0.490 0.000 0.842 59 L CB 0.870 42.358 42.059 -0.952 0.000 1.224 59 L HN 0.564 nan 8.230 nan 0.000 0.430 60 Q N 3.872 123.432 119.800 -0.400 0.000 2.226 60 Q HA 0.686 5.026 4.340 -0.000 0.000 0.256 60 Q C -1.520 174.113 176.000 -0.612 0.000 0.962 60 Q CA -0.408 55.230 55.803 -0.274 0.000 0.887 60 Q CB 2.231 30.923 28.738 -0.077 0.000 1.282 60 Q HN 0.515 nan 8.270 nan 0.000 0.449 61 F N -0.707 119.282 119.950 0.065 0.000 2.591 61 F HA 0.403 4.930 4.527 -0.000 0.000 0.309 61 F C 0.727 176.637 175.800 0.183 0.000 1.098 61 F CA -0.889 57.160 58.000 0.082 0.000 0.937 61 F CB 1.490 40.513 39.000 0.039 0.000 1.250 61 F HN 0.373 nan 8.300 nan 0.000 0.447 62 R N 0.373 121.053 120.500 0.300 0.000 2.276 62 R HA 0.072 4.412 4.340 -0.000 0.000 0.203 62 R C -0.651 175.834 176.300 0.308 0.000 1.017 62 R CA 0.728 56.989 56.100 0.268 0.000 1.010 62 R CB 0.034 30.426 30.300 0.153 0.000 0.900 62 R HN 0.659 nan 8.270 nan 0.000 0.469 63 E N 0.293 120.611 120.200 0.197 0.000 2.274 63 E HA 0.211 4.561 4.350 -0.000 0.000 0.269 63 E C -1.042 175.320 176.600 -0.396 0.000 0.891 63 E CA -0.527 55.792 56.400 -0.134 0.000 0.784 63 E CB 1.608 31.264 29.700 -0.074 0.000 1.225 63 E HN 0.005 nan 8.360 nan 0.000 0.412 64 K N 3.149 122.905 120.400 -1.073 0.000 2.440 64 K HA 0.082 4.402 4.320 -0.000 0.000 0.275 64 K C -2.422 173.903 176.600 -0.457 0.000 1.082 64 K CA -0.514 55.278 56.287 -0.825 0.000 1.135 64 K CB -1.295 30.671 32.500 -0.891 0.000 0.864 64 K HN 0.187 nan 8.250 nan 0.000 0.479 65 P HA 0.216 nan 4.420 nan 0.000 0.269 65 P C 1.072 178.198 177.300 -0.290 0.000 1.209 65 P CA 0.074 62.903 63.100 -0.451 0.000 0.776 65 P CB 0.951 32.245 31.700 -0.677 0.000 0.876 66 R N 1.584 121.947 120.500 -0.227 0.000 2.323 66 R HA 0.148 4.488 4.340 -0.000 0.000 0.198 66 R C 0.971 177.189 176.300 -0.135 0.000 0.988 66 R CA 1.014 57.019 56.100 -0.159 0.000 1.041 66 R CB -1.503 28.721 30.300 -0.126 0.000 0.926 66 R HN 0.509 nan 8.270 nan 0.000 0.476 67 V N -3.877 115.941 119.914 -0.159 0.000 3.170 67 V HA 0.963 5.083 4.120 -0.000 0.000 0.309 67 V C 0.598 176.629 176.094 -0.105 0.000 1.071 67 V CA -0.348 61.877 62.300 -0.124 0.000 1.063 67 V CB 1.528 33.272 31.823 -0.132 0.000 1.123 67 V HN 0.414 nan 8.190 nan 0.000 0.464 68 G N 0.202 108.957 108.800 -0.075 0.000 2.749 68 G HA2 0.675 4.635 3.960 -0.000 0.000 0.300 68 G HA3 0.675 4.635 3.960 -0.000 0.000 0.300 68 G C -3.358 171.522 174.900 -0.033 0.000 1.352 68 G CA -1.475 43.595 45.100 -0.050 0.000 0.789 68 G HN 0.663 nan 8.290 nan 0.000 0.509 69 P HA 0.255 nan 4.420 nan 0.000 0.266 69 P C 1.013 178.308 177.300 -0.009 0.000 1.193 69 P CA 1.941 65.043 63.100 0.003 0.000 0.770 69 P CB 0.881 32.592 31.700 0.018 0.000 0.836 70 G N 1.509 110.306 108.800 -0.005 0.000 2.245 70 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 70 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 70 G C 0.170 175.032 174.900 -0.065 0.000 0.985 70 G CA -0.103 44.984 45.100 -0.022 0.000 0.625 70 G HN 0.622 nan 8.290 nan 0.000 0.536 71 N N 0.494 119.152 118.700 -0.070 0.000 2.524 71 N HA 0.497 5.237 4.740 -0.000 0.000 0.283 71 N C -0.575 174.843 175.510 -0.154 0.000 1.142 71 N CA 0.057 53.047 53.050 -0.100 0.000 0.984 71 N CB 0.780 39.220 38.487 -0.078 0.000 1.155 71 N HN 0.086 nan 8.380 nan 0.000 0.467 72 T N 1.452 115.892 114.554 -0.189 0.000 2.758 72 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 72 T C -0.196 174.447 174.700 -0.095 0.000 0.981 72 T CA -0.513 61.449 62.100 -0.231 0.000 0.965 72 T CB 0.894 69.589 68.868 -0.289 0.000 0.927 72 T HN 0.064 nan 8.240 nan 0.000 0.448 73 V N 2.479 122.370 119.914 -0.040 0.000 2.581 73 V HA 0.771 4.891 4.120 -0.000 0.000 0.303 73 V C 0.199 176.307 176.094 0.023 0.000 1.041 73 V CA -1.195 61.095 62.300 -0.017 0.000 0.907 73 V CB 1.728 33.536 31.823 -0.025 0.000 0.994 73 V HN 1.022 nan 8.190 nan 0.000 0.442 74 A N 5.498 128.329 122.820 0.018 0.000 2.274 74 A HA 0.774 5.094 4.320 -0.000 0.000 0.309 74 A C -0.519 177.094 177.584 0.049 0.000 1.226 74 A CA -0.412 51.648 52.037 0.038 0.000 0.853 74 A CB 0.181 19.196 19.000 0.026 0.000 1.146 74 A HN 0.803 nan 8.150 nan 0.000 0.518 75 L N 2.851 124.115 121.223 0.069 0.000 2.334 75 L HA 0.533 4.873 4.340 -0.000 0.000 0.277 75 L C -0.592 176.327 176.870 0.082 0.000 1.075 75 L CA -0.362 54.528 54.840 0.083 0.000 0.804 75 L CB 1.093 43.207 42.059 0.093 0.000 1.174 75 L HN 0.566 nan 8.230 nan 0.000 0.438 76 L N 1.789 123.066 121.223 0.090 0.000 2.381 76 L HA 0.355 4.695 4.340 -0.000 0.000 0.274 76 L C 0.042 176.988 176.870 0.125 0.000 0.988 76 L CA -0.621 54.272 54.840 0.089 0.000 0.824 76 L CB 1.958 44.050 42.059 0.055 0.000 1.263 76 L HN 0.580 nan 8.230 nan 0.000 0.410 77 H N 2.271 121.358 119.070 0.029 0.000 2.292 77 H HA 0.256 4.812 4.556 -0.000 0.000 0.325 77 H C 1.349 176.690 175.328 0.023 0.000 1.119 77 H CA 1.426 57.490 56.048 0.026 0.000 1.617 77 H CB 0.143 29.921 29.762 0.027 0.000 1.502 77 H HN 0.594 nan 8.280 nan 0.000 0.615 78 G N -1.287 107.395 108.800 -0.196 0.000 2.629 78 G HA2 0.171 4.131 3.960 -0.000 0.000 0.213 78 G HA3 0.171 4.131 3.960 -0.000 0.000 0.213 78 G C 0.905 175.750 174.900 -0.090 0.000 1.425 78 G CA 0.371 45.334 45.100 -0.229 0.000 0.929 78 G HN 0.628 nan 8.290 nan 0.000 0.527 79 G N 0.097 108.878 108.800 -0.031 0.000 4.683 79 G HA2 0.536 4.496 3.960 -0.000 0.000 0.273 79 G HA3 0.536 4.496 3.960 -0.000 0.000 0.273 79 G C -0.248 174.657 174.900 0.008 0.000 1.065 79 G CA 0.316 45.409 45.100 -0.013 0.000 0.837 79 G HN 0.724 nan 8.290 nan 0.000 0.526 80 E N -2.442 117.773 120.200 0.024 0.000 2.423 80 E HA 0.678 5.028 4.350 -0.000 0.000 0.280 80 E C -0.422 176.207 176.600 0.047 0.000 1.030 80 E CA -1.347 55.072 56.400 0.033 0.000 0.812 80 E CB 0.695 30.415 29.700 0.034 0.000 1.313 80 E HN 0.105 nan 8.360 nan 0.000 0.456 81 R N 1.141 121.666 120.500 0.041 0.000 2.309 81 R HA 0.299 4.639 4.340 -0.000 0.000 0.331 81 R C 0.512 176.844 176.300 0.053 0.000 1.116 81 R CA 0.195 56.323 56.100 0.047 0.000 0.970 81 R CB -0.697 29.625 30.300 0.036 0.000 1.024 81 R HN 0.436 nan 8.270 nan 0.000 0.472 82 V N 0.602 120.557 119.914 0.069 0.000 2.379 82 V HA 0.250 4.370 4.120 -0.000 0.000 0.245 82 V C 1.294 177.419 176.094 0.052 0.000 1.044 82 V CA 2.319 64.657 62.300 0.064 0.000 1.036 82 V CB -0.186 31.686 31.823 0.082 0.000 0.664 82 V HN 1.127 nan 8.190 nan 0.000 0.453 83 A N -1.325 121.533 122.820 0.064 0.000 2.581 83 A HA 0.718 5.038 4.320 -0.000 0.000 0.290 83 A C -2.126 175.508 177.584 0.082 0.000 1.119 83 A CA -0.484 51.592 52.037 0.066 0.000 0.670 83 A CB 1.165 20.207 19.000 0.072 0.000 1.280 83 A HN 0.029 nan 8.150 nan 0.000 0.425 84 L N 0.496 121.776 121.223 0.096 0.000 2.329 84 L HA 0.707 5.047 4.340 -0.000 0.000 0.279 84 L C -0.693 176.287 176.870 0.183 0.000 1.014 84 L CA -0.391 54.528 54.840 0.131 0.000 0.814 84 L CB 1.400 43.550 42.059 0.153 0.000 1.257 84 L HN 0.688 nan 8.230 nan 0.000 0.424 85 L N 3.149 124.486 121.223 0.190 0.000 2.313 85 L HA 0.434 4.774 4.340 -0.000 0.000 0.283 85 L C -0.497 176.527 176.870 0.256 0.000 1.013 85 L CA 0.108 55.077 54.840 0.214 0.000 0.816 85 L CB 1.028 43.173 42.059 0.144 0.000 1.236 85 L HN 0.540 nan 8.230 nan 0.000 0.419 86 H N 5.141 124.249 119.070 0.063 0.000 2.638 86 H HA 0.258 4.814 4.556 -0.000 0.000 0.242 86 H C -0.378 174.977 175.328 0.045 0.000 1.610 86 H CA -0.928 55.146 56.048 0.043 0.000 1.275 86 H CB 0.635 30.420 29.762 0.039 0.000 1.583 86 H HN 0.441 nan 8.280 nan 0.000 0.556 87 V N 2.176 122.147 119.914 0.096 0.000 2.644 87 V HA -0.165 3.955 4.120 -0.000 0.000 0.303 87 V C 1.203 177.334 176.094 0.062 0.000 1.058 87 V CA 1.031 63.365 62.300 0.057 0.000 1.228 87 V CB 0.385 32.205 31.823 -0.006 0.000 0.861 87 V HN 0.808 nan 8.190 nan 0.000 0.484 88 A N 4.419 127.286 122.820 0.078 0.000 2.469 88 A HA 0.491 4.811 4.320 -0.000 0.000 0.245 88 A C 0.544 178.173 177.584 0.076 0.000 1.221 88 A CA 0.286 52.369 52.037 0.077 0.000 0.946 88 A CB 0.263 19.319 19.000 0.092 0.000 1.049 88 A HN 0.872 nan 8.150 nan 0.000 0.529 89 E N -1.582 118.659 120.200 0.067 0.000 2.470 89 E HA 0.522 4.872 4.350 -0.000 0.000 0.287 89 E C -1.856 174.748 176.600 0.006 0.000 1.126 89 E CA -0.274 56.177 56.400 0.085 0.000 0.902 89 E CB 1.033 30.840 29.700 0.178 0.000 1.196 89 E HN 0.483 nan 8.360 nan 0.000 0.430 90 A N 2.332 125.157 122.820 0.007 0.000 2.422 90 A HA 0.867 5.187 4.320 -0.000 0.000 0.302 90 A C -1.671 175.923 177.584 0.017 0.000 1.041 90 A CA -0.370 51.598 52.037 -0.114 0.000 0.708 90 A CB 0.726 19.681 19.000 -0.076 0.000 1.257 90 A HN 0.673 nan 8.150 nan 0.000 0.414 91 Y N -2.234 118.126 120.300 0.100 0.000 2.914 91 Y HA 0.873 5.423 4.550 -0.000 0.000 0.327 91 Y C -0.399 175.577 175.900 0.126 0.000 1.440 91 Y CA -0.529 57.631 58.100 0.100 0.000 1.086 91 Y CB 0.135 38.636 38.460 0.070 0.000 1.544 91 Y HN 1.053 nan 8.280 nan 0.000 0.442 92 E N 0.796 121.261 120.200 0.442 0.000 2.293 92 E HA 0.807 5.157 4.350 -0.000 0.000 0.270 92 E C -2.078 174.619 176.600 0.161 0.000 0.879 92 E CA -0.925 55.586 56.400 0.184 0.000 0.756 92 E CB 2.185 31.878 29.700 -0.010 0.000 1.208 92 E HN 0.787 nan 8.360 nan 0.000 0.428 93 L N 0.942 122.214 121.223 0.081 0.000 2.341 93 L HA 0.488 4.828 4.340 -0.000 0.000 0.267 93 L C -0.520 176.343 176.870 -0.011 0.000 1.009 93 L CA -1.307 53.560 54.840 0.045 0.000 0.819 93 L CB 2.442 44.561 42.059 0.100 0.000 1.323 93 L HN 0.668 nan 8.230 nan 0.000 0.425 94 D N 2.091 122.489 120.400 -0.003 0.000 2.508 94 D HA 0.172 4.812 4.640 -0.000 0.000 0.224 94 D C 1.237 177.546 176.300 0.014 0.000 1.171 94 D CA -0.016 53.974 54.000 -0.015 0.000 1.006 94 D CB 0.469 41.268 40.800 -0.001 0.000 1.073 94 D HN 0.409 nan 8.370 nan 0.000 0.513 95 L N 1.974 123.199 121.223 0.002 0.000 2.103 95 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 95 L C 2.061 179.046 176.870 0.191 0.000 1.080 95 L CA 1.408 56.310 54.840 0.103 0.000 0.764 95 L CB -0.381 41.718 42.059 0.068 0.000 0.890 95 L HN 0.419 nan 8.230 nan 0.000 0.435 96 E N 0.248 120.479 120.200 0.053 0.000 2.047 96 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 96 E C 2.296 178.962 176.600 0.110 0.000 0.987 96 E CA 1.198 57.661 56.400 0.106 0.000 0.799 96 E CB -0.207 29.491 29.700 -0.004 0.000 0.752 96 E HN 0.537 nan 8.360 nan 0.000 0.449 97 A N 1.512 124.380 122.820 0.080 0.000 2.066 97 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 97 A C 2.072 179.729 177.584 0.122 0.000 1.157 97 A CA 0.538 52.635 52.037 0.100 0.000 0.670 97 A CB -0.223 18.829 19.000 0.086 0.000 0.804 97 A HN 0.195 nan 8.150 nan 0.000 0.453 98 L N -0.875 120.408 121.223 0.101 0.000 2.162 98 L HA 0.069 4.409 4.340 -0.000 0.000 0.205 98 L C 2.482 179.407 176.870 0.091 0.000 1.086 98 L CA 1.940 56.816 54.840 0.060 0.000 0.778 98 L CB -1.097 41.005 42.059 0.072 0.000 0.928 98 L HN 0.364 nan 8.230 nan 0.000 0.446 99 A N 0.482 123.400 122.820 0.164 0.000 1.873 99 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 99 A C 2.235 179.933 177.584 0.189 0.000 1.186 99 A CA 1.189 53.359 52.037 0.220 0.000 0.616 99 A CB -0.499 18.530 19.000 0.049 0.000 0.823 99 A HN 0.440 nan 8.150 nan 0.000 0.442 100 R N -0.409 120.162 120.500 0.120 0.000 2.159 100 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 100 R C 2.281 178.637 176.300 0.093 0.000 1.131 100 R CA 1.179 57.340 56.100 0.102 0.000 0.982 100 R CB -0.400 29.959 30.300 0.097 0.000 0.868 100 R HN 0.543 nan 8.270 nan 0.000 0.453 101 A N 0.387 123.243 122.820 0.059 0.000 1.878 101 A HA -0.015 4.305 4.320 -0.000 0.000 0.213 101 A C 2.321 179.856 177.584 -0.082 0.000 1.192 101 A CA 0.697 52.725 52.037 -0.016 0.000 0.619 101 A CB -0.240 18.637 19.000 -0.205 0.000 0.837 101 A HN 0.068 nan 8.150 nan 0.000 0.446 102 V N -1.137 118.705 119.914 -0.121 0.000 2.255 102 V HA -0.160 3.960 4.120 -0.000 0.000 0.243 102 V C 2.047 177.917 176.094 -0.373 0.000 1.038 102 V CA 1.898 64.002 62.300 -0.328 0.000 1.008 102 V CB -0.917 30.595 31.823 -0.518 0.000 0.645 102 V HN 0.564 nan 8.190 nan 0.000 0.449 103 F N 0.450 120.330 119.950 -0.117 0.000 2.765 103 F HA 0.474 5.001 4.527 -0.000 0.000 0.302 103 F C 1.858 177.698 175.800 0.067 0.000 1.111 103 F CA 0.569 58.532 58.000 -0.061 0.000 1.359 103 F CB -0.499 38.225 39.000 -0.461 0.000 1.097 103 F HN 0.271 nan 8.300 nan 0.000 0.577 104 G N 0.489 109.402 108.800 0.188 0.000 2.162 104 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 104 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 104 G C 0.344 175.311 174.900 0.112 0.000 0.976 104 G CA 0.570 45.764 45.100 0.157 0.000 0.655 104 G HN 0.600 nan 8.290 nan 0.000 0.533 105 T N -1.294 113.308 114.554 0.080 0.000 2.749 105 T HA 0.508 4.858 4.350 -0.000 0.000 0.310 105 T C -0.739 173.947 174.700 -0.023 0.000 1.496 105 T CA 0.872 62.996 62.100 0.040 0.000 1.006 105 T CB 1.280 70.172 68.868 0.040 0.000 1.457 105 T HN 0.475 nan 8.240 nan 0.000 0.497 106 D N 0.018 120.420 120.400 0.003 0.000 2.556 106 D HA 0.244 4.884 4.640 -0.000 0.000 0.237 106 D C 0.289 176.608 176.300 0.032 0.000 1.296 106 D CA -0.197 53.814 54.000 0.018 0.000 0.807 106 D CB 0.184 41.053 40.800 0.116 0.000 1.084 106 D HN 0.359 nan 8.370 nan 0.000 0.510 107 S N 0.710 116.416 115.700 0.010 0.000 2.465 107 S HA 0.003 4.473 4.470 -0.000 0.000 0.280 107 S C 1.101 175.693 174.600 -0.013 0.000 1.232 107 S CA -0.368 57.864 58.200 0.054 0.000 1.066 107 S CB 0.720 64.005 63.200 0.140 0.000 0.929 107 S HN 0.267 nan 8.310 nan 0.000 0.494 108 E N 3.150 123.363 120.200 0.023 0.000 2.448 108 E HA -0.155 4.195 4.350 -0.000 0.000 0.203 108 E C 1.540 178.118 176.600 -0.037 0.000 1.046 108 E CA 1.493 57.874 56.400 -0.031 0.000 0.871 108 E CB -0.155 29.588 29.700 0.072 0.000 0.790 108 E HN 0.937 nan 8.360 nan 0.000 0.545 109 T N -2.091 112.479 114.554 0.027 0.000 3.035 109 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 109 T C 0.978 175.705 174.700 0.044 0.000 1.109 109 T CA 0.319 62.456 62.100 0.062 0.000 1.119 109 T CB -0.169 68.784 68.868 0.141 0.000 0.900 109 T HN 0.137 nan 8.240 nan 0.000 0.503 110 H N 3.143 122.098 119.070 -0.191 0.000 2.944 110 H HA 0.247 4.803 4.556 -0.000 0.000 0.278 110 H C -2.033 173.066 175.328 -0.381 0.000 1.083 110 H CA -2.557 53.246 56.048 -0.409 0.000 1.479 110 H CB 1.478 30.821 29.762 -0.698 0.000 1.486 110 H HN 0.015 nan 8.280 nan 0.000 0.493 111 P HA -0.135 nan 4.420 nan 0.000 0.219 111 P C 1.288 178.540 177.300 -0.081 0.000 1.144 111 P CA 1.707 64.688 63.100 -0.197 0.000 0.806 111 P CB 0.197 31.605 31.700 -0.487 0.000 0.771 112 G N -0.347 108.579 108.800 0.210 0.000 2.408 112 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.213 112 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.213 112 G C 1.587 175.920 174.900 -0.944 0.000 1.177 112 G CA 0.801 45.836 45.100 -0.107 0.000 0.802 112 G HN 0.292 nan 8.290 nan 0.000 0.533 113 V N -0.217 118.792 119.914 -1.509 0.000 2.407 113 V HA 0.020 4.140 4.120 -0.000 0.000 0.248 113 V C 2.927 178.362 176.094 -1.099 0.000 1.055 113 V CA 1.865 63.260 62.300 -1.507 0.000 1.049 113 V CB -1.236 29.812 31.823 -1.291 0.000 0.662 113 V HN 0.412 nan 8.190 nan 0.000 0.455 114 A N 1.346 123.771 122.820 -0.658 0.000 1.842 114 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 114 A C 2.513 179.949 177.584 -0.247 0.000 1.206 114 A CA 2.856 54.669 52.037 -0.373 0.000 0.630 114 A CB -0.986 17.897 19.000 -0.195 0.000 0.839 114 A HN 0.610 nan 8.150 nan 0.000 0.447 115 R N -0.699 119.697 120.500 -0.174 0.000 2.133 115 R HA -0.210 4.130 4.340 -0.000 0.000 0.247 115 R C 2.024 178.292 176.300 -0.054 0.000 1.151 115 R CA 1.946 58.005 56.100 -0.068 0.000 0.971 115 R CB -0.525 29.767 30.300 -0.012 0.000 0.866 115 R HN 0.482 nan 8.270 nan 0.000 0.447 116 L N 0.134 121.274 121.223 -0.139 0.000 2.017 116 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 116 L C 1.803 178.726 176.870 0.089 0.000 1.073 116 L CA 1.761 56.573 54.840 -0.046 0.000 0.745 116 L CB -0.771 41.208 42.059 -0.132 0.000 0.894 116 L HN 0.280 nan 8.230 nan 0.000 0.432 117 Y N -0.264 119.993 120.300 -0.071 0.000 2.097 117 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 117 Y C 2.359 178.242 175.900 -0.028 0.000 1.152 117 Y CA 0.375 58.443 58.100 -0.053 0.000 1.136 117 Y CB -0.848 37.571 38.460 -0.068 0.000 0.975 117 Y HN 0.369 nan 8.280 nan 0.000 0.498 118 G N 0.038 108.926 108.800 0.147 0.000 2.615 118 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.213 118 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.213 118 G C 1.352 176.288 174.900 0.061 0.000 1.135 118 G CA 0.485 45.634 45.100 0.083 0.000 0.772 118 G HN 0.376 nan 8.290 nan 0.000 0.542 119 K N -0.543 119.893 120.400 0.061 0.000 2.356 119 K HA 0.331 4.651 4.320 -0.000 0.000 0.195 119 K C 0.972 177.596 176.600 0.041 0.000 1.037 119 K CA 0.438 56.740 56.287 0.026 0.000 1.014 119 K CB 0.501 33.005 32.500 0.006 0.000 0.815 119 K HN 0.342 nan 8.250 nan 0.000 0.507 120 G N 1.573 110.417 108.800 0.074 0.000 2.911 120 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 120 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 120 G C -2.802 172.129 174.900 0.052 0.000 1.136 120 G CA -1.081 44.080 45.100 0.101 0.000 0.764 120 G HN -0.182 nan 8.290 nan 0.000 0.626 121 P HA 0.101 nan 4.420 nan 0.000 0.237 121 P C 0.114 177.267 177.300 -0.245 0.000 1.178 121 P CA 0.718 63.693 63.100 -0.208 0.000 0.766 121 P CB 0.032 31.510 31.700 -0.369 0.000 0.876 122 Y N 0.237 120.610 120.300 0.122 0.000 2.334 122 Y HA 0.604 5.154 4.550 -0.000 0.000 0.328 122 Y C 0.762 176.752 175.900 0.150 0.000 1.130 122 Y CA -0.974 57.198 58.100 0.120 0.000 1.163 122 Y CB 1.064 39.582 38.460 0.097 0.000 1.207 122 Y HN -0.164 nan 8.280 nan 0.000 0.471 123 A N 2.520 125.413 122.820 0.121 0.000 2.587 123 A HA 0.845 5.165 4.320 -0.000 0.000 0.293 123 A C -2.077 175.327 177.584 -0.300 0.000 1.087 123 A CA -0.691 51.336 52.037 -0.017 0.000 0.692 123 A CB 1.330 20.290 19.000 -0.066 0.000 1.291 123 A HN 0.530 nan 8.150 nan 0.000 0.407 124 L N 0.322 121.475 121.223 -0.117 0.000 2.341 124 L HA 0.898 5.238 4.340 -0.000 0.000 0.267 124 L C 0.470 177.301 176.870 -0.066 0.000 1.009 124 L CA -0.139 54.617 54.840 -0.141 0.000 0.819 124 L CB 1.760 43.803 42.059 -0.026 0.000 1.323 124 L HN 1.084 nan 8.230 nan 0.000 0.425 125 A N 0.360 123.183 122.820 0.004 0.000 2.386 125 A HA 1.023 5.343 4.320 -0.000 0.000 0.308 125 A C -0.258 177.421 177.584 0.159 0.000 1.128 125 A CA -0.086 52.039 52.037 0.146 0.000 0.789 125 A CB 1.712 20.826 19.000 0.190 0.000 1.325 125 A HN 1.164 nan 8.150 nan 0.000 0.437 126 G N 0.329 109.249 108.800 0.199 0.000 2.348 126 G HA2 0.316 4.276 3.960 -0.000 0.000 0.606 126 G HA3 0.316 4.276 3.960 -0.000 0.000 0.606 126 G C -0.834 174.174 174.900 0.179 0.000 1.466 126 G CA -1.133 44.071 45.100 0.172 0.000 0.950 126 G HN 0.767 nan 8.290 nan 0.000 0.657 127 R N -1.210 119.353 120.500 0.104 0.000 2.905 127 R HA 0.489 4.829 4.340 -0.000 0.000 0.273 127 R C 0.285 176.625 176.300 0.067 0.000 1.033 127 R CA -0.015 56.106 56.100 0.034 0.000 1.182 127 R CB 0.432 30.701 30.300 -0.052 0.000 1.097 127 R HN 0.721 nan 8.270 nan 0.000 0.504 128 V N 0.623 120.547 119.914 0.016 0.000 2.971 128 V HA 0.315 4.435 4.120 -0.000 0.000 0.309 128 V C -0.713 175.375 176.094 -0.011 0.000 1.130 128 V CA -0.769 61.565 62.300 0.057 0.000 0.964 128 V CB 2.566 34.468 31.823 0.131 0.000 1.029 128 V HN 0.663 nan 8.190 nan 0.000 0.427 129 E N 1.641 121.847 120.200 0.010 0.000 2.241 129 E HA 0.550 4.900 4.350 -0.000 0.000 0.263 129 E C -1.392 175.217 176.600 0.015 0.000 0.882 129 E CA -0.621 55.772 56.400 -0.012 0.000 0.769 129 E CB 2.628 32.312 29.700 -0.027 0.000 1.185 129 E HN 0.428 nan 8.360 nan 0.000 0.415 130 V N 4.560 124.473 119.914 -0.002 0.000 2.583 130 V HA 0.134 4.254 4.120 -0.000 0.000 0.287 130 V C 0.861 176.958 176.094 0.005 0.000 1.051 130 V CA 0.109 62.411 62.300 0.003 0.000 1.010 130 V CB 0.988 32.801 31.823 -0.016 0.000 0.988 130 V HN 0.774 nan 8.190 nan 0.000 0.478 131 L N 2.930 124.162 121.223 0.015 0.000 2.766 131 L HA 0.328 4.668 4.340 -0.000 0.000 0.241 131 L C 1.211 178.088 176.870 0.011 0.000 1.080 131 L CA 0.335 55.183 54.840 0.014 0.000 0.909 131 L CB 0.204 42.278 42.059 0.025 0.000 1.277 131 L HN 0.678 nan 8.230 nan 0.000 0.510 132 K N 1.406 121.814 120.400 0.014 0.000 2.687 132 K HA 0.525 4.845 4.320 -0.000 0.000 0.197 132 K C -2.764 173.839 176.600 0.005 0.000 1.049 132 K CA -1.455 54.840 56.287 0.014 0.000 1.030 132 K CB -0.031 32.485 32.500 0.028 0.000 1.261 132 K HN -0.184 nan 8.250 nan 0.000 0.565 133 P HA 0.039 nan 4.420 nan 0.000 0.263 133 P C -0.233 177.057 177.300 -0.017 0.000 1.195 133 P CA -0.147 62.941 63.100 -0.021 0.000 0.762 133 P CB 0.449 32.132 31.700 -0.029 0.000 0.799 134 R N 4.181 124.665 120.500 -0.026 0.000 2.590 134 R HA 0.315 4.655 4.340 -0.000 0.000 0.274 134 R C -2.262 174.026 176.300 -0.020 0.000 1.061 134 R CA -1.750 54.338 56.100 -0.021 0.000 1.081 134 R CB -1.029 29.243 30.300 -0.047 0.000 0.984 134 R HN 0.293 nan 8.270 nan 0.000 0.448 135 P HA -0.038 nan 4.420 nan 0.000 0.258 135 P C -0.833 176.456 177.300 -0.018 0.000 1.187 135 P CA 0.430 63.525 63.100 -0.010 0.000 0.767 135 P CB 0.418 32.120 31.700 0.004 0.000 0.770 136 R N 1.817 122.299 120.500 -0.030 0.000 2.338 136 R HA 0.392 4.732 4.340 -0.000 0.000 0.317 136 R C 0.900 177.175 176.300 -0.042 0.000 0.968 136 R CA -0.641 55.435 56.100 -0.040 0.000 0.849 136 R CB 1.167 31.432 30.300 -0.057 0.000 1.128 136 R HN 0.417 nan 8.270 nan 0.000 0.448 137 T N -0.323 114.209 114.554 -0.036 0.000 2.698 137 T HA 0.135 4.485 4.350 -0.000 0.000 0.295 137 T C -1.556 173.109 174.700 -0.058 0.000 1.007 137 T CA -1.299 60.783 62.100 -0.030 0.000 0.980 137 T CB 0.590 69.453 68.868 -0.008 0.000 1.036 137 T HN 0.224 nan 8.240 nan 0.000 0.526 138 P HA -0.013 nan 4.420 nan 0.000 0.218 138 P C 1.350 178.558 177.300 -0.154 0.000 1.148 138 P CA 0.663 63.710 63.100 -0.089 0.000 0.822 138 P CB -0.156 31.523 31.700 -0.033 0.000 0.784 139 L N -0.561 120.612 121.223 -0.085 0.000 2.072 139 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 139 L C 1.168 177.950 176.870 -0.146 0.000 1.079 139 L CA 1.465 56.252 54.840 -0.089 0.000 0.752 139 L CB -1.608 40.424 42.059 -0.045 0.000 0.906 139 L HN -0.024 nan 8.230 nan 0.000 0.436 140 E N 1.421 121.552 120.200 -0.115 0.000 2.323 140 E HA 0.010 4.360 4.350 -0.000 0.000 0.313 140 E C -0.151 176.380 176.600 -0.115 0.000 1.236 140 E CA 0.051 56.397 56.400 -0.091 0.000 1.333 140 E CB -0.324 29.336 29.700 -0.066 0.000 1.138 140 E HN 0.318 nan 8.360 nan 0.000 0.492 141 K N 1.255 121.551 120.400 -0.172 0.000 2.144 141 K HA 0.127 4.447 4.320 -0.000 0.000 0.270 141 K C 0.651 177.249 176.600 -0.004 0.000 1.005 141 K CA -0.332 55.825 56.287 -0.216 0.000 0.932 141 K CB 1.000 33.161 32.500 -0.564 0.000 1.021 141 K HN 0.238 nan 8.250 nan 0.000 0.462 142 T N -0.523 113.978 114.554 -0.088 0.000 2.816 142 T HA 0.145 4.495 4.350 -0.000 0.000 0.282 142 T C -1.902 172.615 174.700 -0.304 0.000 0.993 142 T CA -1.719 60.306 62.100 -0.125 0.000 0.994 142 T CB 0.966 69.732 68.868 -0.170 0.000 1.025 142 T HN 0.211 nan 8.240 nan 0.000 0.529 143 P HA -0.131 nan 4.420 nan 0.000 0.215 143 P C 1.485 178.502 177.300 -0.473 0.000 1.157 143 P CA 1.284 63.756 63.100 -1.047 0.000 0.874 143 P CB 0.052 31.186 31.700 -0.942 0.000 0.790 144 E N -0.100 119.902 120.200 -0.331 0.000 2.110 144 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 144 E C 1.715 178.202 176.600 -0.188 0.000 0.988 144 E CA 1.026 57.294 56.400 -0.220 0.000 0.804 144 E CB -0.220 29.373 29.700 -0.179 0.000 0.745 144 E HN 0.320 nan 8.360 nan 0.000 0.458 145 E N -0.258 119.822 120.200 -0.199 0.000 2.208 145 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 145 E C 2.047 178.531 176.600 -0.194 0.000 0.988 145 E CA 0.842 57.133 56.400 -0.182 0.000 0.828 145 E CB 0.332 29.908 29.700 -0.207 0.000 0.763 145 E HN 0.178 nan 8.360 nan 0.000 0.478 146 V N 0.677 120.460 119.914 -0.217 0.000 2.535 146 V HA -0.125 3.994 4.120 -0.000 0.000 0.246 146 V C 2.140 177.935 176.094 -0.498 0.000 1.045 146 V CA 1.213 63.353 62.300 -0.267 0.000 1.058 146 V CB -0.261 31.521 31.823 -0.068 0.000 0.689 146 V HN 0.066 nan 8.190 nan 0.000 0.461 147 R N 0.545 120.866 120.500 -0.300 0.000 2.105 147 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 147 R C 2.359 178.605 176.300 -0.090 0.000 1.135 147 R CA 1.646 57.651 56.100 -0.158 0.000 0.967 147 R CB -0.644 29.614 30.300 -0.070 0.000 0.861 147 R HN 0.534 nan 8.270 nan 0.000 0.442 148 A N -0.109 122.653 122.820 -0.097 0.000 1.930 148 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 148 A C 1.971 179.536 177.584 -0.032 0.000 1.175 148 A CA 1.057 53.064 52.037 -0.051 0.000 0.627 148 A CB -0.662 18.303 19.000 -0.057 0.000 0.815 148 A HN 0.417 nan 8.150 nan 0.000 0.443 149 F N -0.222 119.603 119.950 -0.208 0.000 2.269 149 F HA -0.130 4.397 4.527 -0.000 0.000 0.301 149 F C 1.793 177.515 175.800 -0.130 0.000 1.082 149 F CA 1.358 59.254 58.000 -0.173 0.000 1.360 149 F CB -0.249 38.677 39.000 -0.123 0.000 1.041 149 F HN 0.287 nan 8.300 nan 0.000 0.512 150 F N -0.173 119.727 119.950 -0.083 0.000 2.187 150 F HA -0.058 4.469 4.527 -0.000 0.000 0.295 150 F C 2.429 178.096 175.800 -0.221 0.000 1.091 150 F CA 0.437 58.319 58.000 -0.197 0.000 1.308 150 F CB -0.389 38.670 39.000 0.098 0.000 1.030 150 F HN -0.263 nan 8.300 nan 0.000 0.487 151 R N 0.317 120.862 120.500 0.075 0.000 2.189 151 R HA -0.163 4.177 4.340 -0.000 0.000 0.223 151 R C 2.025 178.275 176.300 -0.084 0.000 1.092 151 R CA 0.788 56.895 56.100 0.011 0.000 0.989 151 R CB -0.366 29.946 30.300 0.020 0.000 0.876 151 R HN 0.380 nan 8.270 nan 0.000 0.457 152 Q N 0.825 120.522 119.800 -0.171 0.000 2.224 152 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 152 Q C 1.261 177.084 176.000 -0.295 0.000 0.970 152 Q CA 1.310 56.978 55.803 -0.225 0.000 0.865 152 Q CB 0.302 28.869 28.738 -0.284 0.000 0.922 152 Q HN 0.236 nan 8.270 nan 0.000 0.445 153 R N -1.794 118.448 120.500 -0.429 0.000 2.437 153 R HA 0.180 4.520 4.340 -0.000 0.000 0.257 153 R C 0.707 176.913 176.300 -0.158 0.000 0.927 153 R CA 0.470 56.312 56.100 -0.429 0.000 1.078 153 R CB 1.056 30.784 30.300 -0.953 0.000 1.161 153 R HN 0.359 nan 8.270 nan 0.000 0.529 154 G N 0.893 109.647 108.800 -0.077 0.000 2.155 154 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.257 154 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.257 154 G C -0.454 174.572 174.900 0.211 0.000 0.983 154 G CA -0.076 45.063 45.100 0.066 0.000 0.676 154 G HN 0.211 nan 8.290 nan 0.000 0.528 155 W N 0.618 121.895 121.300 -0.038 0.000 2.565 155 W HA 0.565 5.225 4.660 -0.000 0.000 0.325 155 W C 1.337 177.807 176.519 -0.081 0.000 1.408 155 W CA -0.608 56.679 57.345 -0.097 0.000 1.350 155 W CB -0.061 29.276 29.460 -0.206 0.000 1.426 155 W HN 0.181 nan 8.180 nan 0.000 0.538 156 R N 1.549 122.124 120.500 0.125 0.000 2.206 156 R HA 0.061 4.401 4.340 -0.000 0.000 0.198 156 R C 0.561 176.884 176.300 0.039 0.000 0.986 156 R CA 0.413 56.559 56.100 0.077 0.000 1.029 156 R CB 0.378 30.711 30.300 0.055 0.000 0.966 156 R HN 0.145 nan 8.270 nan 0.000 0.487 157 K N 1.323 121.709 120.400 -0.024 0.000 2.394 157 K HA 0.318 4.638 4.320 -0.000 0.000 0.260 157 K C -1.549 174.956 176.600 -0.157 0.000 0.967 157 K CA -0.321 55.935 56.287 -0.053 0.000 0.855 157 K CB 1.709 34.147 32.500 -0.103 0.000 1.101 157 K HN -0.183 nan 8.250 nan 0.000 0.433 158 V N 4.328 124.183 119.914 -0.098 0.000 2.531 158 V HA 0.342 4.462 4.120 -0.000 0.000 0.301 158 V C -0.507 175.568 176.094 -0.031 0.000 1.034 158 V CA -1.023 61.163 62.300 -0.189 0.000 0.865 158 V CB 1.814 33.409 31.823 -0.381 0.000 0.995 158 V HN 0.451 nan 8.190 nan 0.000 0.424 159 V N 4.151 124.014 119.914 -0.085 0.000 2.370 159 V HA 0.748 4.868 4.120 -0.000 0.000 0.279 159 V C 0.549 176.694 176.094 0.086 0.000 1.029 159 V CA -0.282 62.031 62.300 0.022 0.000 0.870 159 V CB 1.600 33.376 31.823 -0.077 0.000 0.984 159 V HN 1.022 nan 8.190 nan 0.000 0.451 160 A N 5.254 128.198 122.820 0.207 0.000 2.303 160 A HA 0.838 5.158 4.320 -0.000 0.000 0.317 160 A C -1.067 176.695 177.584 0.297 0.000 1.149 160 A CA -0.363 51.840 52.037 0.278 0.000 0.822 160 A CB 0.797 20.020 19.000 0.371 0.000 1.131 160 A HN 0.776 nan 8.150 nan 0.000 0.493 161 F N 1.699 121.705 119.950 0.093 0.000 2.507 161 F HA 0.556 5.083 4.527 -0.000 0.000 0.328 161 F C -0.223 175.620 175.800 0.072 0.000 1.136 161 F CA -0.649 57.359 58.000 0.013 0.000 0.930 161 F CB 2.004 41.002 39.000 -0.003 0.000 1.166 161 F HN 0.658 nan 8.300 nan 0.000 0.436 162 Q N 4.489 123.955 119.800 -0.558 0.000 2.241 162 Q HA 0.624 4.964 4.340 -0.000 0.000 0.254 162 Q C -1.194 174.256 176.000 -0.918 0.000 0.917 162 Q CA -0.059 55.445 55.803 -0.498 0.000 0.919 162 Q CB 1.829 30.485 28.738 -0.135 0.000 1.237 162 Q HN 0.775 nan 8.270 nan 0.000 0.434 163 T N 2.294 116.479 114.554 -0.615 0.000 2.889 163 T HA 0.553 4.903 4.350 -0.000 0.000 0.315 163 T C -0.792 173.755 174.700 -0.254 0.000 1.291 163 T CA -0.533 61.285 62.100 -0.469 0.000 1.028 163 T CB 0.827 69.505 68.868 -0.316 0.000 1.235 163 T HN 0.849 nan 8.240 nan 0.000 0.491 164 R N 2.176 122.579 120.500 -0.162 0.000 2.549 164 R HA 0.410 4.750 4.340 -0.000 0.000 0.361 164 R C -0.003 176.322 176.300 0.043 0.000 0.969 164 R CA -0.600 55.460 56.100 -0.066 0.000 1.158 164 R CB 0.290 30.537 30.300 -0.088 0.000 1.456 164 R HN 0.373 nan 8.270 nan 0.000 0.540 165 N N 0.334 119.065 118.700 0.051 0.000 3.229 165 N HA 0.501 5.241 4.740 -0.000 0.000 0.315 165 N C -1.309 174.305 175.510 0.174 0.000 1.520 165 N CA -0.344 52.804 53.050 0.164 0.000 0.769 165 N CB 2.204 40.806 38.487 0.193 0.000 1.766 165 N HN 0.195 nan 8.380 nan 0.000 0.618 166 A N 0.738 123.671 122.820 0.189 0.000 2.332 166 A HA 0.507 4.827 4.320 -0.000 0.000 0.258 166 A C -2.347 175.197 177.584 -0.068 0.000 1.087 166 A CA -0.837 51.184 52.037 -0.027 0.000 0.802 166 A CB -0.415 18.385 19.000 -0.333 0.000 1.042 166 A HN 0.380 nan 8.150 nan 0.000 0.489 167 P HA 0.236 nan 4.420 nan 0.000 0.276 167 P C -0.693 176.618 177.300 0.018 0.000 1.253 167 P CA 0.488 63.414 63.100 -0.289 0.000 0.766 167 P CB 0.195 31.411 31.700 -0.808 0.000 0.845 168 H N 1.240 120.430 119.070 0.200 0.000 2.771 168 H HA 0.478 5.034 4.556 -0.000 0.000 0.367 168 H C 0.816 176.104 175.328 -0.066 0.000 1.172 168 H CA -1.057 54.980 56.048 -0.018 0.000 1.186 168 H CB 1.227 30.945 29.762 -0.073 0.000 1.790 168 H HN 0.023 nan 8.280 nan 0.000 0.556 169 R N 0.876 121.406 120.500 0.050 0.000 2.140 169 R HA -0.190 4.150 4.340 -0.000 0.000 0.250 169 R C 2.147 178.469 176.300 0.035 0.000 1.150 169 R CA 1.850 57.946 56.100 -0.006 0.000 0.966 169 R CB -1.128 29.135 30.300 -0.062 0.000 0.869 169 R HN 0.802 nan 8.270 nan 0.000 0.445 170 A N -0.108 122.655 122.820 -0.094 0.000 1.930 170 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 170 A C 1.886 179.620 177.584 0.251 0.000 1.175 170 A CA 1.433 53.448 52.037 -0.037 0.000 0.627 170 A CB -0.602 18.232 19.000 -0.278 0.000 0.815 170 A HN 0.496 nan 8.150 nan 0.000 0.443 171 H N -1.191 118.173 119.070 0.491 0.000 2.326 171 H HA -0.097 4.459 4.556 -0.000 0.000 0.301 171 H C 2.188 177.496 175.328 -0.033 0.000 1.081 171 H CA 1.335 57.520 56.048 0.229 0.000 1.334 171 H CB 0.035 29.887 29.762 0.149 0.000 1.385 171 H HN 0.639 nan 8.280 nan 0.000 0.504 172 E N 0.394 120.673 120.200 0.132 0.000 2.118 172 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 172 E C 1.845 178.432 176.600 -0.022 0.000 0.992 172 E CA 1.038 57.433 56.400 -0.009 0.000 0.804 172 E CB -0.125 29.568 29.700 -0.012 0.000 0.741 172 E HN 0.492 nan 8.360 nan 0.000 0.458 173 Y N 1.279 121.544 120.300 -0.058 0.000 2.081 173 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 173 Y C 1.989 177.833 175.900 -0.093 0.000 1.163 173 Y CA 2.039 60.095 58.100 -0.072 0.000 1.135 173 Y CB -0.313 38.105 38.460 -0.070 0.000 0.970 173 Y HN 0.036 nan 8.280 nan 0.000 0.498 174 L N -0.323 120.916 121.223 0.025 0.000 2.079 174 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 174 L C 2.400 179.110 176.870 -0.267 0.000 1.081 174 L CA 1.522 56.312 54.840 -0.083 0.000 0.752 174 L CB -0.688 41.424 42.059 0.088 0.000 0.896 174 L HN 0.348 nan 8.230 nan 0.000 0.433 175 I N -0.845 119.498 120.570 -0.379 0.000 2.252 175 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 175 I C 2.797 178.765 176.117 -0.248 0.000 1.102 175 I CA 0.772 61.861 61.300 -0.352 0.000 1.385 175 I CB -0.383 37.416 38.000 -0.334 0.000 1.064 175 I HN 0.245 nan 8.210 nan 0.000 0.414 176 R N 0.634 120.983 120.500 -0.252 0.000 2.083 176 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 176 R C 2.291 178.420 176.300 -0.286 0.000 1.137 176 R CA 1.351 57.302 56.100 -0.248 0.000 0.951 176 R CB -1.207 28.926 30.300 -0.279 0.000 0.851 176 R HN 0.284 nan 8.270 nan 0.000 0.434 177 L N 0.706 121.705 121.223 -0.373 0.000 2.043 177 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 177 L C 2.179 178.911 176.870 -0.231 0.000 1.075 177 L CA 2.334 56.982 54.840 -0.321 0.000 0.752 177 L CB -1.137 40.728 42.059 -0.324 0.000 0.891 177 L HN 0.256 nan 8.230 nan 0.000 0.432 178 G N -0.669 108.004 108.800 -0.213 0.000 2.418 178 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 178 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 178 G C 1.615 176.382 174.900 -0.222 0.000 1.158 178 G CA 0.952 45.936 45.100 -0.193 0.000 0.771 178 G HN 0.446 nan 8.290 nan 0.000 0.545 179 L N 0.197 121.291 121.223 -0.216 0.000 2.265 179 L HA -0.017 4.323 4.340 -0.000 0.000 0.215 179 L C 2.714 179.459 176.870 -0.209 0.000 1.117 179 L CA 0.745 55.454 54.840 -0.218 0.000 0.782 179 L CB -0.107 41.844 42.059 -0.180 0.000 0.914 179 L HN 0.142 nan 8.230 nan 0.000 0.441 180 E N -0.214 119.868 120.200 -0.196 0.000 2.299 180 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 180 E C 2.147 178.639 176.600 -0.181 0.000 0.998 180 E CA 0.745 57.041 56.400 -0.172 0.000 0.851 180 E CB 0.278 29.883 29.700 -0.159 0.000 0.795 180 E HN 0.513 nan 8.360 nan 0.000 0.492 181 L N -0.476 120.619 121.223 -0.214 0.000 2.463 181 L HA 0.245 4.585 4.340 -0.000 0.000 0.219 181 L C 0.971 177.659 176.870 -0.303 0.000 1.088 181 L CA 0.042 54.735 54.840 -0.244 0.000 0.849 181 L CB 0.290 42.188 42.059 -0.268 0.000 1.012 181 L HN -0.121 nan 8.230 nan 0.000 0.468 182 A N -1.106 121.525 122.820 -0.314 0.000 2.532 182 A HA 0.351 4.671 4.320 -0.000 0.000 0.290 182 A C -0.074 177.274 177.584 -0.393 0.000 1.143 182 A CA -0.550 51.277 52.037 -0.349 0.000 0.728 182 A CB 0.921 19.692 19.000 -0.381 0.000 1.317 182 A HN -0.014 nan 8.150 nan 0.000 0.414 183 D N 0.111 120.253 120.400 -0.431 0.000 2.178 183 D HA 0.104 4.744 4.640 -0.000 0.000 0.201 183 D C 0.874 176.530 176.300 -1.072 0.000 0.980 183 D CA 2.210 55.867 54.000 -0.572 0.000 0.842 183 D CB 0.160 40.694 40.800 -0.442 0.000 0.948 183 D HN 0.804 nan 8.370 nan 0.000 0.472 184 G N -0.871 107.215 108.800 -1.190 0.000 2.673 184 G HA2 0.455 4.415 3.960 -0.000 0.000 0.292 184 G HA3 0.455 4.415 3.960 -0.000 0.000 0.292 184 G C -1.651 172.794 174.900 -0.759 0.000 1.450 184 G CA -0.511 43.659 45.100 -1.549 0.000 0.837 184 G HN -0.043 nan 8.290 nan 0.000 0.505 185 V N 0.813 120.457 119.914 -0.451 0.000 2.555 185 V HA 0.585 4.705 4.120 -0.000 0.000 0.302 185 V C -0.600 175.512 176.094 0.030 0.000 1.038 185 V CA -0.789 61.416 62.300 -0.158 0.000 0.887 185 V CB 1.631 33.376 31.823 -0.131 0.000 0.991 185 V HN 0.739 nan 8.190 nan 0.000 0.434 186 L N 6.351 127.629 121.223 0.091 0.000 2.262 186 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 186 L C -0.378 176.551 176.870 0.098 0.000 1.035 186 L CA 0.164 55.066 54.840 0.102 0.000 0.820 186 L CB 1.406 43.560 42.059 0.158 0.000 1.204 186 L HN 0.446 nan 8.230 nan 0.000 0.424 187 V N 5.762 125.723 119.914 0.078 0.000 2.368 187 V HA 0.188 4.308 4.120 -0.000 0.000 0.266 187 V C 0.057 176.161 176.094 0.017 0.000 1.045 187 V CA -0.225 62.168 62.300 0.156 0.000 0.899 187 V CB 0.384 32.309 31.823 0.170 0.000 1.006 187 V HN 0.716 nan 8.190 nan 0.000 0.470 188 H N 5.904 124.902 119.070 -0.120 0.000 2.439 188 H HA 0.309 4.865 4.556 -0.000 0.000 0.239 188 H C -2.464 172.683 175.328 -0.302 0.000 1.432 188 H CA -2.222 53.676 56.048 -0.251 0.000 1.373 188 H CB 1.190 30.807 29.762 -0.242 0.000 1.463 188 H HN 0.507 nan 8.280 nan 0.000 0.530 189 P HA -0.068 nan 4.420 nan 0.000 0.267 189 P C -0.137 176.997 177.300 -0.278 0.000 1.200 189 P CA -0.079 62.871 63.100 -0.251 0.000 0.772 189 P CB 0.922 32.501 31.700 -0.202 0.000 0.855 190 I N 3.783 124.224 120.570 -0.215 0.000 2.452 190 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 190 I C 1.409 177.466 176.117 -0.099 0.000 1.079 190 I CA 0.344 61.540 61.300 -0.174 0.000 1.387 190 I CB 0.148 38.073 38.000 -0.124 0.000 1.404 190 I HN 0.406 nan 8.210 nan 0.000 0.522 191 L N 5.697 126.862 121.223 -0.096 0.000 2.585 191 L HA 0.203 4.543 4.340 -0.000 0.000 0.226 191 L C 1.533 178.402 176.870 -0.002 0.000 1.113 191 L CA -0.034 54.778 54.840 -0.046 0.000 0.876 191 L CB -0.094 41.925 42.059 -0.067 0.000 1.072 191 L HN 0.696 nan 8.230 nan 0.000 0.468 192 G N 0.139 108.946 108.800 0.011 0.000 2.525 192 G HA2 0.424 4.384 3.960 -0.000 0.000 0.276 192 G HA3 0.424 4.384 3.960 -0.000 0.000 0.276 192 G C -0.057 174.883 174.900 0.067 0.000 1.388 192 G CA -0.006 45.123 45.100 0.047 0.000 1.050 192 G HN 0.204 nan 8.290 nan 0.000 0.520 193 A N -0.441 122.432 122.820 0.088 0.000 2.454 193 A HA 0.526 4.845 4.320 -0.000 0.000 0.260 193 A C 0.427 178.099 177.584 0.147 0.000 1.106 193 A CA 0.105 52.205 52.037 0.105 0.000 0.780 193 A CB 0.148 19.209 19.000 0.101 0.000 1.044 193 A HN 0.538 nan 8.150 nan 0.000 0.498 194 K N 1.487 121.981 120.400 0.156 0.000 2.350 194 K HA 0.386 4.706 4.320 -0.000 0.000 0.241 194 K C -0.434 176.285 176.600 0.198 0.000 0.994 194 K CA -0.962 55.471 56.287 0.244 0.000 0.839 194 K CB 1.989 34.607 32.500 0.196 0.000 1.244 194 K HN 0.824 nan 8.250 nan 0.000 0.443 195 K N 0.284 120.813 120.400 0.215 0.000 2.276 195 K HA 0.124 4.444 4.320 -0.000 0.000 0.259 195 K C -2.140 174.481 176.600 0.034 0.000 1.001 195 K CA -1.159 55.143 56.287 0.025 0.000 0.927 195 K CB 0.160 32.560 32.500 -0.168 0.000 0.969 195 K HN 0.079 nan 8.250 nan 0.000 0.490 196 P HA -0.296 nan 4.420 nan 0.000 0.219 196 P C 0.577 177.860 177.300 -0.029 0.000 1.158 196 P CA 2.002 65.097 63.100 -0.009 0.000 0.895 196 P CB -0.080 31.607 31.700 -0.022 0.000 0.792 197 D N -1.519 118.857 120.400 -0.041 0.000 2.219 197 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 197 D C 0.229 176.467 176.300 -0.104 0.000 0.970 197 D CA 0.828 54.781 54.000 -0.079 0.000 0.851 197 D CB -1.334 39.431 40.800 -0.058 0.000 0.943 197 D HN 0.128 nan 8.370 nan 0.000 0.488 198 D N 0.355 120.752 120.400 -0.004 0.000 2.425 198 D HA 0.052 4.692 4.640 -0.000 0.000 0.247 198 D C 0.037 176.363 176.300 0.042 0.000 1.147 198 D CA -0.224 53.805 54.000 0.049 0.000 0.879 198 D CB 0.096 40.981 40.800 0.141 0.000 1.179 198 D HN -0.056 nan 8.370 nan 0.000 0.456 199 F N 2.693 122.691 119.950 0.080 0.000 2.629 199 F HA 0.061 4.588 4.527 -0.000 0.000 0.369 199 F C -1.387 174.459 175.800 0.076 0.000 1.125 199 F CA -1.094 56.950 58.000 0.074 0.000 1.330 199 F CB -0.186 38.859 39.000 0.075 0.000 1.071 199 F HN 0.178 nan 8.300 nan 0.000 0.595 200 P HA 0.032 nan 4.420 nan 0.000 0.268 200 P C 0.729 178.141 177.300 0.188 0.000 1.205 200 P CA 0.231 63.453 63.100 0.204 0.000 0.771 200 P CB 0.557 32.365 31.700 0.180 0.000 0.858 201 T N 1.277 115.916 114.554 0.142 0.000 2.653 201 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 201 T C 1.514 176.297 174.700 0.138 0.000 1.035 201 T CA 1.849 64.026 62.100 0.128 0.000 1.154 201 T CB -0.559 68.362 68.868 0.089 0.000 0.862 201 T HN 0.628 nan 8.240 nan 0.000 0.441 202 E N 0.086 120.358 120.200 0.120 0.000 2.086 202 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 202 E C 2.284 178.945 176.600 0.103 0.000 1.012 202 E CA 1.600 58.064 56.400 0.108 0.000 0.812 202 E CB -0.312 29.444 29.700 0.092 0.000 0.743 202 E HN 0.350 nan 8.360 nan 0.000 0.453 203 V N 1.763 121.737 119.914 0.100 0.000 2.379 203 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 203 V C 2.388 178.482 176.094 -0.001 0.000 1.044 203 V CA 1.643 63.962 62.300 0.032 0.000 1.036 203 V CB -0.453 31.376 31.823 0.010 0.000 0.664 203 V HN 0.522 nan 8.190 nan 0.000 0.453 204 I N -1.688 118.929 120.570 0.078 0.000 2.315 204 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 204 I C 2.238 178.520 176.117 0.276 0.000 1.117 204 I CA 1.896 63.286 61.300 0.150 0.000 1.404 204 I CB -0.902 37.251 38.000 0.255 0.000 1.071 204 I HN 0.125 nan 8.210 nan 0.000 0.419 205 V N 1.819 121.902 119.914 0.282 0.000 2.407 205 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 205 V C 2.513 178.712 176.094 0.176 0.000 1.055 205 V CA 2.191 64.712 62.300 0.369 0.000 1.049 205 V CB -0.814 31.196 31.823 0.312 0.000 0.662 205 V HN 0.503 nan 8.190 nan 0.000 0.455 206 E N -0.182 120.077 120.200 0.097 0.000 2.230 206 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 206 E C 2.265 178.851 176.600 -0.023 0.000 0.987 206 E CA 0.895 57.315 56.400 0.033 0.000 0.841 206 E CB -0.128 29.590 29.700 0.029 0.000 0.783 206 E HN 0.595 nan 8.360 nan 0.000 0.481 207 A N 0.459 123.249 122.820 -0.050 0.000 1.930 207 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 207 A C 1.751 179.228 177.584 -0.179 0.000 1.176 207 A CA 0.853 52.809 52.037 -0.136 0.000 0.632 207 A CB -0.549 18.320 19.000 -0.219 0.000 0.819 207 A HN 0.211 nan 8.150 nan 0.000 0.445 208 Y N 0.912 121.086 120.300 -0.211 0.000 2.109 208 Y HA -0.265 4.285 4.550 -0.000 0.000 0.285 208 Y C 2.914 178.574 175.900 -0.400 0.000 1.131 208 Y CA 2.040 59.930 58.100 -0.350 0.000 1.121 208 Y CB -0.232 37.852 38.460 -0.627 0.000 0.987 208 Y HN 0.551 nan 8.280 nan 0.000 0.495 209 Q N -0.453 119.167 119.800 -0.301 0.000 2.508 209 Q HA -0.100 4.240 4.340 -0.000 0.000 0.214 209 Q C 1.894 177.856 176.000 -0.064 0.000 0.979 209 Q CA 1.013 56.694 55.803 -0.203 0.000 0.911 209 Q CB -0.315 28.335 28.738 -0.145 0.000 0.969 209 Q HN 0.446 nan 8.270 nan 0.000 0.504 210 A N 1.012 123.803 122.820 -0.049 0.000 1.943 210 A HA 0.036 4.356 4.320 -0.000 0.000 0.213 210 A C 1.939 179.568 177.584 0.075 0.000 1.181 210 A CA 0.413 52.456 52.037 0.011 0.000 0.653 210 A CB -0.261 18.738 19.000 -0.002 0.000 0.833 210 A HN 0.332 nan 8.150 nan 0.000 0.451 211 L N 0.405 121.636 121.223 0.015 0.000 1.973 211 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 211 L C 2.212 179.162 176.870 0.134 0.000 1.073 211 L CA 1.837 56.715 54.840 0.064 0.000 0.746 211 L CB -0.526 41.464 42.059 -0.114 0.000 0.891 211 L HN 0.409 nan 8.230 nan 0.000 0.433 212 I N -0.373 120.229 120.570 0.053 0.000 2.185 212 I HA -0.367 3.803 4.170 -0.000 0.000 0.246 212 I C 2.790 178.940 176.117 0.056 0.000 1.088 212 I CA 1.846 63.178 61.300 0.054 0.000 1.347 212 I CB -0.476 37.533 38.000 0.014 0.000 1.041 212 I HN 0.385 nan 8.210 nan 0.000 0.415 213 R N 0.672 121.198 120.500 0.043 0.000 2.090 213 R HA -0.143 4.197 4.340 -0.000 0.000 0.228 213 R C 1.192 177.486 176.300 -0.009 0.000 1.110 213 R CA 1.675 57.789 56.100 0.024 0.000 0.973 213 R CB 0.040 30.351 30.300 0.018 0.000 0.869 213 R HN 0.333 nan 8.270 nan 0.000 0.440 214 D N -1.328 119.078 120.400 0.010 0.000 2.379 214 D HA 0.041 4.681 4.640 -0.000 0.000 0.208 214 D C 0.064 176.037 176.300 -0.546 0.000 1.065 214 D CA 0.452 54.315 54.000 -0.229 0.000 0.848 214 D CB 0.536 41.191 40.800 -0.242 0.000 0.949 214 D HN 0.214 nan 8.370 nan 0.000 0.509 215 F N -0.005 119.928 119.950 -0.027 0.000 2.960 215 F HA 0.330 4.857 4.527 -0.000 0.000 0.345 215 F C 0.239 176.021 175.800 -0.030 0.000 1.147 215 F CA -0.163 57.820 58.000 -0.028 0.000 1.099 215 F CB 0.980 39.960 39.000 -0.034 0.000 1.219 215 F HN -0.285 nan 8.300 nan 0.000 0.525 216 L N -0.203 121.084 121.223 0.107 0.000 2.409 216 L HA 0.505 4.845 4.340 -0.000 0.000 0.255 216 L C -2.537 174.349 176.870 0.027 0.000 1.027 216 L CA -2.205 52.669 54.840 0.056 0.000 0.834 216 L CB 2.341 44.432 42.059 0.053 0.000 1.426 216 L HN -0.362 nan 8.230 nan 0.000 0.411 217 P HA 0.064 nan 4.420 nan 0.000 0.258 217 P C 0.080 177.407 177.300 0.046 0.000 1.563 217 P CA 0.150 63.257 63.100 0.012 0.000 1.241 217 P CB 0.266 31.958 31.700 -0.014 0.000 1.811 218 Q N 1.555 121.386 119.800 0.052 0.000 2.224 218 Q HA -0.292 4.048 4.340 -0.000 0.000 0.213 218 Q C 1.236 177.313 176.000 0.128 0.000 0.998 218 Q CA 2.006 57.857 55.803 0.079 0.000 0.895 218 Q CB -0.314 28.461 28.738 0.062 0.000 0.926 218 Q HN 0.563 nan 8.270 nan 0.000 0.417 219 E N 0.120 120.394 120.200 0.122 0.000 2.274 219 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 219 E C 0.874 177.650 176.600 0.293 0.000 0.996 219 E CA 0.789 57.295 56.400 0.177 0.000 0.840 219 E CB 0.081 29.857 29.700 0.126 0.000 0.772 219 E HN 0.199 nan 8.360 nan 0.000 0.491 220 R N 0.468 121.088 120.500 0.200 0.000 2.652 220 R HA 0.285 4.625 4.340 -0.000 0.000 0.372 220 R C -0.949 175.393 176.300 0.069 0.000 1.104 220 R CA -0.064 56.119 56.100 0.138 0.000 1.072 220 R CB 1.180 31.389 30.300 -0.151 0.000 1.367 220 R HN -0.051 nan 8.270 nan 0.000 0.577 221 V N 1.448 121.499 119.914 0.228 0.000 2.357 221 V HA 0.376 4.496 4.120 -0.000 0.000 0.281 221 V C -0.064 176.171 176.094 0.235 0.000 1.015 221 V CA -0.983 61.418 62.300 0.169 0.000 0.827 221 V CB 1.371 33.250 31.823 0.093 0.000 1.018 221 V HN 0.251 nan 8.190 nan 0.000 0.432 222 A N 4.870 127.844 122.820 0.258 0.000 2.404 222 A HA 0.656 4.976 4.320 -0.000 0.000 0.273 222 A C -0.785 176.619 177.584 -0.300 0.000 1.144 222 A CA 0.008 51.976 52.037 -0.114 0.000 0.806 222 A CB -0.024 18.884 19.000 -0.154 0.000 1.080 222 A HN 0.726 nan 8.150 nan 0.000 0.509 223 F N 4.673 124.304 119.950 -0.532 0.000 2.359 223 F HA 0.636 5.163 4.527 -0.000 0.000 0.370 223 F C -1.089 174.687 175.800 -0.040 0.000 1.077 223 F CA -1.279 56.562 58.000 -0.265 0.000 1.136 223 F CB 0.089 39.048 39.000 -0.068 0.000 1.387 223 F HN 0.491 nan 8.300 nan 0.000 0.468 224 F N 2.163 121.866 119.950 -0.412 0.000 2.611 224 F HA 0.729 5.256 4.527 -0.000 0.000 0.324 224 F C 0.631 176.267 175.800 -0.273 0.000 1.061 224 F CA -1.569 56.232 58.000 -0.332 0.000 0.954 224 F CB 2.116 40.994 39.000 -0.205 0.000 1.301 224 F HN 0.433 nan 8.300 nan 0.000 0.482 225 G N 1.163 109.936 108.800 -0.046 0.000 2.420 225 G HA2 0.562 4.522 3.960 -0.000 0.000 0.331 225 G HA3 0.562 4.522 3.960 -0.000 0.000 0.331 225 G C -2.172 172.517 174.900 -0.353 0.000 1.168 225 G CA -0.610 44.352 45.100 -0.229 0.000 0.936 225 G HN 0.417 nan 8.290 nan 0.000 0.479 226 L N 2.369 123.208 121.223 -0.641 0.000 2.257 226 L HA 0.696 5.036 4.340 -0.000 0.000 0.290 226 L C 0.664 177.381 176.870 -0.255 0.000 1.044 226 L CA -0.945 53.516 54.840 -0.632 0.000 0.810 226 L CB 0.983 42.515 42.059 -0.878 0.000 1.193 226 L HN 0.575 nan 8.230 nan 0.000 0.425 227 A N 4.054 126.798 122.820 -0.126 0.000 2.807 227 A HA 0.592 4.912 4.320 -0.000 0.000 0.307 227 A C 0.177 177.773 177.584 0.020 0.000 1.532 227 A CA 0.088 52.097 52.037 -0.047 0.000 1.215 227 A CB -0.503 18.475 19.000 -0.037 0.000 1.127 227 A HN 0.781 nan 8.150 nan 0.000 0.543 228 T N 1.957 116.545 114.554 0.057 0.000 2.830 228 T HA 0.612 4.962 4.350 -0.000 0.000 0.322 228 T C -3.289 171.494 174.700 0.138 0.000 1.501 228 T CA -1.019 61.183 62.100 0.169 0.000 1.036 228 T CB 1.644 70.716 68.868 0.341 0.000 1.379 228 T HN 0.199 nan 8.240 nan 0.000 0.493 229 P HA 0.476 nan 4.420 nan 0.000 0.278 229 P C -0.659 176.716 177.300 0.125 0.000 1.258 229 P CA -0.820 62.360 63.100 0.134 0.000 0.811 229 P CB 0.482 32.266 31.700 0.140 0.000 1.063 230 M N 1.746 121.398 119.600 0.087 0.000 2.180 230 M HA 0.205 4.685 4.480 -0.000 0.000 0.358 230 M C 0.924 177.257 176.300 0.056 0.000 1.233 230 M CA 0.064 55.318 55.300 -0.076 0.000 1.114 230 M CB 0.938 33.300 32.600 -0.397 0.000 1.594 230 M HN 0.261 nan 8.290 nan 0.000 0.467 231 R N 1.730 122.235 120.500 0.010 0.000 2.237 231 R HA 0.119 4.459 4.340 -0.000 0.000 0.195 231 R C -0.420 176.171 176.300 0.485 0.000 0.956 231 R CA 0.305 56.537 56.100 0.221 0.000 1.029 231 R CB -0.129 30.146 30.300 -0.043 0.000 0.972 231 R HN 0.669 nan 8.270 nan 0.000 0.493 232 Y N -1.169 119.219 120.300 0.148 0.000 3.825 232 Y HA -0.298 4.252 4.550 -0.000 0.000 0.221 232 Y C 0.904 176.974 175.900 0.283 0.000 1.195 232 Y CA 0.309 58.518 58.100 0.181 0.000 1.699 232 Y CB -2.213 36.358 38.460 0.184 0.000 1.531 232 Y HN 0.169 nan 8.280 nan 0.000 0.640 233 A N -0.256 122.633 122.820 0.115 0.000 2.276 233 A HA 0.462 4.782 4.320 -0.000 0.000 0.212 233 A C 2.056 179.371 177.584 -0.448 0.000 1.230 233 A CA 1.071 53.056 52.037 -0.087 0.000 0.844 233 A CB -0.912 17.811 19.000 -0.463 0.000 0.860 233 A HN 1.499 nan 8.150 nan 0.000 0.486 234 G N 0.355 108.795 108.800 -0.599 0.000 2.660 234 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.321 234 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.321 234 G C -0.678 173.954 174.900 -0.447 0.000 1.246 234 G CA 0.639 45.211 45.100 -0.880 0.000 1.000 234 G HN 0.336 nan 8.290 nan 0.000 0.550 235 P HA -0.073 nan 4.420 nan 0.000 0.215 235 P C 1.870 179.009 177.300 -0.269 0.000 1.163 235 P CA 2.390 65.358 63.100 -0.219 0.000 0.894 235 P CB -0.179 31.425 31.700 -0.160 0.000 0.791 236 K N -0.463 119.753 120.400 -0.307 0.000 2.097 236 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 236 K C 2.194 178.578 176.600 -0.359 0.000 1.049 236 K CA 1.370 57.453 56.287 -0.341 0.000 0.933 236 K CB -0.346 31.945 32.500 -0.348 0.000 0.717 236 K HN 0.241 nan 8.250 nan 0.000 0.442 237 E N 0.623 120.611 120.200 -0.354 0.000 2.274 237 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 237 E C 1.762 178.160 176.600 -0.338 0.000 0.996 237 E CA 0.664 56.837 56.400 -0.380 0.000 0.840 237 E CB 0.080 29.535 29.700 -0.408 0.000 0.772 237 E HN 0.313 nan 8.360 nan 0.000 0.491 238 A N 0.283 123.034 122.820 -0.115 0.000 1.873 238 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 238 A C 2.334 179.975 177.584 0.094 0.000 1.186 238 A CA 1.305 53.423 52.037 0.134 0.000 0.616 238 A CB -0.565 18.534 19.000 0.166 0.000 0.823 238 A HN 0.211 nan 8.150 nan 0.000 0.442 239 V N -0.968 118.841 119.914 -0.175 0.000 2.407 239 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 239 V C 2.270 178.217 176.094 -0.246 0.000 1.055 239 V CA 2.013 64.170 62.300 -0.238 0.000 1.049 239 V CB -1.022 30.535 31.823 -0.444 0.000 0.662 239 V HN 0.615 nan 8.190 nan 0.000 0.455 240 F N 1.219 120.861 119.950 -0.514 0.000 2.075 240 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 240 F C 2.395 177.961 175.800 -0.390 0.000 1.113 240 F CA 2.105 59.708 58.000 -0.662 0.000 1.218 240 F CB -0.804 37.791 39.000 -0.676 0.000 0.984 240 F HN 0.267 nan 8.300 nan 0.000 0.472 241 H N -0.665 118.175 119.070 -0.383 0.000 2.352 241 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 241 H C 2.346 177.108 175.328 -0.943 0.000 1.097 241 H CA 0.729 56.452 56.048 -0.542 0.000 1.311 241 H CB -0.262 29.448 29.762 -0.087 0.000 1.377 241 H HN 0.400 nan 8.280 nan 0.000 0.504 242 A N 1.151 123.517 122.820 -0.756 0.000 1.845 242 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 242 A C 2.399 179.760 177.584 -0.371 0.000 1.195 242 A CA 1.342 52.917 52.037 -0.770 0.000 0.616 242 A CB -0.910 18.025 19.000 -0.108 0.000 0.832 242 A HN 0.280 nan 8.150 nan 0.000 0.443 243 L N -0.372 120.710 121.223 -0.236 0.000 2.079 243 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 243 L C 2.536 179.409 176.870 0.006 0.000 1.081 243 L CA 1.203 55.995 54.840 -0.080 0.000 0.752 243 L CB -0.660 41.340 42.059 -0.099 0.000 0.896 243 L HN 0.270 nan 8.230 nan 0.000 0.433 244 V N -0.577 119.251 119.914 -0.143 0.000 2.307 244 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 244 V C 2.608 178.828 176.094 0.210 0.000 1.045 244 V CA 1.438 63.774 62.300 0.060 0.000 1.024 244 V CB -0.600 31.116 31.823 -0.179 0.000 0.651 244 V HN 0.400 nan 8.190 nan 0.000 0.449 245 R N 0.476 120.967 120.500 -0.014 0.000 2.193 245 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 245 R C 2.115 178.544 176.300 0.215 0.000 1.110 245 R CA 1.121 57.278 56.100 0.096 0.000 0.988 245 R CB -0.830 29.424 30.300 -0.078 0.000 0.871 245 R HN 0.556 nan 8.270 nan 0.000 0.458 246 K N 0.845 121.327 120.400 0.136 0.000 2.057 246 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 246 K C 1.325 178.057 176.600 0.219 0.000 1.049 246 K CA 1.280 57.665 56.287 0.164 0.000 0.931 246 K CB 0.037 32.614 32.500 0.128 0.000 0.714 246 K HN 0.083 nan 8.250 nan 0.000 0.440 247 N N 0.177 119.030 118.700 0.255 0.000 2.309 247 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 247 N C 1.161 176.723 175.510 0.086 0.000 1.018 247 N CA 0.935 54.092 53.050 0.178 0.000 0.876 247 N CB -0.151 38.457 38.487 0.202 0.000 0.972 247 N HN 0.162 nan 8.380 nan 0.000 0.434 248 F N 0.163 120.184 119.950 0.118 0.000 2.811 248 F HA 0.205 4.732 4.527 -0.000 0.000 0.301 248 F C 1.767 177.666 175.800 0.165 0.000 1.151 248 F CA 0.308 58.368 58.000 0.099 0.000 1.412 248 F CB -0.149 38.917 39.000 0.111 0.000 1.113 248 F HN 0.102 nan 8.300 nan 0.000 0.579 249 G N -0.138 108.868 108.800 0.342 0.000 2.157 249 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.239 249 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.239 249 G C 0.362 175.548 174.900 0.477 0.000 0.982 249 G CA -0.191 45.161 45.100 0.419 0.000 0.650 249 G HN 0.608 nan 8.290 nan 0.000 0.527 250 A N 0.190 123.252 122.820 0.405 0.000 2.388 250 A HA 0.711 5.031 4.320 -0.000 0.000 0.257 250 A C 1.526 179.227 177.584 0.195 0.000 1.095 250 A CA 1.295 53.499 52.037 0.278 0.000 0.791 250 A CB 0.452 19.615 19.000 0.272 0.000 1.029 250 A HN 1.296 nan 8.150 nan 0.000 0.489 251 T N -0.735 113.927 114.554 0.181 0.000 3.037 251 T HA 0.229 4.579 4.350 -0.000 0.000 0.252 251 T C 0.391 175.078 174.700 -0.022 0.000 1.073 251 T CA 0.840 63.017 62.100 0.128 0.000 1.091 251 T CB -0.234 68.763 68.868 0.214 0.000 0.935 251 T HN 0.699 nan 8.240 nan 0.000 0.488 252 H N -0.254 118.850 119.070 0.056 0.000 2.690 252 H HA 0.693 5.249 4.556 -0.000 0.000 0.368 252 H C -1.834 173.587 175.328 0.154 0.000 1.150 252 H CA -1.543 54.538 56.048 0.056 0.000 1.174 252 H CB 1.566 31.323 29.762 -0.008 0.000 1.684 252 H HN 0.182 nan 8.280 nan 0.000 0.538 253 F N 1.949 121.914 119.950 0.026 0.000 2.556 253 F HA 0.493 5.020 4.527 -0.000 0.000 0.314 253 F C -1.666 174.115 175.800 -0.032 0.000 1.106 253 F CA -0.919 57.080 58.000 -0.002 0.000 0.911 253 F CB 1.060 40.029 39.000 -0.051 0.000 1.190 253 F HN 0.389 nan 8.300 nan 0.000 0.448 254 L N 5.795 126.601 121.223 -0.695 0.000 2.334 254 L HA 0.701 5.041 4.340 -0.000 0.000 0.277 254 L C -0.919 175.485 176.870 -0.776 0.000 1.075 254 L CA -0.866 53.675 54.840 -0.498 0.000 0.804 254 L CB 1.583 43.574 42.059 -0.114 0.000 1.174 254 L HN 0.394 nan 8.230 nan 0.000 0.438 255 V N 2.528 122.225 119.914 -0.362 0.000 2.532 255 V HA 0.487 4.607 4.120 -0.000 0.000 0.294 255 V C 0.435 176.639 176.094 0.183 0.000 1.036 255 V CA -0.462 61.717 62.300 -0.202 0.000 0.876 255 V CB 1.287 32.997 31.823 -0.188 0.000 1.012 255 V HN 0.915 nan 8.190 nan 0.000 0.432 256 G N 3.515 112.486 108.800 0.286 0.000 2.773 256 G HA2 0.439 4.399 3.960 -0.000 0.000 0.186 256 G HA3 0.439 4.399 3.960 -0.000 0.000 0.186 256 G C -0.128 174.890 174.900 0.197 0.000 1.411 256 G CA -0.709 44.572 45.100 0.301 0.000 1.054 256 G HN 0.636 nan 8.290 nan 0.000 0.579 257 R N -0.144 120.399 120.500 0.071 0.000 2.490 257 R HA 0.229 4.569 4.340 -0.000 0.000 0.280 257 R C -0.246 176.010 176.300 -0.072 0.000 1.077 257 R CA 0.303 56.314 56.100 -0.149 0.000 1.065 257 R CB 0.229 30.451 30.300 -0.131 0.000 1.003 257 R HN 0.534 nan 8.270 nan 0.000 0.470 258 D N 1.863 122.164 120.400 -0.164 0.000 2.704 258 D HA -0.264 4.376 4.640 -0.000 0.000 0.232 258 D C -0.978 175.362 176.300 0.067 0.000 1.183 258 D CA 1.030 55.013 54.000 -0.028 0.000 0.647 258 D CB -1.137 39.664 40.800 0.002 0.000 1.013 258 D HN 0.644 nan 8.370 nan 0.000 0.415 259 H N 0.501 119.577 119.070 0.009 0.000 3.004 259 H HA 0.372 4.928 4.556 -0.000 0.000 0.316 259 H C 1.153 176.496 175.328 0.025 0.000 1.014 259 H CA 0.894 56.977 56.048 0.060 0.000 1.454 259 H CB 0.365 30.201 29.762 0.123 0.000 1.472 259 H HN 0.423 nan 8.280 nan 0.000 0.571 260 A N 3.300 125.941 122.820 -0.299 0.000 2.745 260 A HA -0.155 4.165 4.320 -0.000 0.000 0.296 260 A C 0.870 178.425 177.584 -0.048 0.000 1.500 260 A CA 1.025 52.947 52.037 -0.191 0.000 0.766 260 A CB -1.926 16.975 19.000 -0.166 0.000 1.030 260 A HN 1.052 nan 8.150 nan 0.000 0.489 261 G N -1.747 107.094 108.800 0.069 0.000 2.552 261 G HA2 0.799 4.759 3.960 -0.000 0.000 0.324 261 G HA3 0.799 4.759 3.960 -0.000 0.000 0.324 261 G C -0.242 174.858 174.900 0.333 0.000 1.217 261 G CA -0.015 45.239 45.100 0.256 0.000 0.989 261 G HN 1.683 nan 8.290 nan 0.000 0.490 262 V N -1.059 119.078 119.914 0.373 0.000 2.577 262 V HA 0.824 4.944 4.120 -0.000 0.000 0.303 262 V C 1.047 177.270 176.094 0.216 0.000 1.042 262 V CA 0.092 62.530 62.300 0.230 0.000 0.872 262 V CB 0.404 32.245 31.823 0.029 0.000 0.998 262 V HN 2.089 nan 8.190 nan 0.000 0.423 263 G N 4.200 113.075 108.800 0.126 0.000 2.634 263 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.318 263 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.318 263 G C 0.089 175.020 174.900 0.051 0.000 1.207 263 G CA 1.145 46.281 45.100 0.059 0.000 0.987 263 G HN 0.940 nan 8.290 nan 0.000 0.547 264 D N -0.442 119.944 120.400 -0.022 0.000 2.636 264 D HA 0.453 5.093 4.640 -0.000 0.000 0.270 264 D C 1.251 177.514 176.300 -0.062 0.000 1.430 264 D CA -0.352 53.634 54.000 -0.024 0.000 0.796 264 D CB 0.121 40.880 40.800 -0.067 0.000 1.117 264 D HN 0.192 nan 8.370 nan 0.000 0.480 265 F N 0.620 120.502 119.950 -0.114 0.000 2.065 265 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 265 F C 0.578 176.186 175.800 -0.319 0.000 1.112 265 F CA 1.376 59.198 58.000 -0.296 0.000 1.212 265 F CB -0.152 38.517 39.000 -0.552 0.000 0.975 265 F HN -0.003 nan 8.300 nan 0.000 0.476 266 Y N -0.642 119.803 120.300 0.242 0.000 2.403 266 Y HA 0.301 4.851 4.550 -0.000 0.000 0.323 266 Y C 0.015 175.966 175.900 0.086 0.000 1.226 266 Y CA -1.931 56.261 58.100 0.154 0.000 1.235 266 Y CB 0.132 38.671 38.460 0.132 0.000 1.248 266 Y HN -0.228 nan 8.280 nan 0.000 0.489 267 D N 2.024 122.570 120.400 0.244 0.000 2.417 267 D HA 0.126 4.766 4.640 -0.000 0.000 0.250 267 D C -1.801 174.547 176.300 0.079 0.000 1.166 267 D CA -1.394 52.699 54.000 0.155 0.000 0.881 267 D CB 1.051 41.952 40.800 0.169 0.000 1.164 267 D HN 0.229 nan 8.370 nan 0.000 0.467 268 P HA -0.179 nan 4.420 nan 0.000 0.218 268 P C -0.246 176.628 177.300 -0.709 0.000 1.147 268 P CA 1.365 64.227 63.100 -0.396 0.000 0.827 268 P CB 0.010 31.370 31.700 -0.566 0.000 0.778 269 Y N -3.281 116.994 120.300 -0.042 0.000 2.612 269 Y HA 0.490 5.040 4.550 -0.000 0.000 0.250 269 Y C 2.013 177.916 175.900 0.006 0.000 1.175 269 Y CA -0.199 57.819 58.100 -0.137 0.000 1.205 269 Y CB -0.680 37.732 38.460 -0.080 0.000 1.201 269 Y HN -0.133 nan 8.280 nan 0.000 0.532 270 A N 0.783 123.676 122.820 0.122 0.000 1.902 270 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 270 A C 2.339 179.995 177.584 0.120 0.000 1.181 270 A CA 1.677 53.794 52.037 0.133 0.000 0.623 270 A CB -0.820 18.260 19.000 0.132 0.000 0.818 270 A HN 0.393 nan 8.150 nan 0.000 0.443 271 A N -1.580 121.305 122.820 0.109 0.000 2.216 271 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 271 A C 1.823 179.669 177.584 0.437 0.000 1.160 271 A CA 1.679 53.822 52.037 0.176 0.000 0.725 271 A CB -0.655 18.466 19.000 0.201 0.000 0.784 271 A HN 0.627 nan 8.150 nan 0.000 0.472 272 H N -0.335 118.876 119.070 0.236 0.000 2.361 272 H HA 0.126 4.682 4.556 -0.000 0.000 0.308 272 H C 2.186 177.677 175.328 0.272 0.000 1.053 272 H CA 1.333 57.551 56.048 0.283 0.000 1.377 272 H CB -0.182 29.732 29.762 0.253 0.000 1.434 272 H HN 0.462 nan 8.280 nan 0.000 0.548 273 R N 0.255 120.951 120.500 0.327 0.000 2.120 273 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 273 R C 2.269 178.645 176.300 0.127 0.000 1.123 273 R CA 1.149 57.370 56.100 0.201 0.000 0.975 273 R CB -0.370 30.022 30.300 0.153 0.000 0.866 273 R HN 0.286 nan 8.270 nan 0.000 0.446 274 I N 0.731 121.337 120.570 0.058 0.000 2.335 274 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 274 I C 1.320 177.339 176.117 -0.162 0.000 1.129 274 I CA 1.444 62.681 61.300 -0.105 0.000 1.402 274 I CB 0.018 37.867 38.000 -0.252 0.000 1.069 274 I HN 0.044 nan 8.210 nan 0.000 0.424 275 F N 0.843 120.808 119.950 0.026 0.000 2.365 275 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 275 F C 1.984 177.791 175.800 0.012 0.000 1.090 275 F CA 0.918 58.924 58.000 0.009 0.000 1.408 275 F CB -0.391 38.612 39.000 0.005 0.000 1.060 275 F HN 0.136 nan 8.300 nan 0.000 0.534 276 D N -0.198 120.307 120.400 0.174 0.000 2.224 276 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 276 D C 1.927 178.267 176.300 0.067 0.000 0.965 276 D CA 0.866 54.932 54.000 0.110 0.000 0.852 276 D CB -0.222 40.636 40.800 0.097 0.000 0.947 276 D HN 0.226 nan 8.370 nan 0.000 0.494 277 R N -0.454 120.070 120.500 0.041 0.000 2.317 277 R HA 0.255 4.595 4.340 -0.000 0.000 0.208 277 R C 0.244 176.546 176.300 0.004 0.000 0.914 277 R CA 0.052 56.162 56.100 0.016 0.000 1.060 277 R CB 0.439 30.739 30.300 0.000 0.000 1.015 277 R HN 0.109 nan 8.270 nan 0.000 0.498 278 L N 0.317 121.547 121.223 0.012 0.000 2.322 278 L HA 0.520 4.860 4.340 -0.000 0.000 0.269 278 L C -2.220 174.676 176.870 0.044 0.000 1.012 278 L CA -2.452 52.393 54.840 0.009 0.000 0.815 278 L CB 1.485 43.529 42.059 -0.024 0.000 1.295 278 L HN -0.202 nan 8.230 nan 0.000 0.438 279 P HA 0.291 nan 4.420 nan 0.000 0.279 279 P C -2.596 174.739 177.300 0.059 0.000 1.282 279 P CA -1.345 61.781 63.100 0.044 0.000 0.788 279 P CB -0.237 31.484 31.700 0.034 0.000 1.139 280 P HA 0.073 nan 4.420 nan 0.000 0.263 280 P C 0.299 177.633 177.300 0.056 0.000 1.195 280 P CA 0.561 63.689 63.100 0.048 0.000 0.762 280 P CB 0.111 31.830 31.700 0.032 0.000 0.799 281 L N 1.985 123.248 121.223 0.067 0.000 2.375 281 L HA 0.163 4.503 4.340 -0.000 0.000 0.215 281 L C 1.667 178.576 176.870 0.066 0.000 1.108 281 L CA 0.901 55.786 54.840 0.075 0.000 0.830 281 L CB -0.562 41.560 42.059 0.105 0.000 0.959 281 L HN 0.718 nan 8.230 nan 0.000 0.457 282 G N 0.982 109.807 108.800 0.043 0.000 2.179 282 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 282 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 282 G C -0.114 174.799 174.900 0.021 0.000 0.990 282 G CA 0.059 45.184 45.100 0.043 0.000 0.646 282 G HN 0.267 nan 8.290 nan 0.000 0.517 283 I N 0.101 120.667 120.570 -0.006 0.000 2.692 283 I HA 0.546 4.716 4.170 -0.000 0.000 0.293 283 I C -0.782 175.265 176.117 -0.115 0.000 1.200 283 I CA -0.932 60.339 61.300 -0.049 0.000 1.036 283 I CB 1.853 39.856 38.000 0.006 0.000 1.258 283 I HN 0.078 nan 8.210 nan 0.000 0.421 284 E N 6.139 126.182 120.200 -0.261 0.000 2.229 284 E HA 0.313 4.663 4.350 -0.000 0.000 0.283 284 E C -1.166 175.318 176.600 -0.194 0.000 1.030 284 E CA -0.755 55.474 56.400 -0.284 0.000 0.836 284 E CB 1.114 30.507 29.700 -0.512 0.000 1.068 284 E HN 0.369 nan 8.360 nan 0.000 0.401 285 I N 4.771 125.206 120.570 -0.224 0.000 2.325 285 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 285 I C -0.370 175.601 176.117 -0.243 0.000 1.019 285 I CA -0.297 60.809 61.300 -0.322 0.000 1.302 285 I CB 1.449 38.989 38.000 -0.767 0.000 1.401 285 I HN 0.257 nan 8.210 nan 0.000 0.485 286 V N 7.789 127.593 119.914 -0.183 0.000 2.304 286 V HA 0.248 4.368 4.120 -0.000 0.000 0.262 286 V C 0.384 176.363 176.094 -0.193 0.000 1.061 286 V CA -0.946 61.276 62.300 -0.131 0.000 0.872 286 V CB -0.260 31.531 31.823 -0.054 0.000 1.077 286 V HN 0.574 nan 8.190 nan 0.000 0.480 287 K N 3.407 123.661 120.400 -0.244 0.000 2.322 287 K HA 0.569 4.889 4.320 -0.000 0.000 0.283 287 K C -0.519 176.015 176.600 -0.109 0.000 1.042 287 K CA -0.204 55.864 56.287 -0.365 0.000 0.958 287 K CB 1.927 34.075 32.500 -0.587 0.000 0.984 287 K HN 0.443 nan 8.250 nan 0.000 0.473 288 V N 2.178 122.134 119.914 0.069 0.000 2.686 288 V HA 0.581 4.701 4.120 -0.000 0.000 0.306 288 V C 0.120 176.435 176.094 0.368 0.000 1.065 288 V CA -0.388 62.030 62.300 0.198 0.000 0.894 288 V CB 1.660 33.589 31.823 0.175 0.000 1.004 288 V HN 0.899 nan 8.190 nan 0.000 0.424 289 G N 3.953 112.938 108.800 0.309 0.000 2.485 289 G HA2 0.601 4.561 3.960 -0.000 0.000 0.260 289 G HA3 0.601 4.561 3.960 -0.000 0.000 0.260 289 G C 0.356 175.375 174.900 0.199 0.000 1.459 289 G CA -0.252 45.054 45.100 0.344 0.000 1.060 289 G HN 1.644 nan 8.290 nan 0.000 0.546 290 A N -1.481 121.472 122.820 0.222 0.000 2.511 290 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 290 A C -0.189 177.325 177.584 -0.117 0.000 1.069 290 A CA 0.004 52.123 52.037 0.137 0.000 0.763 290 A CB 0.304 19.483 19.000 0.298 0.000 1.001 290 A HN 0.720 nan 8.150 nan 0.000 0.498 291 V N 3.560 123.345 119.914 -0.216 0.000 2.495 291 V HA 0.712 4.832 4.120 -0.000 0.000 0.298 291 V C -0.479 175.345 176.094 -0.449 0.000 1.031 291 V CA -0.163 61.784 62.300 -0.589 0.000 0.871 291 V CB 0.667 32.228 31.823 -0.436 0.000 0.988 291 V HN 0.891 nan 8.190 nan 0.000 0.432 292 F N 1.267 121.101 119.950 -0.193 0.000 2.869 292 F HA 0.618 5.145 4.527 -0.000 0.000 0.325 292 F C -0.568 175.173 175.800 -0.098 0.000 1.184 292 F CA -1.240 56.687 58.000 -0.122 0.000 0.951 292 F CB 1.269 40.228 39.000 -0.069 0.000 1.421 292 F HN 0.521 nan 8.300 nan 0.000 0.501 293 H N 0.428 119.638 119.070 0.233 0.000 2.463 293 H HA 0.594 5.150 4.556 -0.000 0.000 0.332 293 H C -1.488 173.968 175.328 0.214 0.000 1.127 293 H CA -0.522 55.603 56.048 0.129 0.000 1.238 293 H CB 1.759 31.541 29.762 0.034 0.000 1.478 293 H HN 0.946 nan 8.280 nan 0.000 0.499 294 C N 9.070 128.027 119.300 -0.571 0.000 2.522 294 C HA 0.292 4.752 4.460 -0.000 0.000 0.344 294 C C -1.577 173.156 174.990 -0.428 0.000 1.104 294 C CA -1.550 57.305 59.018 -0.272 0.000 1.317 294 C CB 1.007 28.770 27.740 0.039 0.000 1.896 294 C HN 0.710 nan 8.230 nan 0.000 0.443 295 P HA -0.112 nan 4.420 nan 0.000 0.217 295 P C 1.519 178.750 177.300 -0.115 0.000 1.150 295 P CA 1.468 64.539 63.100 -0.050 0.000 0.832 295 P CB 0.300 32.035 31.700 0.058 0.000 0.787 296 L N -0.702 120.397 121.223 -0.206 0.000 2.044 296 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 296 L C 3.033 179.800 176.870 -0.173 0.000 1.075 296 L CA 1.400 56.059 54.840 -0.301 0.000 0.747 296 L CB -1.232 40.365 42.059 -0.770 0.000 0.903 296 L HN 0.032 nan 8.230 nan 0.000 0.435 297 C N 0.002 119.246 119.300 -0.093 0.000 2.435 297 C HA 0.046 4.506 4.460 -0.000 0.000 0.279 297 C C 1.672 176.646 174.990 -0.026 0.000 1.321 297 C CA 0.973 60.007 59.018 0.028 0.000 1.752 297 C CB -1.146 26.640 27.740 0.077 0.000 1.959 297 C HN 0.859 nan 8.230 nan 0.000 0.500 298 G N -0.731 108.019 108.800 -0.084 0.000 2.215 298 G HA2 0.387 4.347 3.960 -0.000 0.000 0.198 298 G HA3 0.387 4.347 3.960 -0.000 0.000 0.198 298 G C 0.245 175.102 174.900 -0.073 0.000 1.047 298 G CA 0.083 45.147 45.100 -0.061 0.000 0.747 298 G HN 1.436 nan 8.290 nan 0.000 0.495 299 G N -1.231 107.439 108.800 -0.217 0.000 2.320 299 G HA2 0.423 4.383 3.960 -0.000 0.000 0.274 299 G HA3 0.423 4.383 3.960 -0.000 0.000 0.274 299 G C -0.752 174.011 174.900 -0.228 0.000 1.324 299 G CA -0.186 44.815 45.100 -0.165 0.000 0.957 299 G HN 1.032 nan 8.290 nan 0.000 0.481 300 I N 2.167 122.695 120.570 -0.069 0.000 2.505 300 I HA 0.523 4.693 4.170 -0.000 0.000 0.287 300 I C 1.052 177.014 176.117 -0.259 0.000 1.104 300 I CA 1.127 62.341 61.300 -0.143 0.000 1.387 300 I CB 0.582 38.545 38.000 -0.063 0.000 1.404 300 I HN 1.007 nan 8.210 nan 0.000 0.528 301 A N 4.672 127.220 122.820 -0.453 0.000 2.470 301 A HA 0.957 5.277 4.320 -0.000 0.000 0.271 301 A C -0.295 176.680 177.584 -1.014 0.000 1.269 301 A CA -0.186 51.554 52.037 -0.496 0.000 0.828 301 A CB 1.516 20.418 19.000 -0.162 0.000 1.374 301 A HN 0.609 nan 8.150 nan 0.000 0.454 302 S N -1.793 113.479 115.700 -0.713 0.000 2.697 302 S HA 0.414 4.884 4.470 -0.000 0.000 0.289 302 S C 0.497 174.958 174.600 -0.232 0.000 1.149 302 S CA 0.306 58.072 58.200 -0.723 0.000 0.850 302 S CB 1.373 64.356 63.200 -0.362 0.000 1.151 302 S HN 0.777 nan 8.310 nan 0.000 0.491 303 E N 0.000 120.196 120.200 -0.007 0.000 2.267 303 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 303 E C 1.143 177.816 176.600 0.121 0.000 0.998 303 E CA 0.802 57.341 56.400 0.231 0.000 0.830 303 E CB 0.051 29.894 29.700 0.238 0.000 0.751 303 E HN 0.425 nan 8.360 nan 0.000 0.491 304 R N -0.705 119.834 120.500 0.065 0.000 2.300 304 R HA 0.036 4.376 4.340 -0.000 0.000 0.199 304 R C 1.769 178.092 176.300 0.039 0.000 0.920 304 R CA 1.085 57.216 56.100 0.052 0.000 1.046 304 R CB 0.276 30.610 30.300 0.057 0.000 0.984 304 R HN 0.247 nan 8.270 nan 0.000 0.493 305 T N -4.398 110.176 114.554 0.033 0.000 2.958 305 T HA 0.139 4.489 4.350 -0.000 0.000 0.256 305 T C 0.807 175.533 174.700 0.043 0.000 0.983 305 T CA -0.371 61.748 62.100 0.032 0.000 0.924 305 T CB -0.091 68.797 68.868 0.033 0.000 1.136 305 T HN 0.092 nan 8.240 nan 0.000 0.506 306 C N 5.341 124.695 119.300 0.090 0.000 2.295 306 C HA 0.693 5.153 4.460 -0.000 0.000 0.331 306 C C -2.243 172.752 174.990 0.009 0.000 1.280 306 C CA -2.405 56.688 59.018 0.125 0.000 1.746 306 C CB 0.595 28.558 27.740 0.373 0.000 2.328 306 C HN 0.376 nan 8.230 nan 0.000 0.521 307 P HA 0.136 nan 4.420 nan 0.000 0.272 307 P C 0.371 177.564 177.300 -0.180 0.000 1.223 307 P CA 0.400 63.368 63.100 -0.219 0.000 0.784 307 P CB 0.749 32.235 31.700 -0.356 0.000 0.923 308 E N 2.374 122.513 120.200 -0.102 0.000 2.130 308 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 308 E C 2.111 178.675 176.600 -0.061 0.000 0.998 308 E CA 2.207 58.567 56.400 -0.066 0.000 0.806 308 E CB -1.232 28.440 29.700 -0.047 0.000 0.738 308 E HN 0.701 nan 8.360 nan 0.000 0.459 309 G N -1.473 107.278 108.800 -0.081 0.000 2.535 309 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 309 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 309 G C 1.028 175.992 174.900 0.107 0.000 1.122 309 G CA 0.890 45.983 45.100 -0.010 0.000 0.769 309 G HN 0.470 nan 8.290 nan 0.000 0.549 310 H N -1.298 117.748 119.070 -0.041 0.000 2.575 310 H HA 0.206 4.762 4.556 -0.000 0.000 0.267 310 H C 2.464 177.729 175.328 -0.104 0.000 0.966 310 H CA -0.259 55.756 56.048 -0.055 0.000 1.165 310 H CB 0.468 30.208 29.762 -0.037 0.000 1.433 310 H HN 0.220 nan 8.280 nan 0.000 0.544 311 R N 1.578 122.073 120.500 -0.010 0.000 2.143 311 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 311 R C 1.224 177.457 176.300 -0.112 0.000 1.126 311 R CA 1.881 57.911 56.100 -0.117 0.000 0.927 311 R CB 0.014 30.256 30.300 -0.096 0.000 0.860 311 R HN 0.285 nan 8.270 nan 0.000 0.433 312 E N 0.258 120.422 120.200 -0.059 0.000 2.501 312 E HA -0.161 4.189 4.350 -0.000 0.000 0.203 312 E C 1.096 177.665 176.600 -0.051 0.000 1.072 312 E CA 0.951 57.320 56.400 -0.052 0.000 0.885 312 E CB 0.051 29.733 29.700 -0.030 0.000 0.813 312 E HN 0.221 nan 8.360 nan 0.000 0.556 313 K N -0.252 120.112 120.400 -0.059 0.000 2.380 313 K HA 0.166 4.486 4.320 -0.000 0.000 0.198 313 K C 0.344 176.917 176.600 -0.044 0.000 1.070 313 K CA -0.033 56.227 56.287 -0.046 0.000 1.040 313 K CB 0.615 33.081 32.500 -0.056 0.000 0.903 313 K HN -0.049 nan 8.250 nan 0.000 0.549 314 R N 0.270 120.697 120.500 -0.122 0.000 2.694 314 R HA 0.162 4.502 4.340 -0.000 0.000 0.268 314 R C -0.414 175.853 176.300 -0.054 0.000 1.061 314 R CA 0.575 56.573 56.100 -0.170 0.000 1.133 314 R CB 0.470 30.409 30.300 -0.602 0.000 1.020 314 R HN -0.124 nan 8.270 nan 0.000 0.475 315 T N 1.587 116.179 114.554 0.063 0.000 2.991 315 T HA 0.317 4.667 4.350 -0.000 0.000 0.347 315 T C -0.066 174.687 174.700 0.088 0.000 1.122 315 T CA -0.649 61.492 62.100 0.067 0.000 1.062 315 T CB 1.306 70.225 68.868 0.084 0.000 1.043 315 T HN 0.718 nan 8.240 nan 0.000 0.491 316 A N 3.683 126.529 122.820 0.044 0.000 2.586 316 A HA 0.421 4.741 4.320 -0.000 0.000 0.231 316 A C 0.163 177.755 177.584 0.013 0.000 1.055 316 A CA 0.137 52.211 52.037 0.062 0.000 0.756 316 A CB -0.170 18.848 19.000 0.030 0.000 0.988 316 A HN 0.862 nan 8.150 nan 0.000 0.509 317 I N 1.612 122.163 120.570 -0.032 0.000 2.410 317 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 317 I C 0.123 176.149 176.117 -0.152 0.000 1.009 317 I CA 0.014 61.207 61.300 -0.178 0.000 1.111 317 I CB 1.728 39.491 38.000 -0.396 0.000 1.262 317 I HN 0.560 nan 8.210 nan 0.000 0.443 318 S N 5.145 120.816 115.700 -0.047 0.000 2.548 318 S HA 0.371 4.841 4.470 -0.000 0.000 0.276 318 S C 0.229 174.937 174.600 0.180 0.000 1.129 318 S CA -0.584 57.674 58.200 0.097 0.000 0.931 318 S CB 1.714 64.959 63.200 0.074 0.000 1.068 318 S HN 0.657 nan 8.310 nan 0.000 0.480 319 M N 4.049 123.821 119.600 0.288 0.000 2.557 319 M HA 0.037 4.517 4.480 -0.000 0.000 0.259 319 M C 1.934 178.335 176.300 0.169 0.000 1.086 319 M CA 1.869 57.339 55.300 0.283 0.000 1.096 319 M CB -0.544 32.242 32.600 0.310 0.000 1.424 319 M HN 0.886 nan 8.290 nan 0.000 0.488 320 T N -2.317 112.308 114.554 0.118 0.000 2.668 320 T HA -0.014 4.336 4.350 -0.000 0.000 0.258 320 T C 2.117 176.844 174.700 0.046 0.000 1.051 320 T CA 2.037 64.173 62.100 0.060 0.000 1.155 320 T CB -0.921 67.977 68.868 0.050 0.000 0.864 320 T HN 0.353 nan 8.240 nan 0.000 0.413 321 K N 1.530 121.961 120.400 0.050 0.000 2.034 321 K HA -0.090 4.230 4.320 -0.000 0.000 0.214 321 K C 2.627 179.255 176.600 0.047 0.000 1.051 321 K CA 2.163 58.472 56.287 0.036 0.000 0.931 321 K CB -1.824 30.693 32.500 0.030 0.000 0.715 321 K HN 0.423 nan 8.250 nan 0.000 0.446 322 V N 0.624 120.584 119.914 0.077 0.000 2.217 322 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 322 V C 3.118 179.276 176.094 0.106 0.000 1.050 322 V CA 3.670 66.031 62.300 0.102 0.000 1.007 322 V CB -1.495 30.426 31.823 0.162 0.000 0.639 322 V HN 0.875 nan 8.190 nan 0.000 0.452 323 R N 0.351 120.919 120.500 0.114 0.000 2.162 323 R HA -0.150 4.190 4.340 -0.000 0.000 0.245 323 R C 1.767 178.062 176.300 -0.008 0.000 1.129 323 R CA 2.220 58.323 56.100 0.005 0.000 0.940 323 R CB -1.799 28.387 30.300 -0.190 0.000 0.875 323 R HN 0.908 nan 8.270 nan 0.000 0.437 324 A N -0.460 122.356 122.820 -0.008 0.000 3.091 324 A HA 0.584 4.904 4.320 -0.000 0.000 0.264 324 A C 0.511 178.101 177.584 0.011 0.000 1.673 324 A CA 0.285 52.318 52.037 -0.007 0.000 1.362 324 A CB -0.070 18.923 19.000 -0.013 0.000 1.137 324 A HN 0.938 nan 8.150 nan 0.000 0.617 325 L N 0.217 121.453 121.223 0.023 0.000 4.241 325 L HA 0.363 4.703 4.340 -0.000 0.000 0.426 325 L C -1.305 175.584 176.870 0.032 0.000 1.173 325 L CA 0.440 55.295 54.840 0.025 0.000 1.461 325 L CB -0.132 41.943 42.059 0.027 0.000 1.481 325 L HN 0.374 nan 8.230 nan 0.000 0.591 329 G N 1.941 110.751 108.800 0.017 0.000 2.220 329 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.269 329 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.269 329 G C 0.633 175.542 174.900 0.014 0.000 0.977 329 G CA 1.041 46.151 45.100 0.016 0.000 0.634 329 G HN 0.145 nan 8.290 nan 0.000 0.539 330 K N 0.226 120.635 120.400 0.014 0.000 2.545 330 K HA 0.667 4.987 4.320 -0.000 0.000 0.269 330 K C 0.478 177.086 176.600 0.013 0.000 1.071 330 K CA 0.534 56.827 56.287 0.011 0.000 0.919 330 K CB 0.141 32.646 32.500 0.009 0.000 1.169 330 K HN 1.115 nan 8.250 nan 0.000 0.493 331 A N 1.300 124.125 122.820 0.008 0.000 2.442 331 A HA 0.447 4.767 4.320 -0.000 0.000 0.284 331 A C -2.628 174.956 177.584 -0.000 0.000 1.058 331 A CA -1.354 50.687 52.037 0.006 0.000 0.738 331 A CB 0.953 19.954 19.000 0.001 0.000 1.242 331 A HN 0.280 nan 8.150 nan 0.000 0.421 332 P HA 0.344 nan 4.420 nan 0.000 0.267 332 P C -2.365 174.919 177.300 -0.027 0.000 1.209 332 P CA -0.313 62.784 63.100 -0.005 0.000 0.763 332 P CB -0.027 31.679 31.700 0.011 0.000 0.816 333 P HA -0.011 nan 4.420 nan 0.000 0.267 333 P C 0.772 178.025 177.300 -0.078 0.000 1.201 333 P CA 0.312 63.372 63.100 -0.066 0.000 0.775 333 P CB 0.412 32.058 31.700 -0.090 0.000 0.854 334 S N 0.571 116.221 115.700 -0.083 0.000 2.399 334 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 334 S C 0.986 175.524 174.600 -0.103 0.000 1.022 334 S CA 1.097 59.249 58.200 -0.080 0.000 0.983 334 S CB -0.537 62.626 63.200 -0.062 0.000 0.803 334 S HN 0.661 nan 8.310 nan 0.000 0.480 335 E N 1.394 121.491 120.200 -0.171 0.000 2.545 335 E HA 0.294 4.644 4.350 -0.000 0.000 0.271 335 E C 0.603 177.114 176.600 -0.149 0.000 1.508 335 E CA 0.293 56.550 56.400 -0.237 0.000 1.774 335 E CB -0.353 28.890 29.700 -0.762 0.000 1.460 335 E HN 0.446 nan 8.360 nan 0.000 0.449 336 L N -1.488 119.675 121.223 -0.100 0.000 3.760 336 L HA 0.208 4.548 4.340 -0.000 0.000 0.405 336 L C 0.145 176.967 176.870 -0.081 0.000 0.943 336 L CA 0.112 54.892 54.840 -0.100 0.000 1.739 336 L CB 0.270 42.275 42.059 -0.090 0.000 2.459 336 L HN 0.068 nan 8.230 nan 0.000 0.586 337 V N 0.734 120.607 119.914 -0.068 0.000 2.891 337 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 337 V C -0.322 175.712 176.094 -0.100 0.000 1.171 337 V CA -0.989 61.275 62.300 -0.061 0.000 0.943 337 V CB 1.817 33.624 31.823 -0.026 0.000 1.037 337 V HN 0.533 nan 8.190 nan 0.000 0.427 338 R N 4.242 124.646 120.500 -0.160 0.000 2.404 338 R HA 0.155 4.495 4.340 -0.000 0.000 0.315 338 R C -1.681 174.530 176.300 -0.149 0.000 1.032 338 R CA -1.248 54.720 56.100 -0.221 0.000 0.992 338 R CB 0.836 30.863 30.300 -0.455 0.000 0.959 338 R HN 0.465 nan 8.270 nan 0.000 0.428 339 P HA -0.210 nan 4.420 nan 0.000 0.216 339 P C 0.235 177.516 177.300 -0.033 0.000 1.154 339 P CA 1.290 64.363 63.100 -0.045 0.000 0.865 339 P CB 0.282 31.970 31.700 -0.019 0.000 0.789 340 E N -1.320 118.866 120.200 -0.022 0.000 2.510 340 E HA -0.069 4.281 4.350 -0.000 0.000 0.202 340 E C 1.313 177.905 176.600 -0.014 0.000 1.072 340 E CA 0.633 57.050 56.400 0.028 0.000 0.883 340 E CB -0.738 29.059 29.700 0.162 0.000 0.818 340 E HN 0.324 nan 8.360 nan 0.000 0.548 341 L N -0.659 120.521 121.223 -0.072 0.000 2.766 341 L HA 0.108 4.448 4.340 -0.000 0.000 0.242 341 L C 0.969 177.790 176.870 -0.082 0.000 1.136 341 L CA -0.225 54.559 54.840 -0.094 0.000 0.933 341 L CB 0.206 42.171 42.059 -0.156 0.000 1.241 341 L HN 0.148 nan 8.230 nan 0.000 0.522 342 L N 0.916 122.108 121.223 -0.050 0.000 2.027 342 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 342 L C -0.268 176.589 176.870 -0.020 0.000 1.074 342 L CA 2.106 56.928 54.840 -0.030 0.000 0.745 342 L CB -1.738 40.313 42.059 -0.012 0.000 0.898 342 L HN 0.082 nan 8.230 nan 0.000 0.433 343 P HA -0.155 nan 4.420 nan 0.000 0.220 343 P C 1.828 179.122 177.300 -0.011 0.000 1.144 343 P CA 1.444 64.542 63.100 -0.004 0.000 0.800 343 P CB 0.061 31.762 31.700 0.001 0.000 0.772 344 I N -2.324 118.224 120.570 -0.038 0.000 2.731 344 I HA -0.072 4.098 4.170 -0.000 0.000 0.260 344 I C 2.067 178.126 176.117 -0.097 0.000 1.138 344 I CA 0.620 61.884 61.300 -0.059 0.000 1.461 344 I CB -0.368 37.581 38.000 -0.084 0.000 1.128 344 I HN -0.129 nan 8.210 nan 0.000 0.438 345 L N 0.498 121.643 121.223 -0.130 0.000 2.141 345 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 345 L C 2.740 179.640 176.870 0.050 0.000 1.094 345 L CA 1.232 55.965 54.840 -0.178 0.000 0.763 345 L CB -0.527 41.452 42.059 -0.134 0.000 0.908 345 L HN 0.190 nan 8.230 nan 0.000 0.437 346 R N 0.277 120.808 120.500 0.052 0.000 2.066 346 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 346 R C 1.246 177.602 176.300 0.093 0.000 1.131 346 R CA 0.564 56.716 56.100 0.086 0.000 0.955 346 R CB -0.265 30.067 30.300 0.052 0.000 0.851 346 R HN 0.448 nan 8.270 nan 0.000 0.432 347 R N 0.000 120.537 120.500 0.062 0.000 2.786 347 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 347 R CA 0.000 56.138 56.100 0.063 0.000 0.921 347 R CB 0.000 30.324 30.300 0.041 0.000 0.687 347 R HN 0.000 nan 8.270 nan 0.000 0.535