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 1mxa_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKHLFTSESV SEGHPDKIAD QISDAVLDAI LEQDPKARVA CETYVKTGMV DATA SEQUENCE LVGGEITTSA WVDIEEITRN TVREIGYVHS DMGFDANSCA VLSAIGKQSP DATA SEQUENCE DIXXXXXRAD PLEQGAGDQG LMFGYATNET DVLMPAPITY AHRLVQRQAE DATA SEQUENCE VRKNGTLPWL RPDAKSQVTF QYDDGKIVGI DAVVLSTQHS EEIDQKSLQE DATA SEQUENCE AVMEEIIKPI LPAEWLTSAT KFFINPTGRF VIGGPMGDCG LTGRKIIVDT DATA SEQUENCE YGGMARHGGG AFSGKDPSKV DRSAAYAARY VAKNIVAAGL ADRCEIQVSY DATA SEQUENCE AIGVAEPTSI MVETFGTEKV PSEQLTLLVR EFFDLRPYGL IQMLDLLHPI DATA SEQUENCE YKETAAYGHF GREHFPWEKT DKAQLLRDAA GLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.711 177.584 0.211 0.000 1.274 1 A CA 0.000 52.115 52.037 0.129 0.000 0.836 1 A CB 0.000 19.071 19.000 0.118 0.000 0.831 2 K N 3.616 124.091 120.400 0.126 0.000 2.380 2 K HA 0.176 nan 4.320 nan 0.000 0.267 2 K C -0.530 176.165 176.600 0.158 0.000 0.990 2 K CA 0.640 56.961 56.287 0.056 0.000 0.946 2 K CB 0.687 33.202 32.500 0.025 0.000 0.937 2 K HN 0.409 8.713 8.250 0.091 0.000 0.491 3 H N -2.925 116.190 119.070 0.075 0.000 3.057 3 H HA 0.108 nan 4.556 nan 0.000 0.308 3 H C -2.406 172.991 175.328 0.116 0.000 1.276 3 H CA -0.850 55.237 56.048 0.065 0.000 1.325 3 H CB 0.933 30.712 29.762 0.030 0.000 1.963 3 H HN 0.596 8.649 8.280 -0.379 0.000 0.524 4 L N 0.884 122.172 121.223 0.109 0.000 2.331 4 L HA 0.738 nan 4.340 nan 0.000 0.275 4 L C -1.393 175.604 176.870 0.212 0.000 1.022 4 L CA -1.069 53.848 54.840 0.127 0.000 0.812 4 L CB 2.440 44.543 42.059 0.073 0.000 1.257 4 L HN 0.285 8.605 8.230 0.151 0.000 0.435 5 F N 3.382 123.385 119.950 0.089 0.000 2.601 5 F HA 0.373 nan 4.527 nan 0.000 0.309 5 F C -2.341 173.513 175.800 0.091 0.000 1.089 5 F CA -0.468 57.555 58.000 0.039 0.000 0.940 5 F CB 4.438 43.394 39.000 -0.074 0.000 1.273 5 F HN 0.684 9.185 8.300 0.335 0.000 0.450 6 T N 8.135 122.244 114.554 -0.742 0.000 2.893 6 T HA 0.633 nan 4.350 nan 0.000 0.291 6 T C -1.754 172.733 174.700 -0.356 0.000 1.028 6 T CA -1.113 60.787 62.100 -0.334 0.000 0.995 6 T CB 2.236 70.959 68.868 -0.242 0.000 1.051 6 T HN -0.007 7.360 8.240 -1.455 0.000 0.470 7 S N 1.314 116.975 115.700 -0.066 0.000 2.564 7 S HA 0.404 nan 4.470 nan 0.000 0.274 7 S C -2.254 172.346 174.600 0.001 0.000 1.124 7 S CA -0.920 57.269 58.200 -0.018 0.000 0.869 7 S CB 3.535 66.782 63.200 0.077 0.000 1.105 7 S HN 0.409 8.736 8.310 0.029 0.000 0.472 8 E N 1.728 121.916 120.200 -0.021 0.000 2.227 8 E HA 0.637 nan 4.350 nan 0.000 0.268 8 E C -1.962 174.628 176.600 -0.016 0.000 0.907 8 E CA -1.915 54.478 56.400 -0.012 0.000 0.786 8 E CB 2.651 32.328 29.700 -0.039 0.000 1.191 8 E HN 0.179 8.520 8.360 -0.032 0.000 0.411 9 S N 3.251 118.966 115.700 0.024 0.000 2.618 9 S HA 0.458 nan 4.470 nan 0.000 0.277 9 S C -2.654 171.998 174.600 0.087 0.000 1.138 9 S CA -1.650 56.590 58.200 0.066 0.000 0.844 9 S CB 3.264 66.546 63.200 0.136 0.000 1.127 9 S HN 0.705 8.940 8.310 0.051 0.106 0.474 10 V N -5.262 114.708 119.914 0.094 0.000 3.102 10 V HA 0.840 nan 4.120 nan 0.000 0.312 10 V C -1.606 174.596 176.094 0.181 0.000 1.135 10 V CA -3.605 58.739 62.300 0.074 0.000 1.022 10 V CB 3.495 35.206 31.823 -0.188 0.000 1.056 10 V HN 0.252 8.525 8.190 0.137 0.000 0.436 11 S N 0.119 115.957 115.700 0.231 0.000 2.707 11 S HA 0.344 nan 4.470 nan 0.000 0.276 11 S C 0.181 174.845 174.600 0.106 0.000 1.179 11 S CA -1.163 57.199 58.200 0.271 0.000 0.992 11 S CB 2.236 65.610 63.200 0.289 0.000 1.030 11 S HN 0.156 8.611 8.310 0.242 0.000 0.554 12 E N -0.371 119.827 120.200 -0.003 0.000 2.534 12 E HA -0.494 nan 4.350 nan 0.000 0.264 12 E C 0.798 177.477 176.600 0.130 0.000 0.981 12 E CA 0.925 57.336 56.400 0.020 0.000 0.948 12 E CB -0.574 29.159 29.700 0.054 0.000 0.934 12 E HN -0.333 8.017 8.360 -0.016 0.000 0.459 13 G N 3.799 112.701 108.800 0.169 0.000 2.225 13 G HA2 -0.476 nan 3.960 nan 0.000 0.254 13 G HA3 -0.476 nan 3.960 nan 0.000 0.254 13 G C -0.244 174.811 174.900 0.258 0.000 0.988 13 G CA 0.288 45.571 45.100 0.304 0.000 0.625 13 G HN 0.214 8.715 8.290 0.135 -0.130 0.527 14 H N 4.394 123.541 119.070 0.128 0.000 2.764 14 H HA 0.179 nan 4.556 nan 0.000 0.341 14 H C -1.174 174.166 175.328 0.020 0.000 1.072 14 H CA -0.751 55.354 56.048 0.094 0.000 1.444 14 H CB 1.492 31.302 29.762 0.081 0.000 1.458 14 H HN -0.397 7.860 8.280 0.267 0.183 0.572 15 P HA -0.234 nan 4.420 nan 0.000 0.215 15 P C 0.508 177.735 177.300 -0.121 0.000 1.157 15 P CA 3.062 65.975 63.100 -0.311 0.000 0.874 15 P CB 0.250 31.712 31.700 -0.397 0.000 0.790 16 D N -4.251 116.175 120.400 0.042 0.000 2.219 16 D HA -0.232 nan 4.640 nan 0.000 0.205 16 D C 2.122 178.463 176.300 0.068 0.000 0.970 16 D CA 3.475 57.510 54.000 0.058 0.000 0.851 16 D CB -1.261 39.572 40.800 0.055 0.000 0.943 16 D HN 0.378 8.793 8.370 0.076 0.000 0.488 17 K N -1.090 119.390 120.400 0.133 0.000 2.288 17 K HA -0.091 nan 4.320 nan 0.000 0.201 17 K C 2.013 178.641 176.600 0.046 0.000 1.048 17 K CA 1.475 57.804 56.287 0.070 0.000 0.956 17 K CB -0.489 32.048 32.500 0.062 0.000 0.746 17 K HN -0.347 8.040 8.250 0.266 0.023 0.461 18 I N 0.283 120.874 120.570 0.035 0.000 2.252 18 I HA -0.453 nan 4.170 nan 0.000 0.245 18 I C 1.163 177.296 176.117 0.027 0.000 1.102 18 I CA 3.721 65.039 61.300 0.031 0.000 1.385 18 I CB -0.414 37.574 38.000 -0.020 0.000 1.064 18 I HN -0.470 7.617 8.210 0.026 0.138 0.414 19 A N -0.251 122.571 122.820 0.002 0.000 1.902 19 A HA -0.405 nan 4.320 nan 0.000 0.217 19 A C 1.771 179.374 177.584 0.032 0.000 1.181 19 A CA 3.578 55.623 52.037 0.013 0.000 0.623 19 A CB -1.093 17.899 19.000 -0.013 0.000 0.818 19 A HN -0.139 7.999 8.150 -0.019 0.001 0.443 20 D N -1.240 119.180 120.400 0.034 0.000 2.092 20 D HA -0.363 nan 4.640 nan 0.000 0.193 20 D C 2.604 178.941 176.300 0.062 0.000 0.994 20 D CA 3.631 57.662 54.000 0.052 0.000 0.828 20 D CB -0.402 40.433 40.800 0.059 0.000 0.963 20 D HN 0.053 8.383 8.370 0.028 0.056 0.450 21 Q N -0.547 119.285 119.800 0.054 0.000 2.050 21 Q HA -0.320 nan 4.340 nan 0.000 0.202 21 Q C 2.867 178.909 176.000 0.070 0.000 0.980 21 Q CA 3.094 58.932 55.803 0.059 0.000 0.840 21 Q CB 0.179 28.948 28.738 0.051 0.000 0.898 21 Q HN -0.221 8.076 8.270 0.045 0.000 0.424 22 I N 0.137 120.749 120.570 0.069 0.000 2.163 22 I HA -0.602 nan 4.170 nan 0.000 0.243 22 I C 1.965 178.122 176.117 0.066 0.000 1.085 22 I CA 4.071 65.415 61.300 0.073 0.000 1.347 22 I CB -0.407 37.639 38.000 0.077 0.000 1.044 22 I HN 0.288 8.537 8.210 0.064 0.000 0.408 23 S N 0.607 116.343 115.700 0.059 0.000 2.359 23 S HA -0.408 nan 4.470 nan 0.000 0.223 23 S C 2.394 177.028 174.600 0.057 0.000 1.039 23 S CA 4.237 62.467 58.200 0.050 0.000 1.042 23 S CB -0.652 62.573 63.200 0.041 0.000 0.915 23 S HN -0.368 7.976 8.310 0.057 0.000 0.439 24 D N 1.048 121.493 120.400 0.075 0.000 2.219 24 D HA -0.165 nan 4.640 nan 0.000 0.205 24 D C 1.943 178.309 176.300 0.110 0.000 0.970 24 D CA 3.034 57.095 54.000 0.102 0.000 0.851 24 D CB -0.427 40.456 40.800 0.137 0.000 0.943 24 D HN -0.342 8.075 8.370 0.077 0.000 0.488 25 A N 0.053 122.928 122.820 0.092 0.000 1.902 25 A HA -0.211 nan 4.320 nan 0.000 0.217 25 A C 2.294 179.926 177.584 0.080 0.000 1.181 25 A CA 3.315 55.405 52.037 0.088 0.000 0.623 25 A CB -0.554 18.494 19.000 0.080 0.000 0.818 25 A HN 0.124 8.224 8.150 0.084 0.101 0.443 26 V N 0.292 120.247 119.914 0.068 0.000 2.307 26 V HA -0.369 nan 4.120 nan 0.000 0.245 26 V C 1.698 177.824 176.094 0.053 0.000 1.045 26 V CA 4.105 66.439 62.300 0.056 0.000 1.024 26 V CB -0.869 30.982 31.823 0.045 0.000 0.651 26 V HN -0.192 7.958 8.190 0.067 0.080 0.449 27 L N -0.478 120.777 121.223 0.053 0.000 1.990 27 L HA -0.472 nan 4.340 nan 0.000 0.213 27 L C 1.407 178.333 176.870 0.093 0.000 1.072 27 L CA 3.539 58.410 54.840 0.050 0.000 0.755 27 L CB -0.799 41.280 42.059 0.033 0.000 0.889 27 L HN 0.065 8.329 8.230 0.055 0.000 0.432 28 D N -1.106 119.374 120.400 0.134 0.000 2.104 28 D HA -0.422 nan 4.640 nan 0.000 0.194 28 D C 2.314 178.675 176.300 0.101 0.000 0.994 28 D CA 3.630 57.717 54.000 0.145 0.000 0.830 28 D CB -0.737 40.149 40.800 0.142 0.000 0.959 28 D HN 0.165 8.619 8.370 0.140 0.000 0.452 29 A N -1.178 121.692 122.820 0.083 0.000 1.948 29 A HA -0.248 nan 4.320 nan 0.000 0.220 29 A C 2.360 179.980 177.584 0.060 0.000 1.177 29 A CA 2.871 54.950 52.037 0.070 0.000 0.636 29 A CB -0.518 18.522 19.000 0.066 0.000 0.815 29 A HN -0.394 7.807 8.150 0.085 0.000 0.449 30 I N -2.298 118.301 120.570 0.049 0.000 2.235 30 I HA -0.363 nan 4.170 nan 0.000 0.241 30 I C 1.708 177.845 176.117 0.033 0.000 1.085 30 I CA 3.703 65.019 61.300 0.026 0.000 1.378 30 I CB 0.340 38.342 38.000 0.003 0.000 1.076 30 I HN -0.654 7.566 8.210 0.053 0.021 0.415 31 L N -0.315 120.940 121.223 0.053 0.000 2.129 31 L HA -0.427 nan 4.340 nan 0.000 0.212 31 L C 1.992 178.898 176.870 0.061 0.000 1.087 31 L CA 3.001 57.878 54.840 0.061 0.000 0.757 31 L CB -0.570 41.555 42.059 0.111 0.000 0.896 31 L HN -0.144 8.067 8.230 0.065 0.058 0.434 32 E N -1.725 118.517 120.200 0.070 0.000 2.153 32 E HA -0.298 nan 4.350 nan 0.000 0.194 32 E C 1.444 178.078 176.600 0.057 0.000 0.988 32 E CA 2.242 58.683 56.400 0.069 0.000 0.811 32 E CB 0.230 29.972 29.700 0.070 0.000 0.746 32 E HN 0.060 8.443 8.360 0.075 0.022 0.466 33 Q N -3.200 116.628 119.800 0.048 0.000 2.349 33 Q HA -0.019 nan 4.340 nan 0.000 0.209 33 Q C -0.164 175.852 176.000 0.026 0.000 0.920 33 Q CA 0.938 56.766 55.803 0.042 0.000 0.901 33 Q CB 2.278 31.043 28.738 0.045 0.000 1.021 33 Q HN -0.487 7.675 8.270 0.046 0.136 0.519 34 D N -2.019 118.390 120.400 0.014 0.000 2.336 34 D HA 0.429 nan 4.640 nan 0.000 0.248 34 D C -1.612 174.686 176.300 -0.002 0.000 1.326 34 D CA -2.613 51.387 54.000 -0.000 0.000 0.973 34 D CB 0.969 41.758 40.800 -0.019 0.000 1.255 34 D HN -0.308 8.073 8.370 0.019 0.000 0.558 35 P HA -0.154 nan 4.420 nan 0.000 0.222 35 P C -0.165 177.124 177.300 -0.018 0.000 1.147 35 P CA 1.186 64.273 63.100 -0.022 0.000 0.790 35 P CB 0.477 32.144 31.700 -0.056 0.000 0.780 36 K N -4.752 115.642 120.400 -0.011 0.000 2.387 36 K HA 0.092 nan 4.320 nan 0.000 0.198 36 K C -0.524 176.070 176.600 -0.009 0.000 1.022 36 K CA -1.125 55.161 56.287 -0.002 0.000 1.128 36 K CB 0.084 32.589 32.500 0.008 0.000 0.853 36 K HN -0.635 7.776 8.250 -0.011 -0.167 0.523 37 A N -0.258 122.550 122.820 -0.021 0.000 2.587 37 A HA -0.105 nan 4.320 nan 0.000 0.233 37 A C 0.183 177.745 177.584 -0.036 0.000 1.049 37 A CA 0.944 52.961 52.037 -0.033 0.000 0.754 37 A CB 0.454 19.432 19.000 -0.036 0.000 0.977 37 A HN -0.702 7.390 8.150 -0.019 0.047 0.509 38 R N 3.259 123.734 120.500 -0.041 0.000 2.207 38 R HA 0.262 nan 4.340 nan 0.000 0.334 38 R C -1.598 174.669 176.300 -0.054 0.000 1.013 38 R CA -1.053 55.019 56.100 -0.046 0.000 0.858 38 R CB 1.047 31.326 30.300 -0.036 0.000 1.094 38 R HN -0.196 8.048 8.270 -0.044 0.000 0.457 39 V N 0.586 120.461 119.914 -0.064 0.000 2.735 39 V HA 1.016 nan 4.120 nan 0.000 0.310 39 V C -2.371 173.685 176.094 -0.064 0.000 1.061 39 V CA -3.178 59.087 62.300 -0.058 0.000 0.913 39 V CB 4.341 36.134 31.823 -0.049 0.000 1.005 39 V HN 0.048 8.431 8.190 -0.077 -0.239 0.428 40 A N 4.356 127.146 122.820 -0.049 0.000 2.651 40 A HA 0.529 nan 4.320 nan 0.000 0.290 40 A C -3.078 174.489 177.584 -0.027 0.000 1.185 40 A CA -0.947 51.064 52.037 -0.044 0.000 0.746 40 A CB 1.557 20.532 19.000 -0.041 0.000 1.213 40 A HN 0.382 8.507 8.150 -0.042 0.000 0.429 41 C N 4.659 123.947 119.300 -0.019 0.000 2.258 41 C HA 0.576 nan 4.460 nan 0.000 0.321 41 C C -1.198 173.797 174.990 0.009 0.000 1.168 41 C CA -2.103 56.914 59.018 -0.003 0.000 1.531 41 C CB 0.214 27.955 27.740 0.002 0.000 2.095 41 C HN 0.563 8.660 8.230 -0.026 0.118 0.449 42 E N 8.818 129.027 120.200 0.015 0.000 2.231 42 E HA 0.310 nan 4.350 nan 0.000 0.277 42 E C -1.448 175.183 176.600 0.052 0.000 0.999 42 E CA -1.052 55.365 56.400 0.029 0.000 0.827 42 E CB 2.972 32.688 29.700 0.027 0.000 1.101 42 E HN 0.528 8.895 8.360 0.011 0.000 0.393 43 T N 3.835 118.430 114.554 0.069 0.000 2.893 43 T HA 0.720 nan 4.350 nan 0.000 0.293 43 T C -2.305 172.481 174.700 0.144 0.000 1.027 43 T CA -0.575 61.582 62.100 0.095 0.000 0.988 43 T CB 2.683 71.593 68.868 0.069 0.000 1.043 43 T HN 0.306 8.582 8.240 0.059 0.000 0.461 44 Y N 5.322 125.622 120.300 -0.000 0.000 2.477 44 Y HA 0.803 nan 4.550 nan 0.000 0.347 44 Y C -3.141 172.752 175.900 -0.011 0.000 0.981 44 Y CA -1.362 56.731 58.100 -0.011 0.000 1.033 44 Y CB 3.878 42.334 38.460 -0.007 0.000 1.245 44 Y HN 0.644 9.061 8.280 0.227 0.000 0.455 45 V N 6.388 126.306 119.914 0.008 0.000 2.891 45 V HA 0.764 nan 4.120 nan 0.000 0.304 45 V C -3.232 172.782 176.094 -0.134 0.000 1.171 45 V CA -1.215 61.085 62.300 0.001 0.000 0.943 45 V CB 3.829 35.598 31.823 -0.089 0.000 1.037 45 V HN 0.687 8.668 8.190 -0.350 0.000 0.427 46 K N 6.943 127.321 120.400 -0.037 0.000 2.556 46 K HA 0.597 nan 4.320 nan 0.000 0.289 46 K C -1.029 175.591 176.600 0.033 0.000 1.040 46 K CA -0.711 55.561 56.287 -0.026 0.000 0.894 46 K CB 3.178 35.758 32.500 0.133 0.000 1.547 46 K HN 0.485 8.756 8.250 0.036 0.000 0.417 47 T N -1.763 112.821 114.554 0.050 0.000 2.759 47 T HA -0.163 nan 4.350 nan 0.000 0.269 47 T C 0.198 175.057 174.700 0.265 0.000 1.042 47 T CA 3.169 65.331 62.100 0.103 0.000 1.140 47 T CB -0.377 68.530 68.868 0.065 0.000 0.864 47 T HN 0.648 8.909 8.240 0.034 0.000 0.455 48 G N -1.595 107.333 108.800 0.214 0.000 3.126 48 G HA2 0.207 nan 3.960 nan 0.000 0.224 48 G HA3 0.207 nan 3.960 nan 0.000 0.224 48 G C -1.980 173.044 174.900 0.207 0.000 1.142 48 G CA -0.976 44.229 45.100 0.176 0.000 0.759 48 G HN -0.281 8.079 8.290 0.170 0.033 0.550 49 M N -0.154 119.671 119.600 0.376 0.000 2.365 49 M HA 0.610 nan 4.480 nan 0.000 0.287 49 M C -2.793 173.678 176.300 0.284 0.000 1.154 49 M CA 0.364 55.806 55.300 0.237 0.000 0.941 49 M CB 4.081 36.784 32.600 0.172 0.000 1.704 49 M HN -0.168 8.488 8.290 0.610 0.000 0.479 50 V N 5.196 125.241 119.914 0.218 0.000 2.483 50 V HA 0.759 nan 4.120 nan 0.000 0.297 50 V C -2.216 173.956 176.094 0.131 0.000 1.027 50 V CA -0.998 61.417 62.300 0.192 0.000 0.855 50 V CB 1.897 33.837 31.823 0.194 0.000 0.995 50 V HN 0.819 9.105 8.190 0.161 0.000 0.424 51 L N 8.280 129.580 121.223 0.128 0.000 2.305 51 L HA 0.867 nan 4.340 nan 0.000 0.284 51 L C -2.610 174.306 176.870 0.076 0.000 1.013 51 L CA -1.238 53.642 54.840 0.066 0.000 0.819 51 L CB 2.652 44.708 42.059 -0.004 0.000 1.227 51 L HN 0.819 9.157 8.230 0.181 0.000 0.417 52 V N 6.316 126.263 119.914 0.056 0.000 2.409 52 V HA 0.872 nan 4.120 nan 0.000 0.291 52 V C -2.264 173.850 176.094 0.033 0.000 1.020 52 V CA -2.839 59.493 62.300 0.053 0.000 0.848 52 V CB 2.925 34.782 31.823 0.058 0.000 0.990 52 V HN 0.823 9.040 8.190 0.045 0.000 0.430 53 G N 7.259 116.075 108.800 0.026 0.000 2.667 53 G HA2 0.831 nan 3.960 nan 0.000 0.298 53 G HA3 0.831 nan 3.960 nan 0.000 0.298 53 G C -2.882 172.022 174.900 0.007 0.000 1.377 53 G CA -1.052 44.054 45.100 0.011 0.000 0.964 53 G HN 0.843 9.153 8.290 0.034 0.000 0.493 54 G N -0.789 108.010 108.800 -0.002 0.000 2.523 54 G HA2 0.507 nan 3.960 nan 0.000 0.291 54 G HA3 0.507 nan 3.960 nan 0.000 0.291 54 G C -2.709 172.182 174.900 -0.015 0.000 1.450 54 G CA 0.461 45.556 45.100 -0.008 0.000 0.790 54 G HN 0.253 8.541 8.290 -0.004 0.000 0.496 55 E N -0.199 119.988 120.200 -0.021 0.000 2.171 55 E HA 0.868 nan 4.350 nan 0.000 0.271 55 E C -1.882 174.696 176.600 -0.036 0.000 0.916 55 E CA -1.892 54.491 56.400 -0.028 0.000 0.774 55 E CB 3.272 32.956 29.700 -0.027 0.000 1.128 55 E HN -0.164 8.183 8.360 -0.022 0.000 0.403 56 I N 3.617 124.160 120.570 -0.045 0.000 2.689 56 I HA 0.677 nan 4.170 nan 0.000 0.299 56 I C -2.641 173.435 176.117 -0.068 0.000 1.059 56 I CA -1.944 59.322 61.300 -0.057 0.000 1.055 56 I CB 3.927 41.889 38.000 -0.064 0.000 1.243 56 I HN 0.586 8.769 8.210 -0.045 0.000 0.425 57 T N 8.296 122.809 114.554 -0.069 0.000 2.965 57 T HA 0.657 nan 4.350 nan 0.000 0.306 57 T C -2.460 172.190 174.700 -0.084 0.000 0.991 57 T CA -1.233 60.822 62.100 -0.074 0.000 1.001 57 T CB 1.637 70.473 68.868 -0.054 0.000 0.984 57 T HN 0.567 8.768 8.240 -0.064 0.000 0.446 58 T N 8.482 122.966 114.554 -0.117 0.000 2.827 58 T HA 0.483 nan 4.350 nan 0.000 0.328 58 T C -0.845 173.743 174.700 -0.186 0.000 1.598 58 T CA -0.938 61.083 62.100 -0.131 0.000 1.043 58 T CB 2.532 71.319 68.868 -0.135 0.000 1.447 58 T HN 0.612 8.772 8.240 -0.132 0.000 0.491 59 S N 4.740 120.351 115.700 -0.149 0.000 2.338 59 S HA -0.154 nan 4.470 nan 0.000 0.218 59 S C 0.972 175.390 174.600 -0.304 0.000 1.032 59 S CA 2.926 61.030 58.200 -0.160 0.000 0.999 59 S CB 0.130 63.292 63.200 -0.063 0.000 0.905 59 S HN 0.145 8.662 8.310 -0.103 -0.268 0.439 60 A N 1.568 124.261 122.820 -0.211 0.000 2.613 60 A HA -0.262 nan 4.320 nan 0.000 0.230 60 A C -1.358 176.015 177.584 -0.352 0.000 1.051 60 A CA 1.308 53.245 52.037 -0.168 0.000 0.754 60 A CB 0.056 19.008 19.000 -0.080 0.000 0.979 60 A HN -0.493 7.570 8.150 -0.145 0.000 0.510 61 W N 2.591 123.901 121.300 0.017 0.000 2.587 61 W HA 0.109 nan 4.660 nan 0.000 0.324 61 W C -0.982 175.549 176.519 0.019 0.000 1.040 61 W CA -0.426 56.929 57.345 0.016 0.000 1.222 61 W CB 2.266 31.734 29.460 0.014 0.000 1.381 61 W HN -0.445 8.112 8.180 0.176 -0.272 0.483 62 V N 5.257 125.315 119.914 0.239 0.000 2.971 62 V HA 0.095 nan 4.120 nan 0.000 0.309 62 V C -1.680 174.501 176.094 0.145 0.000 1.130 62 V CA -0.865 61.523 62.300 0.146 0.000 0.964 62 V CB 3.709 35.580 31.823 0.080 0.000 1.029 62 V HN -0.194 8.163 8.190 0.279 0.000 0.427 63 D N 5.071 125.537 120.400 0.110 0.000 2.443 63 D HA 0.213 nan 4.640 nan 0.000 0.221 63 D C 0.809 177.153 176.300 0.074 0.000 1.097 63 D CA -1.706 52.349 54.000 0.092 0.000 0.865 63 D CB -0.042 40.802 40.800 0.074 0.000 1.034 63 D HN 0.241 8.670 8.370 0.098 0.000 0.511 64 I N 6.483 127.097 120.570 0.072 0.000 2.208 64 I HA -0.472 nan 4.170 nan 0.000 0.245 64 I C 1.485 177.637 176.117 0.058 0.000 1.097 64 I CA 2.276 63.614 61.300 0.062 0.000 1.363 64 I CB -0.296 37.738 38.000 0.057 0.000 1.051 64 I HN 0.417 8.675 8.210 0.082 0.000 0.413 65 E N -0.401 119.830 120.200 0.053 0.000 2.072 65 E HA -0.388 nan 4.350 nan 0.000 0.191 65 E C 1.889 178.516 176.600 0.046 0.000 0.985 65 E CA 3.470 59.897 56.400 0.046 0.000 0.801 65 E CB -0.179 29.543 29.700 0.036 0.000 0.750 65 E HN -0.125 8.458 8.360 0.054 -0.190 0.452 66 E N 0.221 120.449 120.200 0.046 0.000 2.031 66 E HA -0.304 nan 4.350 nan 0.000 0.193 66 E C 2.378 179.009 176.600 0.052 0.000 0.994 66 E CA 2.953 59.380 56.400 0.044 0.000 0.800 66 E CB -0.065 29.662 29.700 0.044 0.000 0.752 66 E HN -0.504 8.232 8.360 0.048 -0.347 0.447 67 I N -1.231 119.373 120.570 0.058 0.000 2.208 67 I HA -0.573 nan 4.170 nan 0.000 0.245 67 I C 2.123 178.281 176.117 0.068 0.000 1.097 67 I CA 4.212 65.550 61.300 0.063 0.000 1.363 67 I CB -0.207 37.831 38.000 0.065 0.000 1.051 67 I HN 0.200 8.445 8.210 0.058 0.000 0.413 68 T N 2.109 116.705 114.554 0.069 0.000 2.708 68 T HA -0.315 nan 4.350 nan 0.000 0.266 68 T C 2.178 176.930 174.700 0.086 0.000 1.037 68 T CA 4.934 67.083 62.100 0.081 0.000 1.146 68 T CB -0.701 68.215 68.868 0.079 0.000 0.865 68 T HN 0.201 8.388 8.240 0.064 0.092 0.435 69 R N 0.613 121.152 120.500 0.066 0.000 2.092 69 R HA -0.329 nan 4.340 nan 0.000 0.231 69 R C 2.343 178.685 176.300 0.069 0.000 1.119 69 R CA 3.679 59.815 56.100 0.060 0.000 0.970 69 R CB -0.245 30.076 30.300 0.034 0.000 0.864 69 R HN 0.142 8.446 8.270 0.057 0.000 0.440 70 N N -0.166 118.572 118.700 0.064 0.000 2.106 70 N HA -0.188 nan 4.740 nan 0.000 0.188 70 N C 2.216 177.773 175.510 0.077 0.000 1.029 70 N CA 3.296 56.384 53.050 0.063 0.000 0.848 70 N CB -0.453 38.067 38.487 0.055 0.000 1.007 70 N HN 0.070 8.487 8.380 0.061 0.000 0.423 71 T N 4.008 118.614 114.554 0.086 0.000 2.788 71 T HA -0.223 nan 4.350 nan 0.000 0.268 71 T C 2.091 176.867 174.700 0.127 0.000 1.044 71 T CA 4.647 66.805 62.100 0.098 0.000 1.139 71 T CB -0.336 68.589 68.868 0.095 0.000 0.867 71 T HN -0.321 7.968 8.240 0.082 0.000 0.454 72 V N 2.183 122.190 119.914 0.155 0.000 2.427 72 V HA -0.374 nan 4.120 nan 0.000 0.248 72 V C 1.631 177.848 176.094 0.206 0.000 1.051 72 V CA 4.131 66.569 62.300 0.230 0.000 1.048 72 V CB -1.066 30.935 31.823 0.296 0.000 0.666 72 V HN -0.328 7.945 8.190 0.139 0.000 0.456 73 R N -0.594 119.988 120.500 0.136 0.000 2.096 73 R HA -0.378 nan 4.340 nan 0.000 0.235 73 R C 1.880 178.227 176.300 0.078 0.000 1.127 73 R CA 3.475 59.635 56.100 0.099 0.000 0.968 73 R CB -0.089 30.253 30.300 0.069 0.000 0.861 73 R HN -0.005 8.336 8.270 0.118 0.000 0.440 74 E N -2.576 117.670 120.200 0.076 0.000 2.110 74 E HA -0.208 nan 4.350 nan 0.000 0.193 74 E C 1.935 178.567 176.600 0.054 0.000 0.988 74 E CA 2.440 58.876 56.400 0.059 0.000 0.804 74 E CB 0.128 29.866 29.700 0.063 0.000 0.745 74 E HN -0.387 8.023 8.360 0.083 0.000 0.458 75 I N -3.675 116.944 120.570 0.080 0.000 2.361 75 I HA -0.454 nan 4.170 nan 0.000 0.251 75 I C 0.920 177.015 176.117 -0.038 0.000 1.133 75 I CA 2.588 63.926 61.300 0.064 0.000 1.413 75 I CB 0.579 38.674 38.000 0.159 0.000 1.073 75 I HN -0.574 7.700 8.210 0.107 0.000 0.424 76 G N -4.208 104.586 108.800 -0.010 0.000 2.205 76 G HA2 -0.328 nan 3.960 nan 0.000 0.180 76 G HA3 -0.328 nan 3.960 nan 0.000 0.180 76 G C -0.600 174.257 174.900 -0.072 0.000 1.004 76 G CA -0.384 44.668 45.100 -0.080 0.000 0.670 76 G HN -0.348 7.883 8.290 0.075 0.104 0.496 77 Y N 1.062 121.433 120.300 0.118 0.000 2.585 77 Y HA -0.075 nan 4.550 nan 0.000 0.354 77 Y C -1.709 174.269 175.900 0.130 0.000 1.024 77 Y CA 0.735 58.930 58.100 0.159 0.000 1.321 77 Y CB -0.877 37.753 38.460 0.283 0.000 1.151 77 Y HN -0.573 7.873 8.280 0.277 0.000 0.525 78 V N 6.650 126.706 119.914 0.236 0.000 3.047 78 V HA 0.223 nan 4.120 nan 0.000 0.374 78 V C -1.961 174.248 176.094 0.192 0.000 1.399 78 V CA -0.633 61.760 62.300 0.155 0.000 1.251 78 V CB 0.272 32.154 31.823 0.099 0.000 1.228 78 V HN 0.116 8.440 8.190 0.224 0.000 0.589 79 H N -0.663 118.455 119.070 0.080 0.000 3.093 79 H HA 0.181 nan 4.556 nan 0.000 0.312 79 H C -0.300 175.072 175.328 0.072 0.000 1.213 79 H CA -0.465 55.617 56.048 0.056 0.000 1.366 79 H CB 3.048 32.843 29.762 0.055 0.000 1.998 79 H HN -0.723 7.708 8.280 0.251 0.000 0.522 80 S N 5.784 121.649 115.700 0.275 0.000 2.370 80 S HA -0.344 nan 4.470 nan 0.000 0.226 80 S C 1.600 176.190 174.600 -0.018 0.000 1.033 80 S CA 3.309 61.569 58.200 0.099 0.000 1.011 80 S CB 0.143 63.407 63.200 0.106 0.000 0.852 80 S HN 0.694 9.297 8.310 0.488 0.000 0.457 81 D N 0.683 120.945 120.400 -0.229 0.000 2.309 81 D HA -0.239 nan 4.640 nan 0.000 0.212 81 D C 0.898 177.138 176.300 -0.099 0.000 0.968 81 D CA 2.006 55.884 54.000 -0.203 0.000 0.882 81 D CB -0.995 39.628 40.800 -0.295 0.000 0.918 81 D HN -0.203 7.895 8.370 -0.453 0.000 0.503 82 M N -3.496 116.083 119.600 -0.035 0.000 2.229 82 M HA -0.260 nan 4.480 nan 0.000 0.264 82 M C 1.300 177.709 176.300 0.182 0.000 1.063 82 M CA 2.256 57.623 55.300 0.111 0.000 1.114 82 M CB 0.720 33.459 32.600 0.231 0.000 1.387 82 M HN -0.606 7.608 8.290 -0.075 0.031 0.420 83 G N -3.626 105.266 108.800 0.154 0.000 2.545 83 G HA2 -0.273 nan 3.960 nan 0.000 0.195 83 G HA3 -0.273 nan 3.960 nan 0.000 0.195 83 G C -1.432 173.603 174.900 0.225 0.000 1.009 83 G CA -0.399 44.786 45.100 0.141 0.000 0.703 83 G HN 0.118 8.320 8.290 0.115 0.158 0.479 84 F N 0.195 120.156 119.950 0.019 0.000 2.639 84 F HA 0.113 nan 4.527 nan 0.000 0.320 84 F C -2.669 173.184 175.800 0.088 0.000 1.128 84 F CA -0.430 57.555 58.000 -0.025 0.000 1.037 84 F CB 2.860 41.713 39.000 -0.245 0.000 1.288 84 F HN -0.946 7.547 8.300 0.321 0.000 0.463 85 D N 5.708 125.965 120.400 -0.238 0.000 2.408 85 D HA 0.398 nan 4.640 nan 0.000 0.243 85 D C -0.779 175.363 176.300 -0.263 0.000 1.075 85 D CA -1.570 52.362 54.000 -0.114 0.000 0.832 85 D CB 2.366 43.136 40.800 -0.050 0.000 1.162 85 D HN 0.173 8.260 8.370 -0.472 0.000 0.515 86 A N 6.125 128.899 122.820 -0.077 0.000 1.972 86 A HA -0.309 nan 4.320 nan 0.000 0.219 86 A C 1.418 178.961 177.584 -0.068 0.000 1.169 86 A CA 3.198 55.204 52.037 -0.052 0.000 0.635 86 A CB 0.042 19.078 19.000 0.062 0.000 0.810 86 A HN 0.856 8.936 8.150 0.051 0.100 0.446 87 N N -2.972 115.697 118.700 -0.050 0.000 2.422 87 N HA -0.034 nan 4.740 nan 0.000 0.181 87 N C 0.757 176.231 175.510 -0.059 0.000 1.080 87 N CA 2.151 55.178 53.050 -0.039 0.000 0.893 87 N CB 0.389 38.862 38.487 -0.022 0.000 0.973 87 N HN 0.310 8.871 8.380 -0.039 -0.205 0.456 88 S N -1.099 114.542 115.700 -0.098 0.000 2.578 88 S HA 0.172 nan 4.470 nan 0.000 0.228 88 S C 0.960 175.474 174.600 -0.143 0.000 1.022 88 S CA -0.006 58.136 58.200 -0.097 0.000 0.967 88 S CB 1.322 64.481 63.200 -0.069 0.000 0.914 88 S HN -0.309 8.033 8.310 -0.120 -0.104 0.515 89 C N 1.957 121.102 119.300 -0.258 0.000 2.745 89 C HA 0.171 nan 4.460 nan 0.000 0.387 89 C C -0.610 174.305 174.990 -0.125 0.000 1.312 89 C CA -2.109 56.727 59.018 -0.303 0.000 2.204 89 C CB 0.349 27.684 27.740 -0.674 0.000 2.686 89 C HN -0.091 7.953 8.230 -0.311 0.000 0.705 90 A N -0.233 122.553 122.820 -0.055 0.000 2.331 90 A HA 0.381 nan 4.320 nan 0.000 0.283 90 A C -1.869 175.729 177.584 0.024 0.000 1.142 90 A CA -0.417 51.617 52.037 -0.006 0.000 0.812 90 A CB 1.074 20.083 19.000 0.016 0.000 1.074 90 A HN 0.425 8.548 8.150 -0.045 0.000 0.497 91 V N 2.476 122.405 119.914 0.024 0.000 2.409 91 V HA 0.603 nan 4.120 nan 0.000 0.291 91 V C -0.835 175.281 176.094 0.036 0.000 1.020 91 V CA -0.928 61.398 62.300 0.043 0.000 0.848 91 V CB 0.592 32.441 31.823 0.043 0.000 0.990 91 V HN 0.219 8.417 8.190 0.014 0.000 0.430 92 L N 8.833 130.078 121.223 0.038 0.000 2.334 92 L HA 0.541 nan 4.340 nan 0.000 0.276 92 L C -1.080 175.806 176.870 0.027 0.000 1.014 92 L CA -1.337 53.518 54.840 0.024 0.000 0.815 92 L CB 2.401 44.466 42.059 0.011 0.000 1.268 92 L HN 0.877 9.137 8.230 0.050 0.000 0.428 93 S N 1.952 117.666 115.700 0.024 0.000 2.568 93 S HA 0.609 nan 4.470 nan 0.000 0.293 93 S C -1.434 173.174 174.600 0.014 0.000 1.089 93 S CA -1.412 56.802 58.200 0.023 0.000 0.945 93 S CB 2.367 65.586 63.200 0.033 0.000 1.077 93 S HN 0.196 8.520 8.310 0.022 0.000 0.485 94 A N 3.546 126.371 122.820 0.009 0.000 3.266 94 A HA 0.364 nan 4.320 nan 0.000 0.310 94 A C -2.179 175.405 177.584 0.001 0.000 1.066 94 A CA 0.094 52.132 52.037 0.002 0.000 0.839 94 A CB 0.840 19.834 19.000 -0.009 0.000 1.192 94 A HN 0.527 8.683 8.150 0.011 0.000 0.496 95 I N 1.734 122.307 120.570 0.005 0.000 2.330 95 I HA 0.342 nan 4.170 nan 0.000 0.289 95 I C 0.049 176.161 176.117 -0.008 0.000 1.001 95 I CA -1.281 60.017 61.300 -0.003 0.000 1.193 95 I CB 0.816 38.816 38.000 -0.001 0.000 1.345 95 I HN -0.238 7.978 8.210 0.011 0.000 0.461 96 G N 6.754 115.545 108.800 -0.015 0.000 2.355 96 G HA2 0.122 nan 3.960 nan 0.000 0.276 96 G HA3 0.122 nan 3.960 nan 0.000 0.276 96 G C -2.327 172.553 174.900 -0.033 0.000 1.198 96 G CA -0.625 44.464 45.100 -0.018 0.000 0.876 96 G HN 0.307 8.587 8.290 -0.016 0.000 0.478 97 K N 3.966 124.342 120.400 -0.041 0.000 2.206 97 K HA 0.377 nan 4.320 nan 0.000 0.264 97 K C -1.171 175.389 176.600 -0.066 0.000 0.967 97 K CA -1.036 55.206 56.287 -0.075 0.000 0.844 97 K CB 1.631 34.060 32.500 -0.118 0.000 1.099 97 K HN 0.202 8.435 8.250 -0.028 0.000 0.441 98 Q N 7.245 127.002 119.800 -0.071 0.000 2.309 98 Q HA 0.296 nan 4.340 nan 0.000 0.264 98 Q C -1.960 173.992 176.000 -0.080 0.000 1.008 98 Q CA -1.063 54.705 55.803 -0.059 0.000 0.853 98 Q CB 3.481 32.191 28.738 -0.046 0.000 1.314 98 Q HN 0.582 8.805 8.270 -0.078 0.000 0.448 99 S N 5.727 121.387 115.700 -0.067 0.000 2.489 99 S HA 0.475 nan 4.470 nan 0.000 0.291 99 S C -2.084 172.487 174.600 -0.048 0.000 1.151 99 S CA -2.771 55.385 58.200 -0.073 0.000 1.082 99 S CB 0.483 63.649 63.200 -0.056 0.000 1.019 99 S HN 0.221 8.503 8.310 -0.047 0.000 0.492 100 P HA -0.013 nan 4.420 nan 0.000 0.267 100 P C -2.041 175.245 177.300 -0.024 0.000 1.205 100 P CA 0.149 63.229 63.100 -0.034 0.000 0.765 100 P CB 0.127 31.807 31.700 -0.033 0.000 0.828 101 D N 2.276 122.664 120.400 -0.021 0.000 2.500 101 D HA 0.117 nan 4.640 nan 0.000 0.219 101 D C 0.430 176.720 176.300 -0.017 0.000 1.137 101 D CA 0.562 54.553 54.000 -0.017 0.000 0.946 101 D CB -0.217 40.574 40.800 -0.016 0.000 1.022 101 D HN 0.108 8.464 8.370 -0.023 0.000 0.518 109 A N 0.832 123.634 122.820 -0.032 0.000 1.873 109 A HA -0.093 nan 4.320 nan 0.000 0.215 109 A C -0.364 177.202 177.584 -0.029 0.000 1.186 109 A CA 1.295 53.316 52.037 -0.027 0.000 0.616 109 A CB 0.036 19.026 19.000 -0.018 0.000 0.823 109 A HN 0.392 8.527 8.150 -0.026 0.000 0.442 110 D N -2.095 118.289 120.400 -0.028 0.000 2.373 110 D HA 0.337 nan 4.640 nan 0.000 0.227 110 D C -0.961 175.311 176.300 -0.046 0.000 1.091 110 D CA -3.408 50.577 54.000 -0.025 0.000 0.840 110 D CB 0.720 41.515 40.800 -0.009 0.000 1.060 110 D HN -0.279 8.077 8.370 -0.025 0.000 0.502 111 P HA -0.201 nan 4.420 nan 0.000 0.217 111 P C 1.056 178.300 177.300 -0.094 0.000 1.148 111 P CA 1.740 64.764 63.100 -0.126 0.000 0.828 111 P CB 0.271 31.904 31.700 -0.112 0.000 0.783 112 L N -4.129 117.094 121.223 -0.000 0.000 2.353 112 L HA -0.207 nan 4.340 nan 0.000 0.220 112 L C 1.244 178.156 176.870 0.069 0.000 1.133 112 L CA 1.429 56.312 54.840 0.070 0.000 0.798 112 L CB -1.169 40.934 42.059 0.074 0.000 0.922 112 L HN -0.588 7.868 8.230 0.001 -0.226 0.445 113 E N -4.379 115.832 120.200 0.019 0.000 2.489 113 E HA -0.088 nan 4.350 nan 0.000 0.193 113 E C -0.093 176.516 176.600 0.016 0.000 1.057 113 E CA -0.596 55.820 56.400 0.027 0.000 0.866 113 E CB -0.023 29.683 29.700 0.011 0.000 0.916 113 E HN -0.431 7.779 8.360 -0.007 0.146 0.500 114 Q N 0.196 119.974 119.800 -0.037 0.000 2.361 114 Q HA -0.166 nan 4.340 nan 0.000 0.276 114 Q C -0.149 175.905 176.000 0.089 0.000 1.022 114 Q CA 0.312 56.076 55.803 -0.065 0.000 0.898 114 Q CB 0.670 29.201 28.738 -0.345 0.000 1.246 114 Q HN -0.686 7.381 8.270 -0.074 0.159 0.410 115 G N -1.412 107.426 108.800 0.063 0.000 2.539 115 G HA2 0.146 nan 3.960 nan 0.000 0.258 115 G HA3 0.146 nan 3.960 nan 0.000 0.258 115 G C -1.382 173.575 174.900 0.096 0.000 1.202 115 G CA -1.259 43.890 45.100 0.082 0.000 0.851 115 G HN 0.074 8.376 8.290 0.019 0.000 0.556 116 A N 0.562 123.413 122.820 0.051 0.000 2.540 116 A HA -0.065 nan 4.320 nan 0.000 0.239 116 A C 1.371 178.945 177.584 -0.016 0.000 1.061 116 A CA 0.767 52.782 52.037 -0.037 0.000 0.758 116 A CB 0.516 19.494 19.000 -0.037 0.000 0.991 116 A HN 0.015 8.101 8.150 0.074 0.108 0.502 117 G N 0.404 109.170 108.800 -0.056 0.000 2.422 117 G HA2 -0.331 nan 3.960 nan 0.000 0.218 117 G HA3 -0.331 nan 3.960 nan 0.000 0.218 117 G C -1.327 173.552 174.900 -0.035 0.000 1.140 117 G CA 1.373 46.451 45.100 -0.037 0.000 0.775 117 G HN 0.875 9.094 8.290 -0.119 0.000 0.545 118 D N -3.379 116.994 120.400 -0.045 0.000 2.643 118 D HA 0.147 nan 4.640 nan 0.000 0.283 118 D C -1.347 174.958 176.300 0.009 0.000 1.242 118 D CA -1.565 52.425 54.000 -0.017 0.000 0.863 118 D CB 2.541 43.326 40.800 -0.024 0.000 1.382 118 D HN -0.639 7.684 8.370 -0.078 0.000 0.444 119 Q N -0.144 119.675 119.800 0.031 0.000 2.544 119 Q HA 0.109 nan 4.340 nan 0.000 0.194 119 Q C -0.579 175.464 176.000 0.071 0.000 1.104 119 Q CA 0.106 55.947 55.803 0.065 0.000 1.131 119 Q CB 0.981 29.745 28.738 0.043 0.000 1.210 119 Q HN 0.261 8.543 8.270 0.019 0.000 0.639 120 G N -3.163 105.691 108.800 0.090 0.000 2.358 120 G HA2 0.168 nan 3.960 nan 0.000 0.303 120 G HA3 0.168 nan 3.960 nan 0.000 0.303 120 G C -3.020 171.920 174.900 0.067 0.000 1.537 120 G CA -0.327 44.822 45.100 0.082 0.000 0.928 120 G HN -0.405 7.934 8.290 0.082 0.000 0.656 121 L N -2.126 119.114 121.223 0.028 0.000 2.365 121 L HA 1.048 nan 4.340 nan 0.000 0.273 121 L C -1.701 175.146 176.870 -0.038 0.000 1.000 121 L CA -1.474 53.328 54.840 -0.064 0.000 0.819 121 L CB 3.035 45.025 42.059 -0.114 0.000 1.284 121 L HN 0.164 8.423 8.230 0.048 0.000 0.418 122 M N -3.116 116.412 119.600 -0.119 0.000 2.484 122 M HA 0.478 nan 4.480 nan 0.000 0.289 122 M C -1.902 174.354 176.300 -0.073 0.000 1.206 122 M CA -1.956 53.343 55.300 -0.002 0.000 0.892 122 M CB 3.709 36.364 32.600 0.090 0.000 1.712 122 M HN 0.556 8.722 8.290 -0.206 0.000 0.462 123 F N 0.194 120.181 119.950 0.062 0.000 2.551 123 F HA 0.715 nan 4.527 nan 0.000 0.316 123 F C -0.191 175.712 175.800 0.171 0.000 1.089 123 F CA -1.053 57.001 58.000 0.091 0.000 0.915 123 F CB 3.911 42.967 39.000 0.093 0.000 1.186 123 F HN 0.205 8.700 8.300 0.324 0.000 0.456 124 G N 1.220 110.221 108.800 0.336 0.000 2.519 124 G HA2 0.401 nan 3.960 nan 0.000 0.307 124 G HA3 0.401 nan 3.960 nan 0.000 0.307 124 G C -3.360 171.631 174.900 0.151 0.000 1.266 124 G CA -1.276 43.980 45.100 0.259 0.000 0.970 124 G HN 0.420 8.893 8.290 0.305 0.000 0.481 125 Y N 1.432 121.572 120.300 -0.266 0.000 2.562 125 Y HA 0.787 nan 4.550 nan 0.000 0.345 125 Y C -2.772 172.991 175.900 -0.227 0.000 1.045 125 Y CA -1.232 56.627 58.100 -0.403 0.000 1.028 125 Y CB 4.059 41.979 38.460 -0.901 0.000 1.297 125 Y HN 0.100 8.440 8.280 0.100 0.000 0.463 126 A N 2.074 124.654 122.820 -0.399 0.000 2.594 126 A HA 0.754 nan 4.320 nan 0.000 0.291 126 A C -2.744 174.538 177.584 -0.504 0.000 1.105 126 A CA -0.884 51.006 52.037 -0.245 0.000 0.694 126 A CB 4.025 22.951 19.000 -0.122 0.000 1.291 126 A HN 0.728 8.419 8.150 -0.765 0.000 0.410 127 T N -1.944 112.495 114.554 -0.191 0.000 3.047 127 T HA 0.349 nan 4.350 nan 0.000 0.340 127 T C -0.424 174.264 174.700 -0.020 0.000 1.421 127 T CA -1.045 60.965 62.100 -0.150 0.000 1.090 127 T CB 2.153 70.966 68.868 -0.092 0.000 1.292 127 T HN -0.212 7.893 8.240 -0.046 0.107 0.480 128 N N 6.028 124.720 118.700 -0.013 0.000 2.571 128 N HA -0.099 nan 4.740 nan 0.000 0.189 128 N C 1.074 176.622 175.510 0.062 0.000 1.154 128 N CA 1.047 54.112 53.050 0.026 0.000 0.907 128 N CB -0.570 37.927 38.487 0.017 0.000 0.977 128 N HN 0.466 8.824 8.380 -0.038 0.000 0.449 129 E N -0.835 119.410 120.200 0.076 0.000 2.208 129 E HA -0.275 nan 4.350 nan 0.000 0.202 129 E C 0.138 176.830 176.600 0.153 0.000 1.014 129 E CA 2.054 58.520 56.400 0.110 0.000 0.819 129 E CB 0.118 29.885 29.700 0.112 0.000 0.735 129 E HN -0.556 7.794 8.360 0.058 0.044 0.469 130 T N -2.408 112.233 114.554 0.145 0.000 2.896 130 T HA 0.334 nan 4.350 nan 0.000 0.297 130 T C 0.057 174.834 174.700 0.128 0.000 1.108 130 T CA -1.200 61.003 62.100 0.172 0.000 1.004 130 T CB 2.782 71.753 68.868 0.173 0.000 1.159 130 T HN -0.753 7.500 8.240 0.117 0.057 0.499 131 D N 3.499 123.974 120.400 0.125 0.000 2.133 131 D HA -0.344 nan 4.640 nan 0.000 0.192 131 D C 0.830 177.178 176.300 0.081 0.000 1.001 131 D CA 2.645 56.699 54.000 0.089 0.000 0.844 131 D CB -0.552 40.297 40.800 0.081 0.000 0.944 131 D HN 0.298 8.759 8.370 0.152 0.000 0.447 132 V N -7.169 112.802 119.914 0.096 0.000 3.620 132 V HA 0.162 nan 4.120 nan 0.000 0.286 132 V C -0.472 175.697 176.094 0.124 0.000 1.288 132 V CA -0.594 61.768 62.300 0.104 0.000 1.178 132 V CB -1.836 30.056 31.823 0.115 0.000 0.986 132 V HN -0.492 7.758 8.190 0.101 0.000 0.431 133 L N -3.590 117.700 121.223 0.110 0.000 3.717 133 L HA -0.366 nan 4.340 nan 0.000 0.414 133 L C -1.342 175.622 176.870 0.156 0.000 1.228 133 L CA 1.274 56.176 54.840 0.102 0.000 0.918 133 L CB -2.088 40.011 42.059 0.067 0.000 1.865 133 L HN 0.025 8.120 8.230 0.099 0.193 0.922 134 M N -1.829 117.888 119.600 0.196 0.000 2.716 134 M HA 0.512 nan 4.480 nan 0.000 0.307 134 M C -1.853 174.589 176.300 0.237 0.000 1.223 134 M CA -3.347 52.123 55.300 0.283 0.000 0.871 134 M CB 1.032 33.815 32.600 0.304 0.000 1.739 134 M HN -0.471 7.920 8.290 0.168 0.000 0.475 135 P HA -0.032 nan 4.420 nan 0.000 0.268 135 P C -0.643 176.707 177.300 0.082 0.000 1.204 135 P CA 0.135 63.322 63.100 0.145 0.000 0.768 135 P CB 0.246 32.002 31.700 0.094 0.000 0.842 136 A N 5.785 128.601 122.820 -0.007 0.000 1.883 136 A HA -0.245 nan 4.320 nan 0.000 0.217 136 A C -0.692 176.792 177.584 -0.167 0.000 1.186 136 A CA 5.077 57.071 52.037 -0.071 0.000 0.624 136 A CB -2.700 16.080 19.000 -0.366 0.000 0.822 136 A HN 0.767 9.293 8.150 -0.002 -0.377 0.444 137 P HA -0.234 nan 4.420 nan 0.000 0.213 137 P C 1.123 178.483 177.300 0.101 0.000 1.170 137 P CA 2.821 65.891 63.100 -0.049 0.000 0.898 137 P CB -0.623 31.134 31.700 0.095 0.000 0.787 138 I N -2.570 118.034 120.570 0.058 0.000 2.454 138 I HA -0.339 nan 4.170 nan 0.000 0.254 138 I C 1.536 177.603 176.117 -0.082 0.000 1.156 138 I CA 2.037 63.310 61.300 -0.044 0.000 1.433 138 I CB -0.320 37.688 38.000 0.013 0.000 1.082 138 I HN 0.029 8.289 8.210 0.083 0.000 0.432 139 T N 3.636 118.193 114.554 0.005 0.000 2.708 139 T HA -0.317 nan 4.350 nan 0.000 0.266 139 T C 2.153 176.722 174.700 -0.218 0.000 1.037 139 T CA 5.588 67.646 62.100 -0.070 0.000 1.146 139 T CB -0.529 68.241 68.868 -0.162 0.000 0.865 139 T HN -0.519 7.730 8.240 0.033 0.011 0.435 140 Y N 0.806 121.235 120.300 0.215 0.000 2.314 140 Y HA -0.294 nan 4.550 nan 0.000 0.293 140 Y C 1.443 177.469 175.900 0.210 0.000 1.129 140 Y CA 3.018 61.276 58.100 0.264 0.000 1.201 140 Y CB -0.761 37.946 38.460 0.411 0.000 0.999 140 Y HN -0.176 8.140 8.280 0.060 0.000 0.541 141 A N -0.291 122.656 122.820 0.211 0.000 1.877 141 A HA -0.422 nan 4.320 nan 0.000 0.216 141 A C 1.818 179.488 177.584 0.143 0.000 1.186 141 A CA 3.434 55.557 52.037 0.143 0.000 0.620 141 A CB -1.160 17.867 19.000 0.044 0.000 0.822 141 A HN 0.519 8.785 8.150 0.194 0.000 0.443 142 H N -1.356 117.807 119.070 0.153 0.000 2.319 142 H HA -0.398 nan 4.556 nan 0.000 0.297 142 H C 2.858 178.238 175.328 0.086 0.000 1.097 142 H CA 3.678 59.824 56.048 0.162 0.000 1.285 142 H CB -0.026 29.832 29.762 0.162 0.000 1.368 142 H HN -0.231 7.973 8.280 -0.126 0.000 0.495 143 R N -1.319 119.278 120.500 0.162 0.000 2.115 143 R HA -0.328 nan 4.340 nan 0.000 0.230 143 R C 2.460 178.814 176.300 0.090 0.000 1.111 143 R CA 3.174 59.319 56.100 0.075 0.000 0.976 143 R CB -0.337 29.984 30.300 0.035 0.000 0.870 143 R HN -0.006 8.259 8.270 0.134 0.085 0.445 144 L N -0.898 120.418 121.223 0.155 0.000 2.017 144 L HA -0.212 nan 4.340 nan 0.000 0.208 144 L C 2.359 179.287 176.870 0.098 0.000 1.073 144 L CA 2.985 57.909 54.840 0.140 0.000 0.745 144 L CB -1.265 40.904 42.059 0.183 0.000 0.894 144 L HN 0.214 8.562 8.230 0.197 0.000 0.432 145 V N -4.090 115.904 119.914 0.134 0.000 2.407 145 V HA -0.471 nan 4.120 nan 0.000 0.248 145 V C 2.252 178.334 176.094 -0.019 0.000 1.055 145 V CA 3.684 66.076 62.300 0.152 0.000 1.049 145 V CB -1.428 30.585 31.823 0.316 0.000 0.662 145 V HN -0.467 7.829 8.190 0.177 0.000 0.455 146 Q N 0.471 120.104 119.800 -0.279 0.000 2.096 146 Q HA -0.412 nan 4.340 nan 0.000 0.204 146 Q C 2.319 178.157 176.000 -0.269 0.000 0.982 146 Q CA 3.597 59.035 55.803 -0.608 0.000 0.850 146 Q CB -0.377 28.028 28.738 -0.554 0.000 0.901 146 Q HN 0.146 8.328 8.270 -0.146 0.000 0.422 147 R N -0.533 119.888 120.500 -0.133 0.000 2.081 147 R HA -0.316 nan 4.340 nan 0.000 0.235 147 R C 1.988 178.246 176.300 -0.070 0.000 1.131 147 R CA 2.683 58.737 56.100 -0.077 0.000 0.960 147 R CB -0.704 29.583 30.300 -0.021 0.000 0.856 147 R HN -0.332 7.880 8.270 -0.096 0.000 0.436 148 Q N -0.684 119.091 119.800 -0.043 0.000 2.002 148 Q HA -0.317 nan 4.340 nan 0.000 0.204 148 Q C 2.104 178.068 176.000 -0.060 0.000 0.988 148 Q CA 3.385 59.164 55.803 -0.040 0.000 0.843 148 Q CB -0.057 28.688 28.738 0.013 0.000 0.908 148 Q HN -0.167 8.091 8.270 -0.021 0.000 0.420 149 A N -1.380 121.419 122.820 -0.035 0.000 1.940 149 A HA -0.341 nan 4.320 nan 0.000 0.219 149 A C 1.998 179.548 177.584 -0.057 0.000 1.176 149 A CA 3.047 55.073 52.037 -0.019 0.000 0.631 149 A CB -1.073 17.968 19.000 0.069 0.000 0.814 149 A HN -0.291 7.838 8.150 -0.035 0.000 0.446 150 E N -1.051 119.097 120.200 -0.086 0.000 2.005 150 E HA -0.344 nan 4.350 nan 0.000 0.198 150 E C 2.000 178.548 176.600 -0.087 0.000 1.010 150 E CA 3.408 59.757 56.400 -0.084 0.000 0.825 150 E CB 0.299 29.941 29.700 -0.096 0.000 0.769 150 E HN -0.106 8.072 8.360 -0.110 0.116 0.456 151 V N -3.417 116.437 119.914 -0.100 0.000 2.568 151 V HA -0.342 nan 4.120 nan 0.000 0.253 151 V C 1.979 177.977 176.094 -0.160 0.000 1.072 151 V CA 3.251 65.477 62.300 -0.124 0.000 1.084 151 V CB -1.245 30.497 31.823 -0.135 0.000 0.676 151 V HN 0.120 8.252 8.190 -0.096 0.000 0.469 152 R N 0.850 121.254 120.500 -0.160 0.000 2.070 152 R HA -0.354 nan 4.340 nan 0.000 0.232 152 R C 2.475 178.701 176.300 -0.123 0.000 1.138 152 R CA 3.724 59.722 56.100 -0.170 0.000 0.936 152 R CB -0.167 30.051 30.300 -0.137 0.000 0.839 152 R HN 0.162 8.332 8.270 -0.137 0.018 0.429 153 K N -1.890 118.456 120.400 -0.089 0.000 2.155 153 K HA -0.183 nan 4.320 nan 0.000 0.203 153 K C 1.563 178.128 176.600 -0.058 0.000 1.052 153 K CA 2.327 58.577 56.287 -0.062 0.000 0.948 153 K CB 0.135 32.609 32.500 -0.042 0.000 0.728 153 K HN -0.123 7.992 8.250 -0.085 0.084 0.448 154 N N -3.075 115.585 118.700 -0.066 0.000 2.389 154 N HA 0.064 nan 4.740 nan 0.000 0.237 154 N C 0.962 176.436 175.510 -0.061 0.000 1.148 154 N CA -0.401 52.615 53.050 -0.057 0.000 0.854 154 N CB -0.178 38.276 38.487 -0.054 0.000 1.115 154 N HN -0.279 8.055 8.380 -0.076 0.000 0.492 155 G N -0.104 108.654 108.800 -0.070 0.000 2.353 155 G HA2 -0.460 nan 3.960 nan 0.000 0.258 155 G HA3 -0.460 nan 3.960 nan 0.000 0.258 155 G C 0.291 175.143 174.900 -0.080 0.000 1.013 155 G CA 1.693 46.754 45.100 -0.064 0.000 0.622 155 G HN -0.155 8.010 8.290 -0.076 0.079 0.535 156 T N 2.898 117.397 114.554 -0.092 0.000 2.607 156 T HA -0.272 nan 4.350 nan 0.000 0.267 156 T C 0.618 175.233 174.700 -0.142 0.000 1.049 156 T CA 2.785 64.829 62.100 -0.094 0.000 1.162 156 T CB 0.192 69.003 68.868 -0.095 0.000 0.863 156 T HN -0.406 7.690 8.240 -0.087 0.092 0.424 157 L N -0.476 120.584 121.223 -0.271 0.000 2.935 157 L HA 0.615 nan 4.340 nan 0.000 0.243 157 L C -1.741 174.710 176.870 -0.698 0.000 1.313 157 L CA -2.757 51.752 54.840 -0.551 0.000 0.969 157 L CB 0.600 42.234 42.059 -0.708 0.000 1.320 157 L HN -0.691 7.386 8.230 -0.255 0.000 0.511 158 P HA -0.093 nan 4.420 nan 0.000 0.247 158 P C -0.385 176.845 177.300 -0.117 0.000 1.225 158 P CA 1.052 64.031 63.100 -0.201 0.000 0.768 158 P CB -0.559 31.098 31.700 -0.072 0.000 1.020 159 W N -4.616 116.689 121.300 0.007 0.000 3.047 159 W HA 0.063 nan 4.660 nan 0.000 0.250 159 W C -1.175 175.357 176.519 0.022 0.000 1.314 159 W CA -2.098 55.259 57.345 0.020 0.000 1.540 159 W CB -0.623 28.857 29.460 0.033 0.000 1.127 159 W HN -1.019 6.566 8.180 -0.832 0.096 0.679 160 L N -4.809 116.282 121.223 -0.219 0.000 2.334 160 L HA 0.424 nan 4.340 nan 0.000 0.277 160 L C -1.300 175.520 176.870 -0.083 0.000 1.075 160 L CA -0.873 53.914 54.840 -0.088 0.000 0.804 160 L CB 1.131 43.045 42.059 -0.242 0.000 1.174 160 L HN -0.609 7.267 8.230 -0.506 0.050 0.438 161 R N 1.459 121.915 120.500 -0.073 0.000 2.705 161 R HA 0.376 nan 4.340 nan 0.000 0.246 161 R C -0.749 175.433 176.300 -0.197 0.000 1.142 161 R CA -2.514 53.503 56.100 -0.139 0.000 1.114 161 R CB -0.245 29.985 30.300 -0.117 0.000 1.256 161 R HN 0.246 8.372 8.270 -0.056 0.110 0.536 162 P HA -0.186 nan 4.420 nan 0.000 0.217 162 P C -0.849 176.416 177.300 -0.057 0.000 1.150 162 P CA 1.783 64.730 63.100 -0.255 0.000 0.832 162 P CB 0.429 31.764 31.700 -0.609 0.000 0.787 163 D N -1.791 118.601 120.400 -0.015 0.000 2.304 163 D HA 0.237 nan 4.640 nan 0.000 0.250 163 D C -2.257 174.079 176.300 0.059 0.000 1.107 163 D CA 0.177 54.244 54.000 0.112 0.000 0.885 163 D CB 1.610 42.530 40.800 0.199 0.000 1.192 163 D HN -0.694 7.862 8.370 -0.078 -0.232 0.436 164 A N 2.695 125.653 122.820 0.230 0.000 2.594 164 A HA 0.520 nan 4.320 nan 0.000 0.296 164 A C -2.556 175.198 177.584 0.284 0.000 1.056 164 A CA 0.004 52.193 52.037 0.252 0.000 0.693 164 A CB 3.345 22.439 19.000 0.157 0.000 1.278 164 A HN -0.229 8.099 8.150 0.297 0.000 0.408 165 K N -0.470 120.096 120.400 0.276 0.000 2.426 165 K HA 0.884 nan 4.320 nan 0.000 0.251 165 K C -1.770 174.936 176.600 0.176 0.000 0.941 165 K CA -1.978 54.428 56.287 0.198 0.000 0.808 165 K CB 4.293 36.898 32.500 0.175 0.000 1.265 165 K HN 0.464 8.897 8.250 0.304 0.000 0.432 166 S N 0.640 116.426 115.700 0.143 0.000 2.564 166 S HA 0.770 nan 4.470 nan 0.000 0.274 166 S C -2.245 172.426 174.600 0.117 0.000 1.124 166 S CA -1.632 56.658 58.200 0.149 0.000 0.869 166 S CB 3.775 67.075 63.200 0.167 0.000 1.105 166 S HN 0.727 9.106 8.310 0.115 0.000 0.472 167 Q N 0.464 120.341 119.800 0.128 0.000 2.352 167 Q HA 0.674 nan 4.340 nan 0.000 0.270 167 Q C -3.343 172.740 176.000 0.139 0.000 1.006 167 Q CA 0.141 56.004 55.803 0.100 0.000 0.880 167 Q CB 4.425 33.195 28.738 0.054 0.000 1.392 167 Q HN 0.186 8.549 8.270 0.155 0.000 0.401 168 V N 4.986 124.996 119.914 0.160 0.000 2.709 168 V HA 0.812 nan 4.120 nan 0.000 0.308 168 V C -3.114 173.114 176.094 0.222 0.000 1.062 168 V CA -2.177 60.250 62.300 0.212 0.000 0.901 168 V CB 4.126 36.145 31.823 0.328 0.000 1.003 168 V HN 0.426 8.700 8.190 0.141 0.000 0.425 169 T N 7.897 122.549 114.554 0.163 0.000 2.812 169 T HA 0.790 nan 4.350 nan 0.000 0.282 169 T C -2.011 172.785 174.700 0.162 0.000 0.990 169 T CA -2.249 59.944 62.100 0.156 0.000 0.960 169 T CB 1.660 70.559 68.868 0.052 0.000 0.948 169 T HN 0.407 8.701 8.240 0.090 0.000 0.438 170 F N 6.373 126.362 119.950 0.064 0.000 2.480 170 F HA 0.696 nan 4.527 nan 0.000 0.329 170 F C -2.114 173.730 175.800 0.073 0.000 1.091 170 F CA -1.246 56.763 58.000 0.015 0.000 0.972 170 F CB 4.131 43.181 39.000 0.084 0.000 1.150 170 F HN 0.984 9.539 8.300 0.425 0.000 0.467 171 Q N 1.999 121.836 119.800 0.061 0.000 2.256 171 Q HA 0.639 nan 4.340 nan 0.000 0.257 171 Q C -1.709 174.288 176.000 -0.004 0.000 0.936 171 Q CA -1.322 54.505 55.803 0.041 0.000 0.903 171 Q CB 3.474 32.172 28.738 -0.067 0.000 1.263 171 Q HN 0.768 8.946 8.270 -0.153 0.000 0.440 172 Y N 4.604 124.732 120.300 -0.287 0.000 2.425 172 Y HA 0.542 nan 4.550 nan 0.000 0.344 172 Y C -1.681 174.002 175.900 -0.363 0.000 0.969 172 Y CA -1.118 56.795 58.100 -0.312 0.000 1.052 172 Y CB 3.073 41.316 38.460 -0.361 0.000 1.215 172 Y HN 0.788 9.026 8.280 -0.070 0.000 0.451 173 D N 0.981 121.375 120.400 -0.010 0.000 2.446 173 D HA 0.089 nan 4.640 nan 0.000 0.288 173 D C -1.004 175.395 176.300 0.165 0.000 1.195 173 D CA -1.202 52.827 54.000 0.049 0.000 1.095 173 D CB 2.677 43.497 40.800 0.033 0.000 1.153 173 D HN 0.163 8.526 8.370 -0.011 0.000 0.568 174 D N -0.222 120.266 120.400 0.147 0.000 2.357 174 D HA -0.227 nan 4.640 nan 0.000 0.265 174 D C 0.382 176.771 176.300 0.149 0.000 1.334 174 D CA 1.560 55.656 54.000 0.161 0.000 0.984 174 D CB -0.590 40.268 40.800 0.095 0.000 1.077 174 D HN 0.062 8.493 8.370 0.101 0.000 0.514 175 G N 4.549 113.477 108.800 0.213 0.000 2.220 175 G HA2 -0.519 nan 3.960 nan 0.000 0.269 175 G HA3 -0.519 nan 3.960 nan 0.000 0.269 175 G C -1.064 173.979 174.900 0.239 0.000 0.977 175 G CA 0.449 45.665 45.100 0.193 0.000 0.634 175 G HN 0.159 8.631 8.290 0.304 0.000 0.539 176 K N 1.014 121.522 120.400 0.179 0.000 2.307 176 K HA 0.238 nan 4.320 nan 0.000 0.263 176 K C -0.851 175.668 176.600 -0.136 0.000 0.973 176 K CA -2.048 54.261 56.287 0.038 0.000 0.846 176 K CB 1.389 33.907 32.500 0.029 0.000 1.100 176 K HN -0.712 7.479 8.250 0.196 0.177 0.438 177 I N 4.070 124.402 120.570 -0.396 0.000 2.821 177 I HA -0.311 nan 4.170 nan 0.000 0.294 177 I C 0.596 176.481 176.117 -0.387 0.000 1.210 177 I CA 2.089 62.964 61.300 -0.708 0.000 1.430 177 I CB -0.441 37.188 38.000 -0.618 0.000 1.356 177 I HN 0.474 8.530 8.210 -0.257 0.000 0.563 178 V N 2.900 122.588 119.914 -0.376 0.000 2.788 178 V HA 0.409 nan 4.120 nan 0.000 0.241 178 V C -0.122 175.787 176.094 -0.309 0.000 1.083 178 V CA -0.151 62.011 62.300 -0.230 0.000 1.103 178 V CB 1.450 33.191 31.823 -0.136 0.000 0.800 178 V HN 0.875 8.704 8.190 -0.422 0.108 0.476 179 G N -1.033 107.467 108.800 -0.501 0.000 2.321 179 G HA2 0.149 nan 3.960 nan 0.000 0.296 179 G HA3 0.149 nan 3.960 nan 0.000 0.296 179 G C -3.363 171.132 174.900 -0.675 0.000 1.287 179 G CA 0.768 45.547 45.100 -0.534 0.000 0.846 179 G HN -0.788 7.205 8.290 -0.495 0.000 0.508 180 I N -0.612 119.620 120.570 -0.563 0.000 2.330 180 I HA 0.306 nan 4.170 nan 0.000 0.289 180 I C -1.098 174.798 176.117 -0.367 0.000 1.001 180 I CA -0.550 60.381 61.300 -0.615 0.000 1.193 180 I CB 1.265 38.923 38.000 -0.570 0.000 1.345 180 I HN 0.456 8.365 8.210 -0.347 0.093 0.461 181 D N 9.149 129.382 120.400 -0.279 0.000 2.106 181 D HA -0.069 nan 4.640 nan 0.000 0.203 181 D C -1.199 174.971 176.300 -0.218 0.000 0.977 181 D CA 2.875 56.759 54.000 -0.194 0.000 0.844 181 D CB 1.606 42.343 40.800 -0.105 0.000 1.002 181 D HN 0.161 8.371 8.370 -0.267 0.000 0.461 182 A N -4.409 118.317 122.820 -0.156 0.000 2.475 182 A HA 0.710 nan 4.320 nan 0.000 0.301 182 A C -2.516 175.037 177.584 -0.050 0.000 1.059 182 A CA -0.934 51.039 52.037 -0.106 0.000 0.710 182 A CB 3.528 22.580 19.000 0.087 0.000 1.288 182 A HN -0.771 7.309 8.150 -0.117 0.000 0.408 183 V N 0.898 120.807 119.914 -0.009 0.000 2.638 183 V HA 0.749 nan 4.120 nan 0.000 0.306 183 V C -1.928 174.343 176.094 0.295 0.000 1.052 183 V CA -0.801 61.590 62.300 0.150 0.000 0.885 183 V CB 3.259 35.234 31.823 0.253 0.000 0.999 183 V HN 0.485 8.646 8.190 -0.048 0.000 0.424 184 V N 6.474 126.547 119.914 0.265 0.000 2.656 184 V HA 1.075 nan 4.120 nan 0.000 0.307 184 V C -2.947 173.283 176.094 0.226 0.000 1.051 184 V CA -2.625 59.839 62.300 0.274 0.000 0.893 184 V CB 3.156 35.084 31.823 0.174 0.000 0.999 184 V HN 0.697 9.016 8.190 0.215 0.000 0.426 185 L N 7.913 129.274 121.223 0.229 0.000 2.505 185 L HA 0.750 nan 4.340 nan 0.000 0.266 185 L C -2.578 174.424 176.870 0.220 0.000 0.954 185 L CA -0.347 54.617 54.840 0.207 0.000 0.852 185 L CB 4.194 46.367 42.059 0.191 0.000 1.282 185 L HN 0.702 9.083 8.230 0.252 0.000 0.403 186 S N 6.955 122.805 115.700 0.250 0.000 2.647 186 S HA 0.666 nan 4.470 nan 0.000 0.300 186 S C -2.377 172.457 174.600 0.391 0.000 1.129 186 S CA -0.944 57.460 58.200 0.340 0.000 1.029 186 S CB 2.158 65.556 63.200 0.331 0.000 1.007 186 S HN 0.550 9.005 8.310 0.241 0.000 0.484 187 T N 4.860 119.601 114.554 0.312 0.000 2.863 187 T HA 0.607 nan 4.350 nan 0.000 0.285 187 T C -1.770 172.799 174.700 -0.219 0.000 1.009 187 T CA -1.810 60.333 62.100 0.072 0.000 0.989 187 T CB 2.241 71.175 68.868 0.110 0.000 1.004 187 T HN 0.654 9.445 8.240 0.348 -0.343 0.455 188 Q N 6.728 126.060 119.800 -0.781 0.000 2.373 188 Q HA 0.377 nan 4.340 nan 0.000 0.255 188 Q C -0.893 174.989 176.000 -0.195 0.000 0.980 188 Q CA 0.372 55.611 55.803 -0.941 0.000 0.882 188 Q CB 1.450 29.685 28.738 -0.839 0.000 1.249 188 Q HN 0.524 8.442 8.270 -0.588 0.000 0.438 189 H N 1.110 120.136 119.070 -0.074 0.000 3.017 189 H HA 0.681 nan 4.556 nan 0.000 0.346 189 H C -1.722 173.672 175.328 0.109 0.000 1.286 189 H CA -2.186 53.943 56.048 0.134 0.000 1.120 189 H CB 3.645 33.577 29.762 0.283 0.000 1.860 189 H HN 0.603 8.569 8.280 -0.523 0.000 0.542 190 S N 0.054 115.886 115.700 0.220 0.000 2.624 190 S HA 0.081 nan 4.470 nan 0.000 0.263 190 S C 1.092 175.766 174.600 0.124 0.000 1.287 190 S CA -1.177 57.086 58.200 0.105 0.000 0.990 190 S CB 1.830 65.120 63.200 0.150 0.000 0.950 190 S HN 0.214 8.771 8.310 0.412 0.000 0.561 191 E N 0.395 120.628 120.200 0.054 0.000 2.409 191 E HA -0.175 nan 4.350 nan 0.000 0.198 191 E C 0.580 177.212 176.600 0.054 0.000 1.024 191 E CA 2.296 58.729 56.400 0.055 0.000 0.861 191 E CB -0.824 28.891 29.700 0.024 0.000 0.788 191 E HN 0.392 8.769 8.360 0.029 0.000 0.521 192 E N -0.654 119.580 120.200 0.056 0.000 2.028 192 E HA -0.217 nan 4.350 nan 0.000 0.191 192 E C 0.442 177.004 176.600 -0.065 0.000 0.988 192 E CA 1.450 57.859 56.400 0.016 0.000 0.799 192 E CB 0.338 30.071 29.700 0.054 0.000 0.755 192 E HN -0.500 7.836 8.360 0.086 0.076 0.447 193 I N -0.805 119.678 120.570 -0.145 0.000 2.662 193 I HA -0.099 nan 4.170 nan 0.000 0.291 193 I C -1.874 174.078 176.117 -0.274 0.000 1.046 193 I CA -0.033 61.027 61.300 -0.401 0.000 1.361 193 I CB 1.133 38.531 38.000 -1.002 0.000 1.429 193 I HN -0.594 7.593 8.210 -0.039 0.000 0.558 194 D N 4.826 125.056 120.400 -0.284 0.000 2.585 194 D HA 0.247 nan 4.640 nan 0.000 0.254 194 D C 0.818 176.965 176.300 -0.255 0.000 1.067 194 D CA -1.527 52.346 54.000 -0.210 0.000 1.090 194 D CB 2.605 43.345 40.800 -0.100 0.000 1.408 194 D HN -0.124 8.069 8.370 -0.295 0.000 0.554 195 Q N -0.269 119.425 119.800 -0.178 0.000 2.119 195 Q HA -0.223 nan 4.340 nan 0.000 0.201 195 Q C 2.122 178.044 176.000 -0.129 0.000 0.972 195 Q CA 3.252 58.957 55.803 -0.165 0.000 0.847 195 Q CB -0.173 28.519 28.738 -0.076 0.000 0.903 195 Q HN 0.493 8.694 8.270 -0.115 0.000 0.433 196 K N -0.100 120.239 120.400 -0.102 0.000 2.057 196 K HA -0.211 nan 4.320 nan 0.000 0.207 196 K C 2.547 179.090 176.600 -0.095 0.000 1.049 196 K CA 2.463 58.704 56.287 -0.077 0.000 0.931 196 K CB -0.646 31.819 32.500 -0.059 0.000 0.714 196 K HN 0.286 8.477 8.250 -0.098 0.000 0.440 197 S N 0.248 115.865 115.700 -0.139 0.000 2.368 197 S HA -0.259 nan 4.470 nan 0.000 0.224 197 S C 2.013 176.506 174.600 -0.178 0.000 1.029 197 S CA 2.812 60.920 58.200 -0.153 0.000 0.988 197 S CB -0.167 62.912 63.200 -0.201 0.000 0.838 197 S HN -0.650 7.567 8.310 -0.155 0.000 0.462 198 L N 2.423 123.465 121.223 -0.301 0.000 2.013 198 L HA -0.466 nan 4.340 nan 0.000 0.212 198 L C 1.186 178.059 176.870 0.005 0.000 1.073 198 L CA 3.418 58.099 54.840 -0.265 0.000 0.753 198 L CB -0.128 41.698 42.059 -0.388 0.000 0.890 198 L HN -0.201 7.824 8.230 -0.341 0.000 0.432 199 Q N -2.252 117.530 119.800 -0.031 0.000 2.096 199 Q HA -0.487 nan 4.340 nan 0.000 0.204 199 Q C 2.601 178.602 176.000 0.002 0.000 0.982 199 Q CA 3.512 59.317 55.803 0.003 0.000 0.850 199 Q CB -0.332 28.398 28.738 -0.014 0.000 0.901 199 Q HN 0.011 8.233 8.270 -0.079 0.000 0.422 200 E N -0.072 120.123 120.200 -0.008 0.000 2.038 200 E HA -0.393 nan 4.350 nan 0.000 0.195 200 E C 2.057 178.678 176.600 0.034 0.000 1.000 200 E CA 3.274 59.671 56.400 -0.005 0.000 0.803 200 E CB -0.380 29.317 29.700 -0.004 0.000 0.750 200 E HN -0.683 7.663 8.360 -0.024 0.000 0.448 201 A N -1.409 121.475 122.820 0.107 0.000 1.877 201 A HA -0.233 nan 4.320 nan 0.000 0.216 201 A C 2.182 179.841 177.584 0.125 0.000 1.186 201 A CA 3.323 55.470 52.037 0.184 0.000 0.620 201 A CB -0.711 18.575 19.000 0.475 0.000 0.822 201 A HN -0.329 7.881 8.150 0.101 0.000 0.443 202 V N -2.639 117.356 119.914 0.135 0.000 2.358 202 V HA -0.342 nan 4.120 nan 0.000 0.246 202 V C 1.759 177.862 176.094 0.015 0.000 1.047 202 V CA 3.816 66.163 62.300 0.078 0.000 1.035 202 V CB -0.726 31.159 31.823 0.103 0.000 0.658 202 V HN 0.040 8.333 8.190 0.171 0.000 0.452 203 M N 0.339 119.926 119.600 -0.023 0.000 2.080 203 M HA -0.384 nan 4.480 nan 0.000 0.260 203 M C 2.171 178.425 176.300 -0.076 0.000 1.068 203 M CA 2.922 58.161 55.300 -0.102 0.000 1.109 203 M CB -1.522 30.990 32.600 -0.146 0.000 1.342 203 M HN -0.082 8.206 8.290 -0.004 0.000 0.405 204 E N -1.372 118.806 120.200 -0.037 0.000 2.028 204 E HA -0.238 nan 4.350 nan 0.000 0.190 204 E C 2.641 179.229 176.600 -0.020 0.000 0.984 204 E CA 2.562 58.946 56.400 -0.028 0.000 0.800 204 E CB -0.261 29.433 29.700 -0.010 0.000 0.758 204 E HN 0.094 8.443 8.360 -0.018 0.000 0.448 205 E N -3.644 116.550 120.200 -0.011 0.000 2.400 205 E HA 0.082 nan 4.350 nan 0.000 0.195 205 E C 1.351 177.940 176.600 -0.019 0.000 1.012 205 E CA 1.355 57.744 56.400 -0.019 0.000 0.875 205 E CB 1.206 30.888 29.700 -0.029 0.000 0.859 205 E HN -0.115 8.246 8.360 0.002 0.000 0.498 206 I N -0.571 119.995 120.570 -0.006 0.000 3.393 206 I HA -0.082 nan 4.170 nan 0.000 0.250 206 I C 1.409 177.546 176.117 0.035 0.000 1.122 206 I CA 2.462 63.769 61.300 0.011 0.000 1.484 206 I CB 1.256 39.268 38.000 0.020 0.000 1.468 206 I HN -0.020 8.088 8.210 -0.004 0.099 0.461 207 I N -0.693 119.893 120.570 0.028 0.000 2.072 207 I HA -0.498 nan 4.170 nan 0.000 0.235 207 I C 2.396 178.531 176.117 0.030 0.000 1.058 207 I CA 3.653 64.979 61.300 0.043 0.000 1.320 207 I CB -0.661 37.318 38.000 -0.035 0.000 1.047 207 I HN -0.029 8.186 8.210 0.009 0.000 0.397 208 K N 0.225 120.612 120.400 -0.022 0.000 2.103 208 K HA -0.200 nan 4.320 nan 0.000 0.207 208 K C -0.968 175.633 176.600 0.001 0.000 1.048 208 K CA 3.839 60.115 56.287 -0.019 0.000 0.930 208 K CB -1.677 30.796 32.500 -0.045 0.000 0.716 208 K HN -0.208 8.012 8.250 -0.051 0.000 0.444 209 P HA -0.092 nan 4.420 nan 0.000 0.241 209 P C -0.594 176.730 177.300 0.040 0.000 1.191 209 P CA 0.905 64.011 63.100 0.011 0.000 0.771 209 P CB 0.319 32.021 31.700 0.003 0.000 0.929 210 I N -4.962 115.654 120.570 0.077 0.000 3.883 210 I HA 0.102 nan 4.170 nan 0.000 0.305 210 I C -0.504 175.733 176.117 0.200 0.000 1.247 210 I CA -0.022 61.370 61.300 0.153 0.000 1.350 210 I CB 1.760 39.864 38.000 0.174 0.000 1.194 210 I HN -0.374 7.710 8.210 0.071 0.169 0.441 211 L N 0.276 121.573 121.223 0.123 0.000 2.290 211 L HA 0.222 nan 4.340 nan 0.000 0.284 211 L C -1.925 174.898 176.870 -0.078 0.000 1.078 211 L CA -2.185 52.682 54.840 0.045 0.000 0.815 211 L CB -0.085 42.040 42.059 0.111 0.000 1.162 211 L HN -0.750 7.541 8.230 0.102 0.000 0.435 212 P HA 0.010 nan 4.420 nan 0.000 0.266 212 P C -0.773 176.352 177.300 -0.292 0.000 1.215 212 P CA -0.122 62.709 63.100 -0.449 0.000 0.763 212 P CB 1.090 32.115 31.700 -1.124 0.000 0.806 213 A N 7.354 130.058 122.820 -0.194 0.000 1.969 213 A HA -0.251 nan 4.320 nan 0.000 0.218 213 A C 2.354 179.893 177.584 -0.074 0.000 1.169 213 A CA 2.825 54.808 52.037 -0.089 0.000 0.635 213 A CB -0.466 18.492 19.000 -0.070 0.000 0.810 213 A HN 0.493 8.515 8.150 -0.213 0.000 0.445 214 E N -0.508 119.599 120.200 -0.155 0.000 2.153 214 E HA -0.246 nan 4.350 nan 0.000 0.194 214 E C 0.832 177.471 176.600 0.066 0.000 0.988 214 E CA 2.854 59.201 56.400 -0.089 0.000 0.811 214 E CB -0.805 28.790 29.700 -0.175 0.000 0.746 214 E HN 0.599 8.776 8.360 -0.250 0.033 0.466 215 W N -3.750 117.477 121.300 -0.123 0.000 2.584 215 W HA -0.042 nan 4.660 nan 0.000 0.264 215 W C -0.420 175.982 176.519 -0.195 0.000 1.264 215 W CA -0.744 56.486 57.345 -0.191 0.000 1.306 215 W CB 0.069 29.353 29.460 -0.293 0.000 1.110 215 W HN -0.567 7.392 8.180 -0.158 0.126 0.606 216 L N -2.332 118.938 121.223 0.079 0.000 2.334 216 L HA 0.238 nan 4.340 nan 0.000 0.277 216 L C -0.171 176.712 176.870 0.022 0.000 1.075 216 L CA -0.224 54.636 54.840 0.033 0.000 0.804 216 L CB 0.699 42.840 42.059 0.137 0.000 1.174 216 L HN -0.576 7.521 8.230 0.068 0.174 0.438 217 T N -2.526 112.018 114.554 -0.016 0.000 2.773 217 T HA 0.449 nan 4.350 nan 0.000 0.278 217 T C 1.514 176.220 174.700 0.009 0.000 1.011 217 T CA -1.434 60.660 62.100 -0.009 0.000 1.014 217 T CB 2.619 71.463 68.868 -0.039 0.000 1.293 217 T HN 0.495 8.696 8.240 -0.065 0.000 0.554 218 S N 2.543 118.245 115.700 0.002 0.000 2.419 218 S HA -0.199 nan 4.470 nan 0.000 0.235 218 S C 0.485 175.074 174.600 -0.019 0.000 1.019 218 S CA 2.764 60.966 58.200 0.003 0.000 0.982 218 S CB -0.517 62.680 63.200 -0.005 0.000 0.789 218 S HN 0.455 8.764 8.310 -0.002 0.000 0.490 219 A N -1.227 121.562 122.820 -0.051 0.000 2.238 219 A HA 0.150 nan 4.320 nan 0.000 0.210 219 A C -0.723 176.769 177.584 -0.155 0.000 1.179 219 A CA 0.036 52.023 52.037 -0.083 0.000 0.827 219 A CB 0.628 19.582 19.000 -0.076 0.000 0.856 219 A HN -0.479 7.600 8.150 -0.051 0.041 0.488 220 T N 3.303 117.724 114.554 -0.223 0.000 2.751 220 T HA -0.163 nan 4.350 nan 0.000 0.290 220 T C -0.235 174.108 174.700 -0.595 0.000 0.919 220 T CA 1.012 62.821 62.100 -0.486 0.000 1.136 220 T CB -0.823 67.623 68.868 -0.704 0.000 0.875 220 T HN -0.673 7.329 8.240 -0.146 0.151 0.532 221 K N 7.447 127.578 120.400 -0.449 0.000 2.336 221 K HA 0.027 nan 4.320 nan 0.000 0.290 221 K C -0.917 175.370 176.600 -0.523 0.000 1.067 221 K CA -0.230 55.792 56.287 -0.440 0.000 0.962 221 K CB 0.114 32.436 32.500 -0.297 0.000 1.008 221 K HN 0.390 8.429 8.250 -0.351 0.000 0.467 222 F N 3.282 123.013 119.950 -0.364 0.000 2.420 222 F HA 0.405 nan 4.527 nan 0.000 0.342 222 F C -0.099 175.506 175.800 -0.326 0.000 1.113 222 F CA -0.983 56.896 58.000 -0.201 0.000 1.059 222 F CB 1.767 40.712 39.000 -0.092 0.000 1.128 222 F HN -0.148 8.067 8.300 -0.142 0.000 0.475 223 F N 4.326 124.397 119.950 0.202 0.000 2.552 223 F HA 0.277 nan 4.527 nan 0.000 0.369 223 F C -1.574 174.307 175.800 0.135 0.000 1.112 223 F CA -1.150 56.928 58.000 0.131 0.000 1.129 223 F CB 1.601 40.653 39.000 0.087 0.000 1.360 223 F HN 0.908 9.481 8.300 0.456 0.000 0.473 224 I N 2.895 123.623 120.570 0.264 0.000 2.353 224 I HA -0.013 nan 4.170 nan 0.000 0.293 224 I C -0.227 176.002 176.117 0.188 0.000 0.992 224 I CA -0.471 60.950 61.300 0.202 0.000 1.268 224 I CB 0.706 38.783 38.000 0.129 0.000 1.387 224 I HN 0.188 8.526 8.210 0.213 0.000 0.478 225 N N 7.201 126.021 118.700 0.199 0.000 2.689 225 N HA -0.245 nan 4.740 nan 0.000 0.263 225 N C -1.242 174.365 175.510 0.160 0.000 0.987 225 N CA 1.102 54.271 53.050 0.197 0.000 0.782 225 N CB -1.353 37.244 38.487 0.184 0.000 0.903 225 N HN 0.346 8.855 8.380 0.215 0.000 0.547 226 P HA -0.116 nan 4.420 nan 0.000 0.216 226 P C -0.027 177.327 177.300 0.090 0.000 1.150 226 P CA 1.790 64.975 63.100 0.140 0.000 0.837 226 P CB -0.360 31.398 31.700 0.096 0.000 0.786 227 T N -9.224 105.369 114.554 0.065 0.000 3.219 227 T HA 0.169 nan 4.350 nan 0.000 0.249 227 T C 0.930 175.671 174.700 0.070 0.000 1.099 227 T CA -0.894 61.232 62.100 0.043 0.000 0.988 227 T CB -0.396 68.472 68.868 0.000 0.000 0.999 227 T HN -0.136 8.141 8.240 0.061 0.000 0.550 228 G N 3.480 112.340 108.800 0.100 0.000 2.609 228 G HA2 -0.507 nan 3.960 nan 0.000 0.288 228 G HA3 -0.507 nan 3.960 nan 0.000 0.288 228 G C -1.455 173.570 174.900 0.207 0.000 1.211 228 G CA 0.264 45.434 45.100 0.117 0.000 0.963 228 G HN 0.143 8.293 8.290 0.104 0.202 0.541 229 R N 4.996 125.622 120.500 0.211 0.000 2.235 229 R HA 0.187 nan 4.340 nan 0.000 0.338 229 R C -1.312 175.193 176.300 0.341 0.000 1.087 229 R CA -0.816 55.486 56.100 0.338 0.000 0.948 229 R CB 0.367 30.798 30.300 0.218 0.000 1.099 229 R HN -0.209 8.147 8.270 0.143 0.000 0.483 230 F N 9.038 129.130 119.950 0.235 0.000 2.293 230 F HA 0.162 nan 4.527 nan 0.000 0.370 230 F C -2.400 173.264 175.800 -0.228 0.000 1.090 230 F CA -3.050 54.981 58.000 0.052 0.000 1.133 230 F CB 0.607 39.703 39.000 0.159 0.000 1.360 230 F HN -0.140 8.647 8.300 0.812 0.000 0.489 231 V N 7.341 127.283 119.914 0.047 0.000 3.219 231 V HA 0.158 nan 4.120 nan 0.000 0.240 231 V C -1.889 174.187 176.094 -0.029 0.000 1.222 231 V CA 0.433 62.627 62.300 -0.176 0.000 1.181 231 V CB 1.714 33.443 31.823 -0.157 0.000 0.941 231 V HN 0.062 8.377 8.190 0.209 0.000 0.471 232 I N -5.981 114.643 120.570 0.090 0.000 2.460 232 I HA 0.690 nan 4.170 nan 0.000 0.298 232 I C -0.489 175.754 176.117 0.210 0.000 0.989 232 I CA -1.992 59.373 61.300 0.109 0.000 1.173 232 I CB 2.042 40.086 38.000 0.073 0.000 1.338 232 I HN -0.681 7.613 8.210 0.139 0.000 0.456 233 G N 3.851 112.769 108.800 0.197 0.000 2.677 233 G HA2 0.412 nan 3.960 nan 0.000 0.283 233 G HA3 0.412 nan 3.960 nan 0.000 0.283 233 G C -1.418 173.531 174.900 0.083 0.000 1.221 233 G CA -0.314 44.942 45.100 0.260 0.000 0.851 233 G HN -0.218 8.171 8.290 0.164 0.000 0.504 234 G N -0.490 108.337 108.800 0.045 0.000 2.564 234 G HA2 -0.305 nan 3.960 nan 0.000 0.273 234 G HA3 -0.305 nan 3.960 nan 0.000 0.273 234 G C -2.059 172.589 174.900 -0.420 0.000 1.242 234 G CA 0.610 45.518 45.100 -0.320 0.000 0.951 234 G HN -0.450 8.304 8.290 0.165 -0.365 0.564 235 P HA -0.114 nan 4.420 nan 0.000 0.222 235 P C -1.045 176.074 177.300 -0.302 0.000 1.147 235 P CA 0.998 63.750 63.100 -0.580 0.000 0.790 235 P CB 0.422 31.473 31.700 -1.080 0.000 0.780 236 M N 0.038 119.514 119.600 -0.207 0.000 2.307 236 M HA -0.295 nan 4.480 nan 0.000 0.346 236 M C 0.481 176.749 176.300 -0.053 0.000 1.552 236 M CA -0.144 55.123 55.300 -0.056 0.000 1.116 236 M CB -0.701 31.903 32.600 0.007 0.000 1.889 236 M HN -0.716 7.352 8.290 -0.261 0.065 0.460 237 G N 4.429 113.206 108.800 -0.038 0.000 2.148 237 G HA2 -0.474 nan 3.960 nan 0.000 0.254 237 G HA3 -0.474 nan 3.960 nan 0.000 0.254 237 G C -1.274 173.589 174.900 -0.062 0.000 0.981 237 G CA 0.107 45.186 45.100 -0.035 0.000 0.670 237 G HN 0.377 8.649 8.290 -0.028 0.000 0.528 238 D N -1.571 118.770 120.400 -0.098 0.000 2.958 238 D HA 0.310 nan 4.640 nan 0.000 0.306 238 D C -2.926 173.277 176.300 -0.162 0.000 1.226 238 D CA -1.211 52.713 54.000 -0.126 0.000 1.032 238 D CB 2.825 43.534 40.800 -0.152 0.000 1.400 238 D HN -0.365 7.901 8.370 -0.111 0.037 0.587 239 C N -0.137 119.038 119.300 -0.207 0.000 3.050 239 C HA 0.390 nan 4.460 nan 0.000 0.416 239 C C -1.362 173.442 174.990 -0.310 0.000 0.994 239 C CA -1.042 57.810 59.018 -0.277 0.000 1.222 239 C CB 1.552 29.141 27.740 -0.253 0.000 1.612 239 C HN 0.219 8.329 8.230 -0.200 0.000 0.550 240 G N 6.226 114.815 108.800 -0.351 0.000 2.495 240 G HA2 0.484 nan 3.960 nan 0.000 0.318 240 G HA3 0.484 nan 3.960 nan 0.000 0.318 240 G C -3.224 171.506 174.900 -0.283 0.000 1.257 240 G CA -1.017 43.927 45.100 -0.260 0.000 0.962 240 G HN 0.888 8.834 8.290 -0.397 0.106 0.483 241 L N 0.658 121.772 121.223 -0.183 0.000 2.422 241 L HA 0.643 nan 4.340 nan 0.000 0.264 241 L C -0.351 176.490 176.870 -0.048 0.000 0.984 241 L CA -1.698 53.069 54.840 -0.122 0.000 0.819 241 L CB 4.399 46.387 42.059 -0.119 0.000 1.330 241 L HN -0.088 8.067 8.230 -0.125 0.000 0.410 242 T N 0.662 115.210 114.554 -0.011 0.000 2.940 242 T HA -0.099 nan 4.350 nan 0.000 0.309 242 T C 1.237 175.919 174.700 -0.031 0.000 1.056 242 T CA 0.977 63.072 62.100 -0.008 0.000 1.137 242 T CB 0.249 69.123 68.868 0.010 0.000 0.976 242 T HN 0.082 8.329 8.240 0.011 0.000 0.547 243 G N 7.783 116.552 108.800 -0.052 0.000 2.141 243 G HA2 -0.264 nan 3.960 nan 0.000 0.231 243 G HA3 -0.264 nan 3.960 nan 0.000 0.231 243 G C 0.170 175.004 174.900 -0.111 0.000 0.984 243 G CA 0.479 45.522 45.100 -0.095 0.000 0.660 243 G HN 0.325 8.898 8.290 -0.039 -0.306 0.525 244 R N -1.198 119.250 120.500 -0.086 0.000 2.112 244 R HA 0.063 nan 4.340 nan 0.000 0.216 244 R C 0.315 176.550 176.300 -0.108 0.000 1.080 244 R CA 0.778 56.824 56.100 -0.090 0.000 0.996 244 R CB 0.486 30.750 30.300 -0.060 0.000 0.902 244 R HN -0.602 7.580 8.270 -0.062 0.051 0.449 245 K N 0.009 120.352 120.400 -0.096 0.000 2.745 245 K HA 0.058 nan 4.320 nan 0.000 0.223 245 K C 0.744 177.260 176.600 -0.140 0.000 1.057 245 K CA -0.846 55.377 56.287 -0.106 0.000 1.217 245 K CB -1.250 31.201 32.500 -0.082 0.000 0.993 245 K HN -0.391 7.817 8.250 -0.070 0.000 0.478 246 I N 0.656 121.092 120.570 -0.223 0.000 2.121 246 I HA -0.455 nan 4.170 nan 0.000 0.243 246 I C 1.226 177.147 176.117 -0.327 0.000 1.047 246 I CA 3.401 64.481 61.300 -0.367 0.000 1.308 246 I CB 0.074 37.802 38.000 -0.455 0.000 1.015 246 I HN -0.055 7.897 8.210 -0.205 0.136 0.410 247 I N -2.844 117.572 120.570 -0.257 0.000 2.226 247 I HA -0.349 nan 4.170 nan 0.000 0.245 247 I C 2.133 178.239 176.117 -0.017 0.000 1.100 247 I CA 2.798 64.030 61.300 -0.113 0.000 1.374 247 I CB -1.722 36.220 38.000 -0.096 0.000 1.057 247 I HN -0.035 8.022 8.210 -0.255 0.000 0.413 248 V N 0.120 120.022 119.914 -0.020 0.000 2.332 248 V HA -0.482 nan 4.120 nan 0.000 0.248 248 V C 2.020 178.219 176.094 0.175 0.000 1.055 248 V CA 3.816 66.156 62.300 0.068 0.000 1.038 248 V CB -0.752 31.118 31.823 0.077 0.000 0.651 248 V HN -0.413 7.739 8.190 -0.064 0.000 0.450 249 D N -1.036 119.406 120.400 0.069 0.000 2.116 249 D HA -0.332 nan 4.640 nan 0.000 0.193 249 D C 2.183 178.465 176.300 -0.030 0.000 0.998 249 D CA 3.589 57.620 54.000 0.051 0.000 0.836 249 D CB -0.482 40.216 40.800 -0.170 0.000 0.951 249 D HN 0.388 8.752 8.370 -0.010 0.000 0.449 250 T N 1.291 115.802 114.554 -0.072 0.000 2.558 250 T HA -0.099 nan 4.350 nan 0.000 0.247 250 T C 1.046 175.583 174.700 -0.272 0.000 1.146 250 T CA 4.282 66.267 62.100 -0.192 0.000 1.289 250 T CB 0.642 69.569 68.868 0.098 0.000 0.905 250 T HN -0.651 7.552 8.240 -0.040 0.013 0.397 251 Y N -5.179 115.271 120.300 0.249 0.000 3.075 251 Y HA 0.079 nan 4.550 nan 0.000 0.270 251 Y C -0.293 175.662 175.900 0.092 0.000 1.071 251 Y CA -0.627 57.579 58.100 0.176 0.000 1.269 251 Y CB 2.058 40.569 38.460 0.085 0.000 1.291 251 Y HN -0.276 8.094 8.280 0.150 0.000 0.613 252 G N 0.233 109.138 108.800 0.174 0.000 2.233 252 G HA2 -0.481 nan 3.960 nan 0.000 0.270 252 G HA3 -0.481 nan 3.960 nan 0.000 0.270 252 G C 0.175 175.181 174.900 0.178 0.000 1.011 252 G CA 1.328 46.501 45.100 0.123 0.000 0.762 252 G HN -0.076 8.297 8.290 0.138 0.000 0.511 253 G N -4.339 104.567 108.800 0.177 0.000 2.175 253 G HA2 -0.424 nan 3.960 nan 0.000 0.244 253 G HA3 -0.424 nan 3.960 nan 0.000 0.244 253 G C 0.264 175.306 174.900 0.236 0.000 0.982 253 G CA 0.387 45.602 45.100 0.191 0.000 0.641 253 G HN -0.096 8.257 8.290 0.178 0.044 0.527 254 M N 0.670 120.302 119.600 0.052 0.000 2.156 254 M HA -0.175 nan 4.480 nan 0.000 0.264 254 M C -1.106 174.859 176.300 -0.557 0.000 1.067 254 M CA 1.601 56.647 55.300 -0.423 0.000 1.131 254 M CB 0.462 32.754 32.600 -0.512 0.000 1.368 254 M HN -0.002 8.308 8.290 0.134 0.061 0.416 255 A N -4.196 118.320 122.820 -0.507 0.000 2.313 255 A HA 0.434 nan 4.320 nan 0.000 0.323 255 A C -1.003 176.433 177.584 -0.247 0.000 1.133 255 A CA -1.413 50.303 52.037 -0.535 0.000 0.847 255 A CB 2.130 20.667 19.000 -0.771 0.000 1.308 255 A HN -0.648 7.354 8.150 -0.247 0.000 0.475 256 R N -0.688 119.559 120.500 -0.422 0.000 2.584 256 R HA 0.014 nan 4.340 nan 0.000 0.253 256 R C -0.844 175.258 176.300 -0.331 0.000 1.251 256 R CA -0.290 55.466 56.100 -0.572 0.000 1.129 256 R CB 1.229 30.811 30.300 -1.197 0.000 1.239 256 R HN 0.059 8.345 8.270 -0.496 -0.313 0.595 257 H N -3.581 115.326 119.070 -0.271 0.000 3.038 257 H HA 0.127 nan 4.556 nan 0.000 0.362 257 H C -0.784 174.718 175.328 0.290 0.000 1.167 257 H CA -0.436 55.685 56.048 0.121 0.000 1.197 257 H CB 2.416 32.193 29.762 0.024 0.000 1.840 257 H HN 0.019 8.168 8.280 -0.219 0.000 0.540 258 G N 1.937 111.012 108.800 0.458 0.000 2.525 258 G HA2 0.044 nan 3.960 nan 0.000 0.287 258 G HA3 0.044 nan 3.960 nan 0.000 0.287 258 G C -0.572 174.501 174.900 0.288 0.000 1.350 258 G CA -0.720 44.571 45.100 0.318 0.000 1.039 258 G HN 0.213 8.708 8.290 0.342 0.000 0.513 259 G N -1.381 107.514 108.800 0.159 0.000 2.469 259 G HA2 -0.277 nan 3.960 nan 0.000 0.220 259 G HA3 -0.277 nan 3.960 nan 0.000 0.220 259 G C 0.330 175.274 174.900 0.073 0.000 1.136 259 G CA 1.062 46.214 45.100 0.088 0.000 0.759 259 G HN 0.348 8.710 8.290 0.121 0.000 0.562 260 G N -0.812 108.055 108.800 0.112 0.000 2.390 260 G HA2 0.031 nan 3.960 nan 0.000 0.270 260 G HA3 0.031 nan 3.960 nan 0.000 0.270 260 G C -1.520 173.312 174.900 -0.113 0.000 1.211 260 G CA -1.497 43.610 45.100 0.012 0.000 0.842 260 G HN -0.493 7.842 8.290 0.178 0.062 0.519 261 A N 3.420 126.154 122.820 -0.143 0.000 2.332 261 A HA 0.220 nan 4.320 nan 0.000 0.258 261 A C 0.330 177.865 177.584 -0.082 0.000 1.087 261 A CA -0.203 51.693 52.037 -0.235 0.000 0.802 261 A CB 1.499 20.423 19.000 -0.127 0.000 1.042 261 A HN 0.091 8.188 8.150 -0.090 0.000 0.489 262 F N -0.446 119.392 119.950 -0.188 0.000 2.399 262 F HA 0.057 nan 4.527 nan 0.000 0.282 262 F C 0.428 176.134 175.800 -0.156 0.000 1.027 262 F CA 0.398 58.249 58.000 -0.249 0.000 1.333 262 F CB 0.447 39.232 39.000 -0.359 0.000 1.132 262 F HN 0.124 8.287 8.300 -0.228 0.000 0.590 263 S N -1.304 114.489 115.700 0.154 0.000 2.558 263 S HA -0.263 nan 4.470 nan 0.000 0.288 263 S C 1.169 175.783 174.600 0.023 0.000 1.318 263 S CA 2.539 60.798 58.200 0.099 0.000 1.056 263 S CB 0.146 63.427 63.200 0.134 0.000 0.853 263 S HN -0.372 8.033 8.310 0.159 0.000 0.505 264 G N 3.560 112.361 108.800 0.003 0.000 2.179 264 G HA2 -0.442 nan 3.960 nan 0.000 0.260 264 G HA3 -0.442 nan 3.960 nan 0.000 0.260 264 G C -1.058 173.803 174.900 -0.065 0.000 0.977 264 G CA 0.530 45.618 45.100 -0.020 0.000 0.641 264 G HN 0.791 9.478 8.290 0.017 -0.387 0.533 265 K N 1.589 121.923 120.400 -0.109 0.000 2.235 265 K HA 0.469 nan 4.320 nan 0.000 0.266 265 K C -1.115 175.337 176.600 -0.247 0.000 0.980 265 K CA -1.780 54.418 56.287 -0.149 0.000 0.849 265 K CB 1.114 33.531 32.500 -0.139 0.000 1.098 265 K HN -0.627 7.503 8.250 -0.110 0.053 0.445 266 D N 4.006 124.278 120.400 -0.214 0.000 2.360 266 D HA 0.158 nan 4.640 nan 0.000 0.242 266 D C -0.126 176.003 176.300 -0.284 0.000 1.184 266 D CA -1.690 52.157 54.000 -0.255 0.000 0.930 266 D CB 0.407 41.118 40.800 -0.147 0.000 1.161 266 D HN 0.027 8.303 8.370 -0.155 0.000 0.447 267 P HA -0.183 nan 4.420 nan 0.000 0.224 267 P C 1.233 178.370 177.300 -0.273 0.000 1.142 267 P CA 1.943 64.887 63.100 -0.260 0.000 0.778 267 P CB -0.207 31.406 31.700 -0.145 0.000 0.764 268 S N -1.233 114.323 115.700 -0.239 0.000 2.440 268 S HA -0.310 nan 4.470 nan 0.000 0.238 268 S C 0.497 174.937 174.600 -0.266 0.000 1.010 268 S CA 2.608 60.644 58.200 -0.273 0.000 0.972 268 S CB -0.243 62.883 63.200 -0.124 0.000 0.774 268 S HN -0.045 8.471 8.310 -0.183 -0.316 0.501 269 K N 3.000 123.258 120.400 -0.238 0.000 2.262 269 K HA 0.155 nan 4.320 nan 0.000 0.288 269 K C 0.917 177.364 176.600 -0.254 0.000 1.090 269 K CA -1.013 55.147 56.287 -0.211 0.000 0.918 269 K CB -1.175 31.216 32.500 -0.182 0.000 1.139 269 K HN -0.437 7.602 8.250 -0.243 0.066 0.462 270 V N 0.424 120.174 119.914 -0.273 0.000 2.370 270 V HA -0.474 nan 4.120 nan 0.000 0.252 270 V C 1.088 177.070 176.094 -0.187 0.000 1.068 270 V CA 3.673 65.786 62.300 -0.312 0.000 1.061 270 V CB -0.834 30.683 31.823 -0.510 0.000 0.656 270 V HN -0.146 7.881 8.190 -0.270 0.000 0.455 271 D N 0.069 120.400 120.400 -0.114 0.000 2.149 271 D HA -0.375 nan 4.640 nan 0.000 0.194 271 D C 1.837 178.129 176.300 -0.014 0.000 1.001 271 D CA 3.619 57.606 54.000 -0.022 0.000 0.849 271 D CB -0.605 40.195 40.800 0.000 0.000 0.939 271 D HN 0.077 8.374 8.370 -0.117 0.002 0.449 272 R N -0.944 119.429 120.500 -0.212 0.000 2.048 272 R HA -0.069 nan 4.340 nan 0.000 0.224 272 R C 1.947 177.735 176.300 -0.853 0.000 1.163 272 R CA 2.553 58.277 56.100 -0.626 0.000 0.956 272 R CB 0.939 30.826 30.300 -0.688 0.000 0.849 272 R HN -0.361 7.667 8.270 -0.224 0.108 0.435 273 S N 0.750 116.110 115.700 -0.567 0.000 2.359 273 S HA -0.381 nan 4.470 nan 0.000 0.224 273 S C 2.109 176.580 174.600 -0.215 0.000 1.035 273 S CA 3.224 61.191 58.200 -0.390 0.000 1.018 273 S CB -0.188 62.846 63.200 -0.278 0.000 0.876 273 S HN -0.381 7.653 8.310 -0.461 0.000 0.448 274 A N 0.543 123.271 122.820 -0.154 0.000 1.930 274 A HA -0.239 nan 4.320 nan 0.000 0.217 274 A C 1.502 179.111 177.584 0.041 0.000 1.175 274 A CA 2.894 54.941 52.037 0.017 0.000 0.627 274 A CB -0.997 18.098 19.000 0.158 0.000 0.815 274 A HN 0.003 7.922 8.150 -0.207 0.107 0.443 275 A N -0.758 122.060 122.820 -0.003 0.000 1.883 275 A HA -0.285 nan 4.320 nan 0.000 0.217 275 A C 1.944 179.621 177.584 0.156 0.000 1.186 275 A CA 3.046 55.151 52.037 0.114 0.000 0.624 275 A CB -0.862 18.264 19.000 0.210 0.000 0.822 275 A HN -0.423 7.678 8.150 -0.082 0.000 0.444 276 Y N -1.789 118.380 120.300 -0.218 0.000 2.151 276 Y HA -0.417 nan 4.550 nan 0.000 0.284 276 Y C 2.426 178.285 175.900 -0.069 0.000 1.166 276 Y CA 0.873 58.773 58.100 -0.332 0.000 1.163 276 Y CB -1.375 36.668 38.460 -0.695 0.000 0.974 276 Y HN -0.026 8.064 8.280 -0.317 0.000 0.511 277 A N -1.464 121.441 122.820 0.142 0.000 1.929 277 A HA -0.321 nan 4.320 nan 0.000 0.216 277 A C 1.803 179.462 177.584 0.125 0.000 1.176 277 A CA 2.651 54.784 52.037 0.159 0.000 0.628 277 A CB -1.088 17.993 19.000 0.134 0.000 0.816 277 A HN 0.369 8.468 8.150 0.092 0.106 0.444 278 A N -1.054 121.814 122.820 0.079 0.000 1.930 278 A HA -0.297 nan 4.320 nan 0.000 0.217 278 A C 1.645 179.236 177.584 0.012 0.000 1.175 278 A CA 2.970 55.026 52.037 0.032 0.000 0.627 278 A CB -0.750 18.292 19.000 0.069 0.000 0.815 278 A HN 0.439 8.561 8.150 0.092 0.083 0.443 279 R N -0.481 120.015 120.500 -0.007 0.000 2.080 279 R HA -0.358 nan 4.340 nan 0.000 0.236 279 R C 1.552 177.879 176.300 0.045 0.000 1.137 279 R CA 2.337 58.378 56.100 -0.098 0.000 0.943 279 R CB -0.768 29.226 30.300 -0.510 0.000 0.846 279 R HN -0.074 8.200 8.270 0.005 0.000 0.431 280 Y N -0.997 119.292 120.300 -0.017 0.000 2.151 280 Y HA -0.435 nan 4.550 nan 0.000 0.284 280 Y C 2.009 177.795 175.900 -0.191 0.000 1.166 280 Y CA 3.775 61.870 58.100 -0.009 0.000 1.163 280 Y CB -0.033 38.479 38.460 0.088 0.000 0.974 280 Y HN -0.289 8.153 8.280 0.270 0.000 0.511 281 V N -0.998 118.714 119.914 -0.337 0.000 2.244 281 V HA -0.510 nan 4.120 nan 0.000 0.244 281 V C 1.321 177.187 176.094 -0.380 0.000 1.042 281 V CA 3.498 65.337 62.300 -0.768 0.000 1.006 281 V CB -0.876 30.383 31.823 -0.940 0.000 0.641 281 V HN 0.150 8.172 8.190 -0.140 0.084 0.446 282 A N -0.162 122.536 122.820 -0.205 0.000 1.917 282 A HA -0.449 nan 4.320 nan 0.000 0.219 282 A C 1.680 179.189 177.584 -0.125 0.000 1.182 282 A CA 3.472 55.426 52.037 -0.138 0.000 0.633 282 A CB -0.913 18.029 19.000 -0.097 0.000 0.819 282 A HN -0.030 8.021 8.150 -0.165 0.000 0.448 283 K N -1.942 118.401 120.400 -0.096 0.000 2.057 283 K HA -0.383 nan 4.320 nan 0.000 0.207 283 K C 2.294 178.842 176.600 -0.087 0.000 1.049 283 K CA 3.477 59.730 56.287 -0.056 0.000 0.931 283 K CB -0.165 32.346 32.500 0.017 0.000 0.714 283 K HN 0.146 8.346 8.250 -0.084 0.000 0.440 284 N N -0.429 118.175 118.700 -0.160 0.000 2.244 284 N HA -0.246 nan 4.740 nan 0.000 0.183 284 N C 2.379 177.837 175.510 -0.087 0.000 1.016 284 N CA 3.516 56.485 53.050 -0.136 0.000 0.866 284 N CB 0.137 38.519 38.487 -0.174 0.000 0.980 284 N HN -0.472 7.766 8.380 -0.236 0.000 0.430 285 I N 1.003 121.518 120.570 -0.091 0.000 2.226 285 I HA -0.454 nan 4.170 nan 0.000 0.245 285 I C 1.304 177.383 176.117 -0.063 0.000 1.100 285 I CA 4.787 66.049 61.300 -0.064 0.000 1.374 285 I CB -0.011 37.950 38.000 -0.065 0.000 1.057 285 I HN 0.174 8.224 8.210 -0.132 0.082 0.413 286 V N -1.582 118.289 119.914 -0.070 0.000 2.591 286 V HA -0.301 nan 4.120 nan 0.000 0.249 286 V C 2.391 178.460 176.094 -0.042 0.000 1.053 286 V CA 3.672 65.936 62.300 -0.059 0.000 1.068 286 V CB -1.224 30.555 31.823 -0.074 0.000 0.689 286 V HN -0.261 7.880 8.190 -0.083 0.000 0.462 287 A N 0.115 122.911 122.820 -0.042 0.000 1.969 287 A HA -0.207 nan 4.320 nan 0.000 0.218 287 A C 1.379 178.941 177.584 -0.036 0.000 1.169 287 A CA 3.061 55.080 52.037 -0.030 0.000 0.635 287 A CB -0.596 18.387 19.000 -0.027 0.000 0.810 287 A HN 0.122 8.242 8.150 -0.051 0.000 0.445 288 A N -5.152 117.638 122.820 -0.050 0.000 2.239 288 A HA -0.104 nan 4.320 nan 0.000 0.209 288 A C 0.228 177.786 177.584 -0.044 0.000 1.171 288 A CA 0.169 52.172 52.037 -0.057 0.000 0.768 288 A CB -0.192 18.759 19.000 -0.081 0.000 0.790 288 A HN -0.123 7.993 8.150 -0.057 0.000 0.478 289 G N -2.874 105.906 108.800 -0.035 0.000 2.249 289 G HA2 -0.354 nan 3.960 nan 0.000 0.273 289 G HA3 -0.354 nan 3.960 nan 0.000 0.273 289 G C 0.327 175.212 174.900 -0.026 0.000 1.036 289 G CA 0.903 45.988 45.100 -0.026 0.000 0.824 289 G HN -0.255 7.813 8.290 -0.034 0.201 0.504 290 L N -1.399 119.805 121.223 -0.032 0.000 2.446 290 L HA 0.011 nan 4.340 nan 0.000 0.219 290 L C -1.395 175.461 176.870 -0.023 0.000 1.116 290 L CA 0.649 55.473 54.840 -0.027 0.000 0.844 290 L CB -0.121 41.920 42.059 -0.031 0.000 0.970 290 L HN -0.442 7.739 8.230 -0.039 0.026 0.457 291 A N -5.265 117.540 122.820 -0.026 0.000 2.536 291 A HA 0.105 nan 4.320 nan 0.000 0.293 291 A C -2.342 175.227 177.584 -0.024 0.000 1.119 291 A CA -0.319 51.706 52.037 -0.020 0.000 0.654 291 A CB 1.822 20.809 19.000 -0.023 0.000 1.291 291 A HN -0.921 7.181 8.150 -0.031 0.030 0.439 292 D N -2.664 117.726 120.400 -0.016 0.000 2.379 292 D HA 0.123 nan 4.640 nan 0.000 0.218 292 D C -0.325 175.934 176.300 -0.068 0.000 1.006 292 D CA 2.003 55.987 54.000 -0.026 0.000 0.893 292 D CB 1.993 42.790 40.800 -0.005 0.000 1.019 292 D HN -0.045 8.325 8.370 0.000 0.000 0.503 293 R N -3.378 117.081 120.500 -0.068 0.000 2.621 293 R HA 0.589 nan 4.340 nan 0.000 0.284 293 R C -2.178 174.073 176.300 -0.082 0.000 0.998 293 R CA -1.190 54.799 56.100 -0.184 0.000 0.895 293 R CB 3.737 33.927 30.300 -0.183 0.000 1.195 293 R HN -0.742 7.524 8.270 -0.007 0.000 0.450 294 C N 3.551 122.686 119.300 -0.275 0.000 2.642 294 C HA 0.481 nan 4.460 nan 0.000 0.344 294 C C -2.288 172.613 174.990 -0.147 0.000 1.110 294 C CA -1.094 57.847 59.018 -0.128 0.000 1.298 294 C CB 2.644 30.305 27.740 -0.131 0.000 1.827 294 C HN 0.714 8.561 8.230 -0.637 0.000 0.467 295 E N 7.390 127.636 120.200 0.077 0.000 2.222 295 E HA 0.905 nan 4.350 nan 0.000 0.267 295 E C -2.420 174.247 176.600 0.111 0.000 0.884 295 E CA -1.878 54.668 56.400 0.243 0.000 0.764 295 E CB 3.957 33.932 29.700 0.459 0.000 1.169 295 E HN 0.787 9.143 8.360 -0.007 0.000 0.413 296 I N 0.542 121.193 120.570 0.135 0.000 2.608 296 I HA 0.850 nan 4.170 nan 0.000 0.295 296 I C -2.773 173.376 176.117 0.053 0.000 1.049 296 I CA -2.409 58.922 61.300 0.052 0.000 1.063 296 I CB 3.773 41.762 38.000 -0.018 0.000 1.248 296 I HN 0.559 8.884 8.210 0.192 0.000 0.424 297 Q N 4.356 124.085 119.800 -0.119 0.000 2.312 297 Q HA 0.702 nan 4.340 nan 0.000 0.263 297 Q C -2.019 173.798 176.000 -0.305 0.000 0.995 297 Q CA -1.579 53.955 55.803 -0.448 0.000 0.853 297 Q CB 3.826 32.144 28.738 -0.701 0.000 1.300 297 Q HN 0.070 8.283 8.270 -0.095 0.000 0.448 298 V N 5.295 125.023 119.914 -0.310 0.000 2.735 298 V HA 0.724 nan 4.120 nan 0.000 0.310 298 V C -1.733 174.146 176.094 -0.358 0.000 1.061 298 V CA -2.060 60.062 62.300 -0.296 0.000 0.913 298 V CB 3.229 34.931 31.823 -0.203 0.000 1.005 298 V HN 0.837 8.817 8.190 -0.350 0.000 0.428 299 S N 2.749 118.170 115.700 -0.466 0.000 2.632 299 S HA 0.875 nan 4.470 nan 0.000 0.289 299 S C -1.543 172.710 174.600 -0.578 0.000 1.115 299 S CA -2.133 55.850 58.200 -0.362 0.000 0.889 299 S CB 3.324 66.399 63.200 -0.208 0.000 1.116 299 S HN 0.250 8.257 8.310 -0.506 0.000 0.486 300 Y N -1.674 118.601 120.300 -0.043 0.000 2.615 300 Y HA 0.231 nan 4.550 nan 0.000 0.341 300 Y C -1.989 173.899 175.900 -0.020 0.000 1.089 300 Y CA -0.654 57.429 58.100 -0.027 0.000 1.049 300 Y CB 4.808 43.253 38.460 -0.025 0.000 1.296 300 Y HN 0.113 8.445 8.280 0.087 0.000 0.470 301 A N -1.181 121.741 122.820 0.170 0.000 2.435 301 A HA 0.348 nan 4.320 nan 0.000 0.304 301 A C -1.951 175.682 177.584 0.082 0.000 1.064 301 A CA -2.082 50.009 52.037 0.091 0.000 0.727 301 A CB 3.067 22.097 19.000 0.050 0.000 1.284 301 A HN 0.459 8.737 8.150 0.213 0.000 0.415 302 I N 1.092 121.692 120.570 0.050 0.000 2.587 302 I HA -0.316 nan 4.170 nan 0.000 0.284 302 I C 0.954 177.091 176.117 0.032 0.000 1.134 302 I CA 0.879 62.199 61.300 0.033 0.000 1.410 302 I CB -0.017 37.994 38.000 0.019 0.000 1.392 302 I HN 0.105 8.340 8.210 0.042 0.000 0.545 303 G N 6.746 115.566 108.800 0.033 0.000 2.179 303 G HA2 -0.408 nan 3.960 nan 0.000 0.260 303 G HA3 -0.408 nan 3.960 nan 0.000 0.260 303 G C -1.609 173.315 174.900 0.040 0.000 0.977 303 G CA 0.263 45.381 45.100 0.031 0.000 0.641 303 G HN 0.347 8.657 8.290 0.032 0.000 0.533 304 V N -0.520 119.430 119.914 0.060 0.000 2.667 304 V HA 0.328 nan 4.120 nan 0.000 0.308 304 V C -0.840 175.316 176.094 0.103 0.000 1.048 304 V CA -1.692 60.649 62.300 0.068 0.000 0.928 304 V CB 2.387 34.248 31.823 0.064 0.000 1.004 304 V HN -0.399 7.783 8.190 0.069 0.050 0.444 305 A N 4.586 127.465 122.820 0.098 0.000 1.973 305 A HA 0.173 nan 4.320 nan 0.000 0.210 305 A C -0.718 176.961 177.584 0.159 0.000 1.200 305 A CA 1.671 53.783 52.037 0.125 0.000 0.707 305 A CB 0.467 19.524 19.000 0.095 0.000 0.862 305 A HN 0.223 8.417 8.150 0.074 0.000 0.461 306 E N -0.773 119.492 120.200 0.109 0.000 2.344 306 E HA 0.133 nan 4.350 nan 0.000 0.270 306 E C -2.112 174.526 176.600 0.063 0.000 1.021 306 E CA -2.899 53.551 56.400 0.082 0.000 0.887 306 E CB 0.625 30.348 29.700 0.038 0.000 0.997 306 E HN -0.258 8.151 8.360 0.082 0.000 0.429 307 P HA -0.070 nan 4.420 nan 0.000 0.261 307 P C -0.329 176.863 177.300 -0.181 0.000 1.173 307 P CA 0.462 63.378 63.100 -0.307 0.000 0.760 307 P CB 0.713 32.186 31.700 -0.379 0.000 0.783 308 T N 0.056 114.503 114.554 -0.177 0.000 2.915 308 T HA -0.132 nan 4.350 nan 0.000 0.269 308 T C -0.008 174.616 174.700 -0.126 0.000 1.071 308 T CA 1.227 63.261 62.100 -0.110 0.000 1.132 308 T CB 0.019 68.843 68.868 -0.074 0.000 0.878 308 T HN -0.130 7.984 8.240 -0.210 0.000 0.479 309 S N -0.138 115.453 115.700 -0.182 0.000 2.550 309 S HA 0.161 nan 4.470 nan 0.000 0.270 309 S C -2.100 172.390 174.600 -0.183 0.000 1.145 309 S CA -1.122 56.988 58.200 -0.151 0.000 0.852 309 S CB 2.279 65.400 63.200 -0.131 0.000 1.119 309 S HN -0.697 7.456 8.310 -0.261 0.000 0.465 310 I N 0.691 121.182 120.570 -0.131 0.000 2.608 310 I HA 0.634 nan 4.170 nan 0.000 0.295 310 I C -1.353 174.706 176.117 -0.098 0.000 1.049 310 I CA -1.314 59.915 61.300 -0.118 0.000 1.063 310 I CB 3.071 41.029 38.000 -0.071 0.000 1.248 310 I HN 0.118 8.266 8.210 -0.102 0.000 0.424 311 M N 8.160 127.700 119.600 -0.099 0.000 2.267 311 M HA 0.455 nan 4.480 nan 0.000 0.289 311 M C -2.569 173.690 176.300 -0.067 0.000 1.043 311 M CA -1.116 54.138 55.300 -0.078 0.000 0.928 311 M CB 3.495 36.047 32.600 -0.081 0.000 1.613 311 M HN 0.517 8.737 8.290 -0.116 0.000 0.450 312 V N 1.815 121.689 119.914 -0.067 0.000 2.417 312 V HA 0.685 nan 4.120 nan 0.000 0.291 312 V C -1.804 174.214 176.094 -0.128 0.000 1.024 312 V CA -2.341 59.913 62.300 -0.077 0.000 0.861 312 V CB 1.111 32.899 31.823 -0.058 0.000 0.985 312 V HN 0.158 8.309 8.190 -0.064 0.000 0.436 313 E N 7.388 127.468 120.200 -0.201 0.000 2.145 313 E HA 0.414 nan 4.350 nan 0.000 0.262 313 E C -1.329 175.007 176.600 -0.441 0.000 0.883 313 E CA -1.561 54.593 56.400 -0.410 0.000 0.748 313 E CB 3.114 32.408 29.700 -0.676 0.000 1.140 313 E HN 0.747 9.013 8.360 -0.157 0.000 0.417 314 T N 2.469 116.857 114.554 -0.277 0.000 2.749 314 T HA 0.560 nan 4.350 nan 0.000 0.287 314 T C -0.066 174.577 174.700 -0.094 0.000 0.970 314 T CA -1.824 60.213 62.100 -0.106 0.000 0.980 314 T CB 0.404 69.239 68.868 -0.055 0.000 0.924 314 T HN 0.330 8.434 8.240 -0.226 0.000 0.456 315 F N 4.318 124.243 119.950 -0.042 0.000 2.567 315 F HA -0.019 nan 4.527 nan 0.000 0.352 315 F C 1.291 177.076 175.800 -0.026 0.000 1.229 315 F CA -2.541 55.443 58.000 -0.027 0.000 1.228 315 F CB -1.928 37.056 39.000 -0.026 0.000 1.568 315 F HN 0.049 8.678 8.300 0.547 0.000 0.634 316 G N 3.654 112.504 108.800 0.083 0.000 2.305 316 G HA2 -0.385 nan 3.960 nan 0.000 0.287 316 G HA3 -0.385 nan 3.960 nan 0.000 0.287 316 G C -0.860 174.071 174.900 0.053 0.000 1.036 316 G CA 0.795 45.928 45.100 0.054 0.000 0.887 316 G HN -0.104 8.224 8.290 0.025 -0.023 0.505 317 T N -8.739 105.846 114.554 0.052 0.000 3.144 317 T HA 0.072 nan 4.350 nan 0.000 0.290 317 T C -0.887 173.825 174.700 0.019 0.000 0.966 317 T CA -1.237 60.888 62.100 0.041 0.000 0.907 317 T CB 0.336 69.240 68.868 0.060 0.000 1.152 317 T HN -0.094 8.173 8.240 0.045 0.000 0.532 318 E N 1.362 121.568 120.200 0.010 0.000 2.392 318 E HA 0.112 nan 4.350 nan 0.000 0.259 318 E C -0.430 176.169 176.600 -0.001 0.000 1.108 318 E CA -0.722 55.677 56.400 -0.002 0.000 0.916 318 E CB 0.270 29.965 29.700 -0.010 0.000 0.989 318 E HN -0.514 7.854 8.360 0.012 0.000 0.432 319 K N -1.029 119.368 120.400 -0.005 0.000 2.506 319 K HA 0.268 nan 4.320 nan 0.000 0.204 319 K C -1.691 174.907 176.600 -0.005 0.000 1.045 319 K CA -1.113 55.171 56.287 -0.004 0.000 1.074 319 K CB -0.037 32.459 32.500 -0.006 0.000 0.842 319 K HN 0.546 8.791 8.250 -0.008 0.000 0.514 320 V N -1.022 118.890 119.914 -0.004 0.000 3.077 320 V HA 0.457 nan 4.120 nan 0.000 0.299 320 V C -2.655 173.437 176.094 -0.003 0.000 1.276 320 V CA -2.318 59.980 62.300 -0.002 0.000 0.993 320 V CB 2.740 34.563 31.823 -0.001 0.000 1.076 320 V HN -0.542 7.571 8.190 -0.005 0.074 0.434 321 P HA 0.348 nan 4.420 nan 0.000 0.272 321 P C -0.102 177.195 177.300 -0.005 0.000 1.230 321 P CA -0.951 62.146 63.100 -0.004 0.000 0.788 321 P CB 1.358 33.056 31.700 -0.002 0.000 0.949 322 S N 1.327 117.020 115.700 -0.011 0.000 2.387 322 S HA -0.337 nan 4.470 nan 0.000 0.226 322 S C 1.577 176.171 174.600 -0.010 0.000 1.026 322 S CA 3.190 61.380 58.200 -0.017 0.000 0.972 322 S CB -0.369 62.812 63.200 -0.031 0.000 0.814 322 S HN 0.256 8.559 8.310 -0.013 0.000 0.477 323 E N -0.013 120.183 120.200 -0.007 0.000 2.077 323 E HA -0.338 nan 4.350 nan 0.000 0.193 323 E C 2.286 178.892 176.600 0.010 0.000 0.989 323 E CA 3.073 59.472 56.400 -0.001 0.000 0.800 323 E CB -1.728 27.970 29.700 -0.003 0.000 0.746 323 E HN 0.535 8.890 8.360 -0.008 0.000 0.452 324 Q N 0.400 120.207 119.800 0.012 0.000 2.124 324 Q HA -0.272 nan 4.340 nan 0.000 0.202 324 Q C 2.544 178.564 176.000 0.033 0.000 0.977 324 Q CA 2.723 58.540 55.803 0.022 0.000 0.850 324 Q CB -0.550 28.199 28.738 0.017 0.000 0.901 324 Q HN -0.103 8.171 8.270 0.006 0.000 0.429 325 L N -1.322 119.914 121.223 0.022 0.000 2.017 325 L HA -0.389 nan 4.340 nan 0.000 0.208 325 L C 1.712 178.611 176.870 0.047 0.000 1.073 325 L CA 3.321 58.178 54.840 0.030 0.000 0.745 325 L CB 0.027 42.089 42.059 0.006 0.000 0.894 325 L HN -0.227 7.924 8.230 0.010 0.086 0.432 326 T N 0.539 115.110 114.554 0.030 0.000 2.915 326 T HA -0.275 nan 4.350 nan 0.000 0.269 326 T C 2.458 177.192 174.700 0.057 0.000 1.071 326 T CA 3.821 65.943 62.100 0.036 0.000 1.132 326 T CB -0.194 68.678 68.868 0.007 0.000 0.878 326 T HN -0.031 8.146 8.240 0.015 0.072 0.479 327 L N 2.780 124.035 121.223 0.053 0.000 1.956 327 L HA -0.323 nan 4.340 nan 0.000 0.216 327 L C 1.517 178.447 176.870 0.101 0.000 1.073 327 L CA 3.416 58.291 54.840 0.058 0.000 0.762 327 L CB -0.870 41.220 42.059 0.052 0.000 0.889 327 L HN 0.284 8.527 8.230 0.041 0.012 0.433 328 L N -5.616 115.700 121.223 0.155 0.000 2.291 328 L HA -0.221 nan 4.340 nan 0.000 0.214 328 L C 2.169 179.262 176.870 0.372 0.000 1.120 328 L CA 2.848 57.866 54.840 0.297 0.000 0.799 328 L CB -1.173 41.104 42.059 0.363 0.000 0.925 328 L HN -0.667 7.639 8.230 0.126 0.000 0.446 329 V N 1.171 121.258 119.914 0.288 0.000 2.252 329 V HA -0.578 nan 4.120 nan 0.000 0.249 329 V C 2.571 178.875 176.094 0.350 0.000 1.056 329 V CA 4.234 66.752 62.300 0.362 0.000 1.022 329 V CB -1.058 30.870 31.823 0.176 0.000 0.641 329 V HN 0.199 8.509 8.190 0.200 0.000 0.445 330 R N -2.819 117.787 120.500 0.177 0.000 2.062 330 R HA -0.280 nan 4.340 nan 0.000 0.231 330 R C 2.928 179.240 176.300 0.020 0.000 1.136 330 R CA 2.774 58.937 56.100 0.106 0.000 0.948 330 R CB -0.485 29.844 30.300 0.049 0.000 0.845 330 R HN -0.358 7.996 8.270 0.139 0.000 0.430 331 E N -0.849 119.307 120.200 -0.074 0.000 2.153 331 E HA -0.258 nan 4.350 nan 0.000 0.194 331 E C 1.904 178.114 176.600 -0.650 0.000 0.988 331 E CA 2.650 58.841 56.400 -0.348 0.000 0.811 331 E CB -0.009 29.404 29.700 -0.477 0.000 0.746 331 E HN -0.672 7.687 8.360 -0.001 0.000 0.466 332 F N -4.538 115.260 119.950 -0.253 0.000 2.754 332 F HA -0.090 nan 4.527 nan 0.000 0.297 332 F C -0.408 174.844 175.800 -0.914 0.000 1.122 332 F CA 1.758 59.371 58.000 -0.644 0.000 1.400 332 F CB 1.047 39.490 39.000 -0.928 0.000 1.117 332 F HN -0.478 7.773 8.300 -0.043 0.023 0.587 333 F N -1.727 118.303 119.950 0.132 0.000 2.539 333 F HA 0.085 nan 4.527 nan 0.000 0.318 333 F C -1.595 174.269 175.800 0.105 0.000 1.135 333 F CA -1.511 56.582 58.000 0.155 0.000 0.915 333 F CB 2.861 41.967 39.000 0.177 0.000 1.176 333 F HN -0.852 7.394 8.300 -0.015 0.045 0.440 334 D N 4.219 124.770 120.400 0.251 0.000 2.411 334 D HA 0.102 nan 4.640 nan 0.000 0.225 334 D C -0.356 176.067 176.300 0.205 0.000 1.156 334 D CA -0.800 53.305 54.000 0.176 0.000 0.874 334 D CB 0.176 41.054 40.800 0.130 0.000 1.034 334 D HN 0.249 8.787 8.370 0.280 0.000 0.502 335 L N 2.542 123.881 121.223 0.194 0.000 2.629 335 L HA 0.053 nan 4.340 nan 0.000 0.230 335 L C -0.209 176.802 176.870 0.234 0.000 1.151 335 L CA -1.020 53.944 54.840 0.206 0.000 0.924 335 L CB 0.174 42.338 42.059 0.175 0.000 1.137 335 L HN -0.038 8.294 8.230 0.169 0.000 0.457 336 R N -0.105 120.505 120.500 0.183 0.000 2.539 336 R HA 0.071 nan 4.340 nan 0.000 0.275 336 R C -1.634 174.726 176.300 0.100 0.000 1.077 336 R CA -0.848 55.361 56.100 0.181 0.000 1.097 336 R CB -1.029 29.359 30.300 0.147 0.000 1.018 336 R HN -0.514 8.060 8.270 0.156 -0.210 0.483 337 P HA -0.279 nan 4.420 nan 0.000 0.216 337 P C 0.863 177.993 177.300 -0.283 0.000 1.157 337 P CA 3.028 65.992 63.100 -0.226 0.000 0.880 337 P CB 0.068 31.625 31.700 -0.239 0.000 0.791 338 Y N -5.513 114.775 120.300 -0.019 0.000 2.519 338 Y HA -0.134 nan 4.550 nan 0.000 0.287 338 Y C 2.157 178.071 175.900 0.022 0.000 1.128 338 Y CA 2.171 60.268 58.100 -0.005 0.000 1.282 338 Y CB -0.750 37.706 38.460 -0.008 0.000 1.027 338 Y HN -0.097 8.368 8.280 0.309 0.000 0.551 339 G N 0.587 109.465 108.800 0.131 0.000 2.414 339 G HA2 -0.365 nan 3.960 nan 0.000 0.215 339 G HA3 -0.365 nan 3.960 nan 0.000 0.215 339 G C 0.994 175.951 174.900 0.094 0.000 1.188 339 G CA 1.878 47.047 45.100 0.115 0.000 0.783 339 G HN -0.152 8.069 8.290 0.133 0.149 0.537 340 L N 2.140 123.402 121.223 0.066 0.000 2.010 340 L HA -0.414 nan 4.340 nan 0.000 0.219 340 L C 2.323 179.215 176.870 0.037 0.000 1.077 340 L CA 2.548 57.420 54.840 0.054 0.000 0.773 340 L CB -0.791 41.259 42.059 -0.015 0.000 0.892 340 L HN 0.075 8.341 8.230 0.060 0.000 0.436 341 I N -3.773 116.789 120.570 -0.014 0.000 2.286 341 I HA -0.600 nan 4.170 nan 0.000 0.248 341 I C 2.121 178.272 176.117 0.058 0.000 1.115 341 I CA 3.666 64.964 61.300 -0.003 0.000 1.392 341 I CB -0.431 37.519 38.000 -0.083 0.000 1.065 341 I HN -0.780 7.381 8.210 -0.061 0.012 0.418 342 Q N -0.728 119.116 119.800 0.074 0.000 2.020 342 Q HA -0.220 nan 4.340 nan 0.000 0.198 342 Q C 2.784 178.837 176.000 0.090 0.000 0.974 342 Q CA 2.646 58.502 55.803 0.088 0.000 0.829 342 Q CB -0.351 28.443 28.738 0.094 0.000 0.894 342 Q HN -0.485 7.699 8.270 0.072 0.129 0.433 343 M N 0.468 120.127 119.600 0.099 0.000 2.267 343 M HA -0.281 nan 4.480 nan 0.000 0.263 343 M C 0.727 177.054 176.300 0.044 0.000 1.063 343 M CA 3.423 58.791 55.300 0.113 0.000 1.090 343 M CB 0.320 33.031 32.600 0.185 0.000 1.392 343 M HN 0.034 8.385 8.290 0.102 0.000 0.422 344 L N -7.433 113.808 121.223 0.030 0.000 2.906 344 L HA 0.154 nan 4.340 nan 0.000 0.255 344 L C -0.734 176.189 176.870 0.088 0.000 1.166 344 L CA -1.143 53.698 54.840 0.001 0.000 0.977 344 L CB 0.197 42.270 42.059 0.024 0.000 1.313 344 L HN -0.489 7.745 8.230 0.060 0.032 0.549 345 D N 0.437 120.905 120.400 0.113 0.000 2.890 345 D HA -0.292 nan 4.640 nan 0.000 0.226 345 D C 0.223 176.683 176.300 0.266 0.000 1.207 345 D CA 1.347 55.452 54.000 0.175 0.000 0.764 345 D CB -0.975 39.930 40.800 0.176 0.000 0.948 345 D HN -0.431 7.884 8.370 0.095 0.112 0.404 346 L N -2.382 118.966 121.223 0.208 0.000 2.509 346 L HA 0.011 nan 4.340 nan 0.000 0.222 346 L C 0.262 177.259 176.870 0.212 0.000 1.123 346 L CA 0.595 55.600 54.840 0.275 0.000 0.856 346 L CB 0.327 42.545 42.059 0.264 0.000 0.985 346 L HN -0.564 7.754 8.230 0.147 0.000 0.456 347 L N -0.883 120.331 121.223 -0.014 0.000 2.376 347 L HA -0.058 nan 4.340 nan 0.000 0.250 347 L C -0.846 175.712 176.870 -0.520 0.000 1.335 347 L CA 0.067 54.804 54.840 -0.171 0.000 1.214 347 L CB -2.054 39.898 42.059 -0.177 0.000 1.395 347 L HN -0.258 7.913 8.230 -0.016 0.049 0.424 348 H N 0.832 119.989 119.070 0.146 0.000 3.079 348 H HA 0.216 nan 4.556 nan 0.000 0.356 348 H C -2.181 173.198 175.328 0.085 0.000 1.221 348 H CA -2.086 54.011 56.048 0.082 0.000 1.185 348 H CB 3.022 32.800 29.762 0.027 0.000 1.882 348 H HN -0.002 8.360 8.280 0.187 0.031 0.543 349 P HA 0.100 nan 4.420 nan 0.000 0.249 349 P C -1.276 176.041 177.300 0.027 0.000 1.737 349 P CA 0.752 63.931 63.100 0.132 0.000 1.128 349 P CB -0.898 30.874 31.700 0.120 0.000 1.942 350 I N -6.571 113.884 120.570 -0.192 0.000 4.081 350 I HA 0.302 nan 4.170 nan 0.000 0.333 350 I C -0.365 175.567 176.117 -0.309 0.000 1.413 350 I CA -0.801 60.346 61.300 -0.256 0.000 1.110 350 I CB 0.276 38.096 38.000 -0.301 0.000 1.082 350 I HN -0.458 7.513 8.210 -0.358 0.024 0.402 351 Y N 0.300 120.663 120.300 0.105 0.000 2.436 351 Y HA -0.124 nan 4.550 nan 0.000 0.288 351 Y C 1.792 177.722 175.900 0.050 0.000 1.112 351 Y CA 2.056 60.196 58.100 0.067 0.000 1.220 351 Y CB 0.094 38.592 38.460 0.064 0.000 1.073 351 Y HN -0.255 8.540 8.280 0.055 -0.482 0.552 352 K N 0.331 120.830 120.400 0.166 0.000 2.160 352 K HA -0.415 nan 4.320 nan 0.000 0.206 352 K C 2.306 178.966 176.600 0.099 0.000 1.047 352 K CA 3.827 60.187 56.287 0.121 0.000 0.930 352 K CB -0.381 32.182 32.500 0.106 0.000 0.720 352 K HN -0.105 8.608 8.250 0.165 -0.364 0.450 353 E N -1.524 118.754 120.200 0.131 0.000 2.153 353 E HA -0.244 nan 4.350 nan 0.000 0.194 353 E C 1.854 178.556 176.600 0.171 0.000 0.988 353 E CA 2.895 59.409 56.400 0.191 0.000 0.811 353 E CB -0.362 29.529 29.700 0.318 0.000 0.746 353 E HN 0.091 8.510 8.360 0.135 0.022 0.466 354 T N 0.222 114.784 114.554 0.014 0.000 2.881 354 T HA -0.173 nan 4.350 nan 0.000 0.270 354 T C 1.522 175.938 174.700 -0.474 0.000 1.068 354 T CA 3.162 65.049 62.100 -0.354 0.000 1.131 354 T CB -0.376 68.235 68.868 -0.429 0.000 0.871 354 T HN -0.146 7.975 8.240 0.032 0.138 0.479 355 A N -0.710 122.019 122.820 -0.151 0.000 2.066 355 A HA -0.130 nan 4.320 nan 0.000 0.218 355 A C 0.153 177.697 177.584 -0.066 0.000 1.157 355 A CA 2.117 54.135 52.037 -0.032 0.000 0.670 355 A CB -0.351 18.675 19.000 0.043 0.000 0.804 355 A HN -0.220 7.726 8.150 -0.044 0.177 0.453 356 A N -0.950 121.773 122.820 -0.162 0.000 3.585 356 A HA 0.119 nan 4.320 nan 0.000 0.191 356 A C 0.612 177.961 177.584 -0.391 0.000 1.981 356 A CA 0.802 52.591 52.037 -0.412 0.000 1.145 356 A CB 0.547 19.134 19.000 -0.688 0.000 1.217 356 A HN -0.738 7.312 8.150 -0.111 0.033 0.404 357 Y N -0.058 120.208 120.300 -0.057 0.000 2.971 357 Y HA -0.139 nan 4.550 nan 0.000 0.384 357 Y C -0.528 175.014 175.900 -0.597 0.000 1.166 357 Y CA -0.289 57.673 58.100 -0.230 0.000 1.973 357 Y CB -2.017 36.378 38.460 -0.110 0.000 2.082 357 Y HN 0.097 8.310 8.280 -0.111 0.000 0.420 358 G N -0.360 108.212 108.800 -0.379 0.000 3.209 358 G HA2 -0.358 nan 3.960 nan 0.000 0.686 358 G HA3 -0.358 nan 3.960 nan 0.000 0.686 358 G C -0.154 174.781 174.900 0.057 0.000 1.065 358 G CA -0.264 44.718 45.100 -0.197 0.000 0.812 358 G HN 0.119 8.235 8.290 -0.177 0.068 0.573 359 H N 4.581 123.585 119.070 -0.111 0.000 2.470 359 H HA 0.124 nan 4.556 nan 0.000 0.289 359 H C 0.499 175.886 175.328 0.099 0.000 1.033 359 H CA 2.754 58.699 56.048 -0.171 0.000 1.331 359 H CB 0.667 30.147 29.762 -0.470 0.000 1.414 359 H HN 0.227 8.601 8.280 0.157 0.000 0.545 360 F N -3.751 116.437 119.950 0.396 0.000 2.541 360 F HA 0.108 nan 4.527 nan 0.000 0.331 360 F C 0.587 176.578 175.800 0.318 0.000 1.057 360 F CA -2.138 56.094 58.000 0.387 0.000 0.975 360 F CB 1.541 40.716 39.000 0.291 0.000 1.246 360 F HN -0.978 7.362 8.300 0.113 0.027 0.484 361 G N 0.107 109.212 108.800 0.508 0.000 2.132 361 G HA2 -0.360 nan 3.960 nan 0.000 0.234 361 G HA3 -0.360 nan 3.960 nan 0.000 0.234 361 G C -1.281 173.749 174.900 0.217 0.000 0.989 361 G CA 0.335 45.630 45.100 0.324 0.000 0.676 361 G HN 0.334 9.427 8.290 0.549 -0.474 0.522 362 R N -0.751 119.872 120.500 0.205 0.000 2.727 362 R HA 0.246 nan 4.340 nan 0.000 0.410 362 R C -0.222 176.022 176.300 -0.093 0.000 1.101 362 R CA -2.263 53.871 56.100 0.057 0.000 1.045 362 R CB 0.068 30.421 30.300 0.089 0.000 1.380 362 R HN -0.119 8.324 8.270 0.289 0.000 0.587 363 E N -2.318 117.861 120.200 -0.035 0.000 5.036 363 E HA -0.495 nan 4.350 nan 0.000 0.181 363 E C 0.216 176.732 176.600 -0.139 0.000 1.411 363 E CA 2.872 59.235 56.400 -0.061 0.000 2.130 363 E CB -1.655 28.034 29.700 -0.017 0.000 1.946 363 E HN 0.594 8.918 8.360 0.042 0.061 0.274 364 H N -2.607 116.248 119.070 -0.358 0.000 2.556 364 H HA 0.071 nan 4.556 nan 0.000 0.273 364 H C -0.067 174.990 175.328 -0.453 0.000 1.030 364 H CA -0.186 55.637 56.048 -0.375 0.000 1.156 364 H CB -0.247 29.292 29.762 -0.372 0.000 1.326 364 H HN -0.225 8.023 8.280 0.033 0.052 0.609 365 F N 0.152 119.592 119.950 -0.851 0.000 2.397 365 F HA 0.372 nan 4.527 nan 0.000 0.331 365 F C -0.942 174.240 175.800 -1.029 0.000 1.090 365 F CA -2.904 54.373 58.000 -1.206 0.000 1.065 365 F CB 0.191 38.151 39.000 -1.734 0.000 1.184 365 F HN -0.480 7.380 8.300 -0.582 0.090 0.499 366 P HA -0.228 nan 4.420 nan 0.000 0.217 366 P C -0.288 176.842 177.300 -0.283 0.000 1.148 366 P CA 2.457 65.346 63.100 -0.352 0.000 0.828 366 P CB -0.032 31.578 31.700 -0.151 0.000 0.783 367 W N -8.110 113.133 121.300 -0.094 0.000 3.139 367 W HA 0.109 nan 4.660 nan 0.000 0.260 367 W C -0.335 176.282 176.519 0.163 0.000 1.312 367 W CA 0.176 57.483 57.345 -0.064 0.000 1.606 367 W CB -1.480 27.928 29.460 -0.087 0.000 1.118 367 W HN -0.374 6.966 8.180 -1.346 0.032 0.675 368 E N -3.009 117.160 120.200 -0.050 0.000 2.452 368 E HA 0.155 nan 4.350 nan 0.000 0.197 368 E C 0.032 176.694 176.600 0.102 0.000 1.022 368 E CA -0.115 56.322 56.400 0.061 0.000 0.890 368 E CB 1.106 30.781 29.700 -0.042 0.000 0.918 368 E HN -0.309 7.671 8.360 -0.343 0.174 0.496 369 K N 0.213 120.687 120.400 0.122 0.000 2.350 369 K HA 0.066 nan 4.320 nan 0.000 0.279 369 K C -0.272 176.449 176.600 0.202 0.000 1.027 369 K CA 0.858 57.225 56.287 0.135 0.000 0.969 369 K CB 0.100 32.667 32.500 0.111 0.000 0.954 369 K HN -0.954 7.355 8.250 0.098 0.000 0.474 370 T N -1.989 112.625 114.554 0.100 0.000 3.260 370 T HA 0.322 nan 4.350 nan 0.000 0.254 370 T C 0.751 175.474 174.700 0.039 0.000 0.951 370 T CA -1.233 60.893 62.100 0.044 0.000 0.918 370 T CB -0.900 67.978 68.868 0.017 0.000 1.098 370 T HN 0.323 8.606 8.240 0.071 0.000 0.563 371 D N 2.497 122.956 120.400 0.099 0.000 2.263 371 D HA -0.299 nan 4.640 nan 0.000 0.208 371 D C 0.731 177.064 176.300 0.055 0.000 0.971 371 D CA 2.304 56.357 54.000 0.088 0.000 0.867 371 D CB -1.173 39.711 40.800 0.141 0.000 0.929 371 D HN 0.207 8.601 8.370 0.177 0.082 0.492 372 K N -1.613 118.805 120.400 0.030 0.000 2.444 372 K HA 0.062 nan 4.320 nan 0.000 0.193 372 K C 0.577 177.115 176.600 -0.104 0.000 1.024 372 K CA -0.594 55.676 56.287 -0.029 0.000 1.077 372 K CB 0.163 32.656 32.500 -0.011 0.000 0.833 372 K HN -0.598 7.811 8.250 0.019 -0.147 0.517 373 A N -0.076 122.700 122.820 -0.072 0.000 1.859 373 A HA -0.434 nan 4.320 nan 0.000 0.218 373 A C 1.667 179.182 177.584 -0.116 0.000 1.209 373 A CA 3.781 55.768 52.037 -0.084 0.000 0.639 373 A CB -0.802 18.169 19.000 -0.048 0.000 0.835 373 A HN -0.141 7.829 8.150 -0.039 0.157 0.450 374 Q N -1.710 118.035 119.800 -0.092 0.000 2.050 374 Q HA -0.256 nan 4.340 nan 0.000 0.202 374 Q C 2.164 178.075 176.000 -0.149 0.000 0.980 374 Q CA 2.485 58.232 55.803 -0.092 0.000 0.840 374 Q CB -0.871 27.836 28.738 -0.052 0.000 0.898 374 Q HN 0.229 8.459 8.270 -0.065 0.000 0.424 375 L N -1.842 119.268 121.223 -0.188 0.000 2.129 375 L HA -0.361 nan 4.340 nan 0.000 0.212 375 L C 2.555 179.052 176.870 -0.622 0.000 1.087 375 L CA 2.718 57.393 54.840 -0.275 0.000 0.757 375 L CB -0.560 41.380 42.059 -0.199 0.000 0.896 375 L HN -0.182 7.960 8.230 -0.148 0.000 0.434 376 L N -2.154 118.660 121.223 -0.681 0.000 2.027 376 L HA -0.364 nan 4.340 nan 0.000 0.206 376 L C 2.066 178.756 176.870 -0.299 0.000 1.074 376 L CA 3.552 58.012 54.840 -0.634 0.000 0.745 376 L CB -0.692 41.137 42.059 -0.382 0.000 0.898 376 L HN -0.373 7.545 8.230 -0.505 0.008 0.433 377 R N -0.800 119.581 120.500 -0.197 0.000 2.080 377 R HA -0.327 nan 4.340 nan 0.000 0.236 377 R C 2.383 178.632 176.300 -0.084 0.000 1.137 377 R CA 2.922 58.956 56.100 -0.110 0.000 0.943 377 R CB -0.578 29.672 30.300 -0.083 0.000 0.846 377 R HN -0.475 7.589 8.270 -0.207 0.082 0.431 378 D N -1.765 118.584 120.400 -0.085 0.000 2.349 378 D HA -0.055 nan 4.640 nan 0.000 0.224 378 D C 0.823 177.116 176.300 -0.013 0.000 1.029 378 D CA 1.486 55.462 54.000 -0.040 0.000 0.879 378 D CB -0.946 39.839 40.800 -0.025 0.000 0.906 378 D HN -0.018 8.284 8.370 -0.113 0.000 0.528 379 A N -1.943 120.862 122.820 -0.025 0.000 2.132 379 A HA 0.000 nan 4.320 nan 0.000 0.213 379 A C 0.198 177.803 177.584 0.035 0.000 1.154 379 A CA 0.531 52.602 52.037 0.056 0.000 0.753 379 A CB 0.109 19.224 19.000 0.191 0.000 0.826 379 A HN -0.267 7.818 8.150 -0.108 0.000 0.469 380 A N -0.446 122.369 122.820 -0.010 0.000 3.063 380 A HA 0.000 nan 4.320 nan 0.000 0.263 380 A C -0.035 177.549 177.584 0.001 0.000 1.736 380 A CA -0.953 51.083 52.037 -0.002 0.000 1.408 380 A CB -1.796 17.190 19.000 -0.024 0.000 1.108 380 A HN -0.567 7.384 8.150 -0.045 0.173 0.621 381 G N 1.999 110.807 108.800 0.012 0.000 2.622 381 G HA2 -0.343 nan 3.960 nan 0.000 0.307 381 G HA3 -0.343 nan 3.960 nan 0.000 0.307 381 G C -1.405 173.498 174.900 0.005 0.000 1.226 381 G CA 0.756 45.862 45.100 0.009 0.000 0.997 381 G HN 0.096 8.366 8.290 0.023 0.034 0.551 382 L N 2.116 123.339 121.223 -0.000 0.000 2.476 382 L HA 0.229 nan 4.340 nan 0.000 0.269 382 L C -1.848 175.018 176.870 -0.007 0.000 0.965 382 L CA -0.547 54.290 54.840 -0.005 0.000 0.845 382 L CB 1.824 43.883 42.059 -0.001 0.000 1.259 382 L HN 0.097 8.327 8.230 0.000 0.000 0.403 383 K N 0.000 120.392 120.400 -0.013 0.000 2.780 383 K HA 0.000 nan 4.320 nan 0.000 0.191 383 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 383 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 383 K HN 0.000 8.239 8.250 -0.018 0.000 0.543