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 3oqb_1_A DATA FIRST_RESID 3 DATA SEQUENCE TTQRLGLIXN GVTGRXGLNQ HLIRSIVAIR DQGGVRLKNG DRIXPDPILV DATA SEQUENCE GRSAEKVEAL AKRFNIARWT TDLDAALADK NDTXFFDAAT TQARPGLLTQ DATA SEQUENCE AINAGKHVYC EKPIATNFEE ALEVVKLANS KGVKHGTVQD KLFLPGLKKI DATA SEQUENCE AFLRDSGFFG RILSVRGEFG YWVFEGGWQE AQRPSWNYRD EDGGGIILDX DATA SEQUENCE VCHWRYVLDN LFGNVQSVVC IGNTDIPERF DEQGKKYKAT ADDSAYATFQ DATA SEQUENCE LEGGVIAHIN XSWVTRVYRD DLVTFQVDGT HGSAVAGLSD CXIQARQATP DATA SEQUENCE RPVWNPXXXX LHDFYGDWQK LPDNVSYDNG FKEQWEXFIR HVYEDAPYKF DATA SEQUENCE TLLEGAKGVQ LAECALKSWK ERRWIDVAPI 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.675 174.700 -0.042 0.000 1.109 3 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 3 T CB 0.000 68.853 68.868 -0.024 0.000 0.612 4 T N 1.820 116.346 114.554 -0.048 0.000 3.483 4 T HA 0.489 4.839 4.350 -0.001 0.000 0.329 4 T C -1.702 172.956 174.700 -0.071 0.000 1.014 4 T CA -0.513 61.550 62.100 -0.062 0.000 1.056 4 T CB 2.382 71.220 68.868 -0.050 0.000 1.090 4 T HN 0.383 nan 8.240 nan 0.000 0.460 5 Q N 2.595 122.330 119.800 -0.109 0.000 2.322 5 Q HA 0.458 4.797 4.340 -0.001 0.000 0.265 5 Q C -0.310 175.607 176.000 -0.138 0.000 0.985 5 Q CA -0.978 54.753 55.803 -0.119 0.000 0.849 5 Q CB 1.185 29.825 28.738 -0.164 0.000 1.274 5 Q HN 0.459 nan 8.270 nan 0.000 0.449 6 R N 4.466 124.919 120.500 -0.078 0.000 2.298 6 R HA 0.170 4.510 4.340 -0.001 0.000 0.310 6 R C -1.321 174.958 176.300 -0.035 0.000 1.068 6 R CA -0.388 55.678 56.100 -0.056 0.000 0.957 6 R CB 0.387 30.673 30.300 -0.024 0.000 1.003 6 R HN 0.558 nan 8.270 nan 0.000 0.454 7 L N 4.710 125.912 121.223 -0.035 0.000 2.259 7 L HA 0.412 4.752 4.340 -0.001 0.000 0.288 7 L C -0.041 176.879 176.870 0.085 0.000 1.051 7 L CA -0.084 54.784 54.840 0.048 0.000 0.824 7 L CB 1.319 43.397 42.059 0.031 0.000 1.206 7 L HN 0.735 nan 8.230 nan 0.000 0.429 8 G N 5.826 114.697 108.800 0.118 0.000 2.605 8 G HA2 0.380 4.340 3.960 -0.001 0.000 0.301 8 G HA3 0.380 4.340 3.960 -0.001 0.000 0.301 8 G C -0.730 174.263 174.900 0.156 0.000 0.881 8 G CA -0.276 44.891 45.100 0.112 0.000 1.553 8 G HN 0.677 nan 8.290 nan 0.000 0.483 9 L N 4.701 126.011 121.223 0.145 0.000 2.287 9 L HA 0.752 5.092 4.340 -0.001 0.000 0.287 9 L C -0.061 176.926 176.870 0.195 0.000 1.022 9 L CA -1.103 53.853 54.840 0.193 0.000 0.814 9 L CB 1.328 43.480 42.059 0.155 0.000 1.217 9 L HN 0.486 nan 8.230 nan 0.000 0.420 13 G N 0.742 109.519 108.800 -0.039 0.000 2.154 13 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.186 13 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.186 13 G C -0.178 174.718 174.900 -0.007 0.000 1.000 13 G CA -0.019 45.043 45.100 -0.063 0.000 0.664 13 G HN 1.452 nan 8.290 nan 0.000 0.513 14 V N -2.148 117.793 119.914 0.045 0.000 2.530 14 V HA 0.885 5.005 4.120 -0.001 0.000 0.282 14 V C 0.844 176.983 176.094 0.074 0.000 1.048 14 V CA 1.077 63.430 62.300 0.089 0.000 0.997 14 V CB 1.158 33.051 31.823 0.116 0.000 0.987 14 V HN 1.205 nan 8.190 nan 0.000 0.477 15 T N 2.333 116.932 114.554 0.075 0.000 5.270 15 T HA -0.012 4.338 4.350 -0.001 0.000 0.266 15 T C 0.495 175.229 174.700 0.058 0.000 2.220 15 T CA 0.430 62.569 62.100 0.065 0.000 3.809 15 T CB -1.570 67.327 68.868 0.047 0.000 0.147 15 T HN 1.750 nan 8.240 nan 0.000 0.482 16 G N 1.364 110.198 108.800 0.058 0.000 2.866 16 G HA2 0.643 4.603 3.960 -0.001 0.000 0.291 16 G HA3 0.643 4.603 3.960 -0.001 0.000 0.291 16 G C -0.412 174.529 174.900 0.067 0.000 1.476 16 G CA -0.000 45.134 45.100 0.058 0.000 1.048 16 G HN 0.527 nan 8.290 nan 0.000 0.542 20 L N 1.050 122.326 121.223 0.088 0.000 2.189 20 L HA 0.461 4.801 4.340 -0.001 0.000 0.199 20 L C 2.060 178.921 176.870 -0.015 0.000 1.074 20 L CA 2.224 57.096 54.840 0.054 0.000 0.783 20 L CB -0.435 41.663 42.059 0.066 0.000 0.955 20 L HN 0.176 nan 8.230 nan 0.000 0.460 21 N N -0.986 117.693 118.700 -0.036 0.000 2.109 21 N HA -0.149 4.591 4.740 -0.001 0.000 0.188 21 N C 1.671 177.079 175.510 -0.169 0.000 1.034 21 N CA 1.371 54.376 53.050 -0.076 0.000 0.846 21 N CB -0.047 38.412 38.487 -0.047 0.000 1.010 21 N HN 0.346 nan 8.380 nan 0.000 0.425 22 Q N -0.233 119.384 119.800 -0.305 0.000 2.187 22 Q HA -0.011 4.329 4.340 -0.001 0.000 0.199 22 Q C 1.319 177.013 176.000 -0.510 0.000 0.957 22 Q CA 1.206 56.652 55.803 -0.594 0.000 0.857 22 Q CB -0.043 27.860 28.738 -1.392 0.000 0.929 22 Q HN 0.612 nan 8.270 nan 0.000 0.453 23 H N -0.487 118.493 119.070 -0.149 0.000 2.379 23 H HA 0.068 4.623 4.556 -0.001 0.000 0.308 23 H C 2.020 177.235 175.328 -0.189 0.000 1.047 23 H CA 0.477 56.503 56.048 -0.037 0.000 1.371 23 H CB -0.094 29.813 29.762 0.242 0.000 1.449 23 H HN 0.095 nan 8.280 nan 0.000 0.564 24 L N 1.156 122.366 121.223 -0.022 0.000 2.005 24 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 24 L C 2.104 178.758 176.870 -0.361 0.000 1.072 24 L CA 1.446 56.176 54.840 -0.184 0.000 0.744 24 L CB -0.777 41.198 42.059 -0.139 0.000 0.895 24 L HN 0.103 nan 8.230 nan 0.000 0.433 25 I N -1.038 119.314 120.570 -0.363 0.000 2.260 25 I HA -0.108 4.061 4.170 -0.001 0.000 0.237 25 I C 2.454 178.423 176.117 -0.246 0.000 1.075 25 I CA 0.526 61.574 61.300 -0.419 0.000 1.376 25 I CB -0.452 37.373 38.000 -0.291 0.000 1.107 25 I HN 0.132 nan 8.210 nan 0.000 0.420 26 R N 0.648 121.042 120.500 -0.176 0.000 2.148 26 R HA 0.036 4.376 4.340 -0.001 0.000 0.223 26 R C 2.194 178.427 176.300 -0.111 0.000 1.088 26 R CA 0.947 56.980 56.100 -0.111 0.000 0.985 26 R CB -0.489 29.762 30.300 -0.080 0.000 0.880 26 R HN 0.331 nan 8.270 nan 0.000 0.451 27 S N 0.582 116.178 115.700 -0.172 0.000 2.432 27 S HA 0.083 4.552 4.470 -0.001 0.000 0.203 27 S C 1.978 176.372 174.600 -0.344 0.000 0.987 27 S CA 0.030 58.093 58.200 -0.228 0.000 0.908 27 S CB -0.110 62.906 63.200 -0.307 0.000 0.883 27 S HN -0.020 nan 8.310 nan 0.000 0.577 28 I N 1.828 122.121 120.570 -0.461 0.000 2.163 28 I HA -0.105 4.065 4.170 -0.001 0.000 0.240 28 I C 2.210 178.163 176.117 -0.273 0.000 1.081 28 I CA 0.991 62.031 61.300 -0.434 0.000 1.353 28 I CB -0.461 37.267 38.000 -0.453 0.000 1.054 28 I HN 0.094 nan 8.210 nan 0.000 0.407 29 V N 0.531 120.286 119.914 -0.265 0.000 2.427 29 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 29 V C 2.568 178.585 176.094 -0.128 0.000 1.051 29 V CA 1.727 63.909 62.300 -0.197 0.000 1.048 29 V CB -1.156 30.498 31.823 -0.283 0.000 0.666 29 V HN 0.492 nan 8.190 nan 0.000 0.456 30 A N -0.178 122.562 122.820 -0.134 0.000 1.930 30 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 30 A C 2.168 179.706 177.584 -0.076 0.000 1.175 30 A CA 1.550 53.537 52.037 -0.082 0.000 0.627 30 A CB -0.436 18.522 19.000 -0.070 0.000 0.815 30 A HN 0.504 nan 8.150 nan 0.000 0.443 31 I N -0.885 119.619 120.570 -0.110 0.000 2.202 31 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 31 I C 2.685 178.752 176.117 -0.083 0.000 1.091 31 I CA 1.560 62.802 61.300 -0.098 0.000 1.368 31 I CB -0.343 37.575 38.000 -0.136 0.000 1.058 31 I HN 0.406 nan 8.210 nan 0.000 0.410 32 R N 1.311 121.754 120.500 -0.094 0.000 2.094 32 R HA -0.250 4.090 4.340 -0.001 0.000 0.239 32 R C 1.687 177.961 176.300 -0.043 0.000 1.137 32 R CA 2.596 58.656 56.100 -0.067 0.000 0.943 32 R CB -0.366 29.896 30.300 -0.063 0.000 0.850 32 R HN 0.283 nan 8.270 nan 0.000 0.433 33 D N 0.019 120.397 120.400 -0.036 0.000 2.219 33 D HA -0.145 4.494 4.640 -0.001 0.000 0.205 33 D C 1.713 178.002 176.300 -0.019 0.000 0.970 33 D CA 0.861 54.850 54.000 -0.018 0.000 0.851 33 D CB -0.143 40.652 40.800 -0.008 0.000 0.943 33 D HN 0.390 nan 8.370 nan 0.000 0.488 34 Q N -0.428 119.356 119.800 -0.027 0.000 2.435 34 Q HA 0.020 4.360 4.340 -0.001 0.000 0.207 34 Q C 0.767 176.751 176.000 -0.026 0.000 0.956 34 Q CA 0.814 56.603 55.803 -0.024 0.000 0.917 34 Q CB 0.201 28.924 28.738 -0.026 0.000 0.997 34 Q HN 0.341 nan 8.270 nan 0.000 0.497 35 G N -0.865 107.916 108.800 -0.031 0.000 2.131 35 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.223 35 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.223 35 G C 0.389 175.262 174.900 -0.045 0.000 0.990 35 G CA -0.006 45.073 45.100 -0.034 0.000 0.671 35 G HN 0.897 nan 8.290 nan 0.000 0.521 36 G N -2.329 106.439 108.800 -0.053 0.000 2.660 36 G HA2 0.214 4.174 3.960 -0.001 0.000 0.247 36 G HA3 0.214 4.174 3.960 -0.001 0.000 0.247 36 G C -0.203 174.664 174.900 -0.056 0.000 1.328 36 G CA 0.039 45.099 45.100 -0.066 0.000 0.884 36 G HN 1.513 nan 8.290 nan 0.000 0.531 37 V N 2.964 122.840 119.914 -0.063 0.000 2.385 37 V HA 0.488 4.608 4.120 -0.001 0.000 0.269 37 V C 1.230 177.295 176.094 -0.047 0.000 1.043 37 V CA -0.209 62.066 62.300 -0.042 0.000 0.906 37 V CB 1.046 32.851 31.823 -0.030 0.000 0.995 37 V HN 1.036 nan 8.190 nan 0.000 0.467 38 R N 5.308 125.792 120.500 -0.028 0.000 2.784 38 R HA 0.321 4.661 4.340 -0.001 0.000 0.266 38 R C -1.171 175.116 176.300 -0.020 0.000 1.044 38 R CA -0.125 55.960 56.100 -0.025 0.000 1.151 38 R CB 0.286 30.578 30.300 -0.013 0.000 1.037 38 R HN 0.414 nan 8.270 nan 0.000 0.478 39 L N 1.095 122.305 121.223 -0.022 0.000 2.301 39 L HA 0.399 4.739 4.340 -0.001 0.000 0.264 39 L C 1.744 178.612 176.870 -0.004 0.000 1.016 39 L CA -0.558 54.276 54.840 -0.011 0.000 0.821 39 L CB 1.273 43.321 42.059 -0.019 0.000 1.346 39 L HN 0.761 nan 8.230 nan 0.000 0.429 40 K N 0.716 121.118 120.400 0.003 0.000 2.026 40 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 40 K C 1.478 178.078 176.600 -0.000 0.000 1.048 40 K CA 1.748 58.038 56.287 0.005 0.000 0.929 40 K CB -0.016 32.489 32.500 0.009 0.000 0.713 40 K HN 0.806 nan 8.250 nan 0.000 0.439 41 N N -0.389 118.310 118.700 -0.002 0.000 2.519 41 N HA -0.106 4.633 4.740 -0.001 0.000 0.186 41 N C 1.116 176.621 175.510 -0.009 0.000 1.062 41 N CA 1.813 54.860 53.050 -0.005 0.000 0.910 41 N CB 0.018 38.502 38.487 -0.005 0.000 0.958 41 N HN 0.433 nan 8.380 nan 0.000 0.445 42 G N -0.911 107.882 108.800 -0.012 0.000 2.307 42 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.210 42 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.210 42 G C -0.383 174.502 174.900 -0.025 0.000 1.005 42 G CA 0.051 45.142 45.100 -0.016 0.000 0.634 42 G HN 0.483 nan 8.290 nan 0.000 0.496 43 D N 1.463 121.844 120.400 -0.031 0.000 2.478 43 D HA 0.419 5.058 4.640 -0.001 0.000 0.234 43 D C 0.929 177.191 176.300 -0.063 0.000 1.154 43 D CA 0.553 54.523 54.000 -0.049 0.000 0.874 43 D CB 0.324 41.090 40.800 -0.056 0.000 1.198 43 D HN 0.440 nan 8.370 nan 0.000 0.455 44 R N 2.282 122.735 120.500 -0.078 0.000 2.439 44 R HA 0.408 4.748 4.340 -0.001 0.000 0.310 44 R C -0.214 176.004 176.300 -0.136 0.000 0.955 44 R CA -0.854 55.193 56.100 -0.089 0.000 0.853 44 R CB 1.544 31.805 30.300 -0.065 0.000 1.171 44 R HN 0.335 nan 8.270 nan 0.000 0.449 48 D N 2.946 123.339 120.400 -0.011 0.000 2.460 48 D HA 0.258 4.898 4.640 -0.001 0.000 0.268 48 D C -2.342 173.972 176.300 0.024 0.000 1.153 48 D CA -1.516 52.486 54.000 0.003 0.000 0.929 48 D CB 1.404 42.209 40.800 0.008 0.000 1.015 48 D HN 0.095 nan 8.370 nan 0.000 0.502 49 P HA 0.253 nan 4.420 nan 0.000 0.274 49 P C -0.199 177.144 177.300 0.073 0.000 1.237 49 P CA -0.539 62.587 63.100 0.042 0.000 0.793 49 P CB 1.604 33.309 31.700 0.008 0.000 0.977 50 I N 1.725 122.357 120.570 0.104 0.000 2.468 50 I HA 0.252 4.422 4.170 -0.001 0.000 0.284 50 I C -0.690 175.523 176.117 0.161 0.000 1.038 50 I CA -1.245 60.126 61.300 0.119 0.000 1.083 50 I CB 0.781 38.831 38.000 0.084 0.000 1.223 50 I HN 0.119 nan 8.210 nan 0.000 0.443 51 L N 7.470 128.809 121.223 0.194 0.000 2.380 51 L HA 0.431 4.771 4.340 -0.001 0.000 0.273 51 L C -0.422 176.576 176.870 0.214 0.000 1.138 51 L CA -0.656 54.303 54.840 0.197 0.000 0.832 51 L CB 1.056 43.233 42.059 0.197 0.000 1.124 51 L HN 0.300 nan 8.230 nan 0.000 0.454 52 V N 2.175 122.195 119.914 0.177 0.000 2.448 52 V HA 0.741 4.861 4.120 -0.001 0.000 0.295 52 V C 0.474 176.643 176.094 0.125 0.000 1.025 52 V CA -0.295 62.104 62.300 0.164 0.000 0.859 52 V CB 1.565 33.486 31.823 0.164 0.000 0.988 52 V HN 0.934 nan 8.190 nan 0.000 0.431 53 G N 3.768 112.639 108.800 0.118 0.000 2.605 53 G HA2 0.513 4.473 3.960 -0.001 0.000 0.296 53 G HA3 0.513 4.473 3.960 -0.001 0.000 0.296 53 G C 0.355 175.293 174.900 0.063 0.000 1.304 53 G CA -0.678 44.467 45.100 0.074 0.000 0.941 53 G HN 0.523 nan 8.290 nan 0.000 0.475 54 R N 0.159 120.682 120.500 0.038 0.000 2.062 54 R HA 0.046 4.385 4.340 -0.001 0.000 0.229 54 R C 0.535 176.851 176.300 0.026 0.000 1.128 54 R CA 0.628 56.746 56.100 0.029 0.000 0.960 54 R CB -0.564 29.745 30.300 0.015 0.000 0.855 54 R HN 0.305 nan 8.270 nan 0.000 0.432 55 S N 0.849 116.557 115.700 0.013 0.000 2.422 55 S HA 0.440 4.910 4.470 -0.001 0.000 0.308 55 S C 0.770 175.357 174.600 -0.021 0.000 1.097 55 S CA -0.187 58.012 58.200 -0.001 0.000 1.099 55 S CB 1.810 65.003 63.200 -0.012 0.000 0.976 55 S HN 0.357 nan 8.310 nan 0.000 0.471 56 A N 3.385 126.196 122.820 -0.015 0.000 1.978 56 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 56 A C 1.969 179.427 177.584 -0.211 0.000 1.170 56 A CA 1.761 53.767 52.037 -0.051 0.000 0.636 56 A CB -0.484 18.537 19.000 0.035 0.000 0.810 56 A HN 0.899 nan 8.150 nan 0.000 0.448 57 E N -0.387 119.723 120.200 -0.151 0.000 2.047 57 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 57 E C 1.526 178.012 176.600 -0.189 0.000 0.987 57 E CA 1.359 57.651 56.400 -0.180 0.000 0.799 57 E CB -0.261 29.377 29.700 -0.103 0.000 0.752 57 E HN 0.292 nan 8.360 nan 0.000 0.449 58 K N 0.370 120.696 120.400 -0.123 0.000 2.591 58 K HA 0.104 4.424 4.320 -0.001 0.000 0.197 58 K C 0.781 177.323 176.600 -0.097 0.000 1.026 58 K CA 0.203 56.434 56.287 -0.092 0.000 1.127 58 K CB 0.522 32.993 32.500 -0.047 0.000 0.871 58 K HN 0.190 nan 8.250 nan 0.000 0.507 59 V N -1.626 118.183 119.914 -0.176 0.000 3.368 59 V HA 0.070 4.190 4.120 -0.001 0.000 0.255 59 V C 1.591 177.432 176.094 -0.421 0.000 1.466 59 V CA 0.099 62.296 62.300 -0.172 0.000 1.095 59 V CB 0.469 32.259 31.823 -0.054 0.000 0.899 59 V HN 0.269 nan 8.190 nan 0.000 0.440 60 E N 1.207 120.971 120.200 -0.727 0.000 2.038 60 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 60 E C 1.963 178.233 176.600 -0.550 0.000 1.000 60 E CA 1.887 57.589 56.400 -1.164 0.000 0.803 60 E CB -0.013 29.103 29.700 -0.973 0.000 0.750 60 E HN 0.625 nan 8.360 nan 0.000 0.448 61 A N 0.902 123.532 122.820 -0.316 0.000 2.016 61 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 61 A C 2.163 179.674 177.584 -0.122 0.000 1.162 61 A CA 0.817 52.750 52.037 -0.173 0.000 0.662 61 A CB -0.467 18.451 19.000 -0.136 0.000 0.812 61 A HN 0.317 nan 8.150 nan 0.000 0.450 62 L N 0.057 121.218 121.223 -0.104 0.000 2.042 62 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 62 L C 2.634 179.548 176.870 0.075 0.000 1.076 62 L CA 2.256 57.093 54.840 -0.004 0.000 0.749 62 L CB -0.719 41.364 42.059 0.041 0.000 0.893 62 L HN 0.338 nan 8.230 nan 0.000 0.432 63 A N -0.800 122.054 122.820 0.057 0.000 1.883 63 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 63 A C 2.470 180.134 177.584 0.133 0.000 1.186 63 A CA 2.011 54.147 52.037 0.165 0.000 0.624 63 A CB -0.666 18.511 19.000 0.296 0.000 0.822 63 A HN 0.452 nan 8.150 nan 0.000 0.444 64 K N -0.520 119.915 120.400 0.058 0.000 2.217 64 K HA -0.080 4.240 4.320 -0.001 0.000 0.202 64 K C 2.200 178.776 176.600 -0.040 0.000 1.051 64 K CA 0.852 57.157 56.287 0.029 0.000 0.952 64 K CB -0.192 32.315 32.500 0.012 0.000 0.736 64 K HN 0.462 nan 8.250 nan 0.000 0.453 65 R N -0.507 119.925 120.500 -0.113 0.000 2.152 65 R HA -0.111 4.229 4.340 -0.001 0.000 0.232 65 R C 0.661 176.655 176.300 -0.511 0.000 1.117 65 R CA 1.244 57.151 56.100 -0.321 0.000 0.981 65 R CB 0.065 30.118 30.300 -0.412 0.000 0.870 65 R HN 0.087 nan 8.270 nan 0.000 0.451 66 F N -0.656 119.300 119.950 0.010 0.000 2.729 66 F HA 0.255 4.781 4.527 -0.001 0.000 0.315 66 F C 0.204 176.012 175.800 0.015 0.000 1.102 66 F CA -0.530 57.475 58.000 0.009 0.000 1.204 66 F CB 0.129 39.132 39.000 0.006 0.000 1.052 66 F HN -0.014 nan 8.300 nan 0.000 0.551 67 N N 0.302 119.086 118.700 0.139 0.000 2.754 67 N HA -0.221 4.519 4.740 -0.001 0.000 0.248 67 N C 0.663 176.242 175.510 0.115 0.000 1.093 67 N CA 0.368 53.480 53.050 0.104 0.000 0.699 67 N CB -1.242 37.291 38.487 0.076 0.000 1.016 67 N HN 0.250 nan 8.380 nan 0.000 0.552 68 I N 0.152 120.811 120.570 0.148 0.000 2.429 68 I HA 0.200 4.370 4.170 -0.001 0.000 0.247 68 I C 1.724 177.922 176.117 0.134 0.000 1.099 68 I CA 1.243 62.623 61.300 0.134 0.000 1.422 68 I CB -0.271 37.822 38.000 0.156 0.000 1.112 68 I HN 0.379 nan 8.210 nan 0.000 0.430 69 A N 0.891 123.825 122.820 0.190 0.000 2.832 69 A HA -0.248 4.072 4.320 -0.001 0.000 0.280 69 A C 0.546 178.202 177.584 0.120 0.000 1.464 69 A CA 0.906 53.064 52.037 0.202 0.000 0.804 69 A CB -2.005 17.068 19.000 0.122 0.000 1.020 69 A HN 0.435 nan 8.150 nan 0.000 0.563 70 R N -0.398 120.195 120.500 0.154 0.000 2.533 70 R HA 0.608 4.948 4.340 -0.001 0.000 0.288 70 R C -0.614 175.764 176.300 0.131 0.000 1.039 70 R CA 0.029 56.121 56.100 -0.013 0.000 0.909 70 R CB 1.729 32.030 30.300 0.000 0.000 1.195 70 R HN 0.958 nan 8.270 nan 0.000 0.438 71 W N 0.491 121.818 121.300 0.045 0.000 3.153 71 W HA 0.517 5.176 4.660 -0.001 0.000 0.316 71 W C -1.654 174.890 176.519 0.042 0.000 1.255 71 W CA -0.841 56.533 57.345 0.049 0.000 1.192 71 W CB 1.116 30.605 29.460 0.047 0.000 1.400 71 W HN 0.392 nan 8.180 nan 0.000 0.568 72 T N -0.233 114.556 114.554 0.391 0.000 2.868 72 T HA 0.346 4.696 4.350 -0.001 0.000 0.306 72 T C 0.369 175.228 174.700 0.265 0.000 1.224 72 T CA -0.471 61.780 62.100 0.252 0.000 1.012 72 T CB 2.439 71.369 68.868 0.104 0.000 1.221 72 T HN 0.366 nan 8.240 nan 0.000 0.499 73 T N 0.583 115.258 114.554 0.201 0.000 2.852 73 T HA 0.117 4.467 4.350 -0.001 0.000 0.256 73 T C 0.260 175.015 174.700 0.092 0.000 1.038 73 T CA 0.890 63.077 62.100 0.145 0.000 1.141 73 T CB -0.133 68.809 68.868 0.124 0.000 0.869 73 T HN 0.711 nan 8.240 nan 0.000 0.439 74 D N -0.604 119.839 120.400 0.072 0.000 2.646 74 D HA 0.387 5.026 4.640 -0.001 0.000 0.245 74 D C 0.703 177.022 176.300 0.032 0.000 1.099 74 D CA -0.505 53.521 54.000 0.043 0.000 0.849 74 D CB 1.274 42.090 40.800 0.027 0.000 1.448 74 D HN -0.097 nan 8.370 nan 0.000 0.489 75 L N 2.514 123.749 121.223 0.020 0.000 2.056 75 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 75 L C 0.961 177.810 176.870 -0.035 0.000 1.078 75 L CA 1.427 56.267 54.840 -0.000 0.000 0.749 75 L CB -0.167 41.880 42.059 -0.020 0.000 0.901 75 L HN 0.592 nan 8.230 nan 0.000 0.433 76 D N 0.184 120.560 120.400 -0.039 0.000 2.149 76 D HA -0.250 4.390 4.640 -0.001 0.000 0.194 76 D C 2.102 178.378 176.300 -0.041 0.000 1.001 76 D CA 1.632 55.602 54.000 -0.050 0.000 0.849 76 D CB -0.106 40.672 40.800 -0.037 0.000 0.939 76 D HN 0.425 nan 8.370 nan 0.000 0.449 77 A N 0.478 123.284 122.820 -0.024 0.000 1.930 77 A HA 0.192 4.512 4.320 -0.001 0.000 0.215 77 A C 2.238 179.812 177.584 -0.018 0.000 1.176 77 A CA 1.519 53.544 52.037 -0.020 0.000 0.632 77 A CB -0.734 18.258 19.000 -0.014 0.000 0.819 77 A HN 0.227 nan 8.150 nan 0.000 0.445 78 A N -0.076 122.739 122.820 -0.009 0.000 1.933 78 A HA -0.037 4.283 4.320 -0.001 0.000 0.218 78 A C 2.155 179.738 177.584 -0.002 0.000 1.175 78 A CA 1.473 53.514 52.037 0.007 0.000 0.628 78 A CB -0.558 18.465 19.000 0.037 0.000 0.814 78 A HN 0.465 nan 8.150 nan 0.000 0.444 79 L N -0.820 120.378 121.223 -0.042 0.000 2.005 79 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 79 L C 3.056 179.898 176.870 -0.047 0.000 1.072 79 L CA 1.137 55.931 54.840 -0.076 0.000 0.744 79 L CB -0.567 41.400 42.059 -0.154 0.000 0.895 79 L HN 0.399 nan 8.230 nan 0.000 0.433 80 A N -1.003 121.791 122.820 -0.044 0.000 2.131 80 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 80 A C 1.018 178.590 177.584 -0.021 0.000 1.158 80 A CA 0.836 52.853 52.037 -0.033 0.000 0.665 80 A CB -0.723 18.258 19.000 -0.031 0.000 0.795 80 A HN 0.397 nan 8.150 nan 0.000 0.460 81 D N -0.090 120.303 120.400 -0.013 0.000 2.417 81 D HA 0.069 4.708 4.640 -0.001 0.000 0.250 81 D C 0.772 177.074 176.300 0.004 0.000 1.166 81 D CA 0.283 54.281 54.000 -0.004 0.000 0.881 81 D CB 0.629 41.430 40.800 0.001 0.000 1.164 81 D HN 0.234 nan 8.370 nan 0.000 0.467 82 K N 2.754 123.155 120.400 0.002 0.000 2.379 82 K HA 0.039 4.358 4.320 -0.001 0.000 0.194 82 K C 1.126 177.737 176.600 0.018 0.000 1.031 82 K CA 0.111 56.401 56.287 0.006 0.000 1.037 82 K CB 0.213 32.712 32.500 -0.002 0.000 0.824 82 K HN 0.480 nan 8.250 nan 0.000 0.516 83 N N 0.700 119.411 118.700 0.020 0.000 2.396 83 N HA -0.074 4.665 4.740 -0.001 0.000 0.180 83 N C -0.018 175.520 175.510 0.046 0.000 1.028 83 N CA 0.444 53.511 53.050 0.027 0.000 0.893 83 N CB 0.211 38.709 38.487 0.017 0.000 0.967 83 N HN 0.052 nan 8.380 nan 0.000 0.440 84 D N -0.087 120.344 120.400 0.052 0.000 2.283 84 D HA 0.189 4.829 4.640 -0.001 0.000 0.248 84 D C 0.254 176.610 176.300 0.093 0.000 1.072 84 D CA 0.367 54.417 54.000 0.083 0.000 0.929 84 D CB 1.639 42.493 40.800 0.090 0.000 1.182 84 D HN -0.092 nan 8.370 nan 0.000 0.433 88 F N 5.323 124.873 119.950 -0.667 0.000 2.540 88 F HA 0.636 5.162 4.527 -0.000 0.000 0.317 88 F C -1.538 173.709 175.800 -0.921 0.000 1.104 88 F CA -0.753 56.900 58.000 -0.578 0.000 0.913 88 F CB 1.516 40.574 39.000 0.096 0.000 1.170 88 F HN 0.519 nan 8.300 nan 0.000 0.450 89 D N 3.851 123.415 120.400 -1.393 0.000 2.593 89 D HA 0.633 5.273 4.640 -0.001 0.000 0.251 89 D C -0.472 175.136 176.300 -1.153 0.000 1.140 89 D CA -0.152 53.219 54.000 -1.048 0.000 0.855 89 D CB 1.937 42.464 40.800 -0.454 0.000 1.267 89 D HN 0.670 nan 8.370 nan 0.000 0.532 90 A N 2.883 125.124 122.820 -0.964 0.000 2.508 90 A HA 0.644 4.964 4.320 -0.001 0.000 0.257 90 A C 1.126 178.579 177.584 -0.219 0.000 1.226 90 A CA 0.520 52.255 52.037 -0.504 0.000 0.947 90 A CB 0.102 18.928 19.000 -0.290 0.000 1.079 90 A HN 0.561 nan 8.150 nan 0.000 0.531 91 A N 0.035 122.726 122.820 -0.216 0.000 3.894 91 A HA 0.426 4.745 4.320 -0.001 0.000 0.155 91 A C 0.967 178.485 177.584 -0.110 0.000 1.539 91 A CA 0.756 52.724 52.037 -0.115 0.000 1.073 91 A CB -1.092 17.858 19.000 -0.082 0.000 1.250 91 A HN 0.250 nan 8.150 nan 0.000 0.538 92 T N 0.607 115.098 114.554 -0.105 0.000 2.834 92 T HA 0.278 4.628 4.350 -0.001 0.000 0.298 92 T C 1.084 175.698 174.700 -0.143 0.000 0.966 92 T CA 0.853 62.872 62.100 -0.135 0.000 1.141 92 T CB 0.875 69.674 68.868 -0.116 0.000 0.905 92 T HN 0.566 nan 8.240 nan 0.000 0.535 93 T N 2.717 117.153 114.554 -0.198 0.000 3.160 93 T HA -0.015 4.335 4.350 -0.001 0.000 0.257 93 T C 1.433 176.039 174.700 -0.156 0.000 1.147 93 T CA 0.642 62.636 62.100 -0.176 0.000 1.064 93 T CB -0.059 68.677 68.868 -0.221 0.000 0.949 93 T HN 0.498 nan 8.240 nan 0.000 0.526 94 Q N -0.091 119.616 119.800 -0.155 0.000 2.471 94 Q HA 0.398 4.737 4.340 -0.001 0.000 0.241 94 Q C 1.510 177.463 176.000 -0.079 0.000 0.886 94 Q CA 0.414 56.147 55.803 -0.118 0.000 0.953 94 Q CB 0.101 28.758 28.738 -0.135 0.000 1.108 94 Q HN 0.449 nan 8.270 nan 0.000 0.575 95 A N 1.464 124.238 122.820 -0.077 0.000 3.181 95 A HA 0.292 4.612 4.320 -0.001 0.000 0.293 95 A C 1.277 178.842 177.584 -0.032 0.000 1.346 95 A CA -0.208 51.799 52.037 -0.050 0.000 1.018 95 A CB -0.153 18.818 19.000 -0.047 0.000 1.093 95 A HN 0.085 nan 8.150 nan 0.000 0.629 96 R N -0.130 120.349 120.500 -0.034 0.000 2.164 96 R HA 0.084 4.424 4.340 -0.001 0.000 0.198 96 R C -1.135 175.167 176.300 0.003 0.000 1.028 96 R CA 0.376 56.468 56.100 -0.014 0.000 1.083 96 R CB -0.215 30.059 30.300 -0.042 0.000 1.026 96 R HN 0.330 nan 8.270 nan 0.000 0.514 97 P HA -0.077 nan 4.420 nan 0.000 0.216 97 P C 1.028 178.323 177.300 -0.009 0.000 1.150 97 P CA 1.663 64.758 63.100 -0.009 0.000 0.837 97 P CB -0.227 31.463 31.700 -0.017 0.000 0.786 98 G N -0.377 108.415 108.800 -0.014 0.000 2.403 98 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.216 98 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.216 98 G C 1.354 176.240 174.900 -0.023 0.000 1.154 98 G CA 0.316 45.403 45.100 -0.022 0.000 0.784 98 G HN 0.156 nan 8.290 nan 0.000 0.538 99 L N 0.268 121.489 121.223 -0.003 0.000 2.313 99 L HA 0.216 4.556 4.340 -0.001 0.000 0.214 99 L C 2.780 179.661 176.870 0.017 0.000 1.119 99 L CA 0.634 55.469 54.840 -0.009 0.000 0.809 99 L CB -0.715 41.379 42.059 0.059 0.000 0.933 99 L HN 0.259 nan 8.230 nan 0.000 0.449 100 L N -0.791 120.488 121.223 0.092 0.000 2.072 100 L HA -0.150 4.190 4.340 -0.001 0.000 0.205 100 L C 2.517 179.404 176.870 0.029 0.000 1.079 100 L CA 1.143 56.058 54.840 0.126 0.000 0.752 100 L CB -0.945 41.171 42.059 0.096 0.000 0.906 100 L HN 0.189 nan 8.230 nan 0.000 0.436 101 T N -0.719 113.831 114.554 -0.007 0.000 2.720 101 T HA -0.237 4.113 4.350 -0.001 0.000 0.268 101 T C 1.928 176.596 174.700 -0.054 0.000 1.037 101 T CA 1.370 63.452 62.100 -0.029 0.000 1.144 101 T CB -0.184 68.665 68.868 -0.031 0.000 0.864 101 T HN 0.369 nan 8.240 nan 0.000 0.444 102 Q N 0.493 120.242 119.800 -0.084 0.000 2.050 102 Q HA -0.054 4.286 4.340 -0.001 0.000 0.202 102 Q C 2.782 178.695 176.000 -0.146 0.000 0.980 102 Q CA 1.500 57.231 55.803 -0.119 0.000 0.840 102 Q CB -0.339 28.306 28.738 -0.154 0.000 0.898 102 Q HN 0.565 nan 8.270 nan 0.000 0.424 103 A N 0.699 123.395 122.820 -0.208 0.000 1.933 103 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 103 A C 2.014 179.572 177.584 -0.044 0.000 1.175 103 A CA 1.094 53.014 52.037 -0.195 0.000 0.628 103 A CB -0.565 18.278 19.000 -0.261 0.000 0.814 103 A HN 0.290 nan 8.150 nan 0.000 0.444 104 I N 0.077 120.639 120.570 -0.012 0.000 2.163 104 I HA -0.231 3.939 4.170 -0.001 0.000 0.240 104 I C 1.735 177.838 176.117 -0.024 0.000 1.081 104 I CA 1.128 62.430 61.300 0.003 0.000 1.353 104 I CB -0.433 37.568 38.000 0.001 0.000 1.054 104 I HN 0.271 nan 8.210 nan 0.000 0.407 105 N N 1.109 119.787 118.700 -0.037 0.000 2.519 105 N HA -0.081 4.659 4.740 -0.001 0.000 0.186 105 N C 1.387 176.871 175.510 -0.045 0.000 1.062 105 N CA 1.150 54.176 53.050 -0.040 0.000 0.910 105 N CB -0.087 38.375 38.487 -0.042 0.000 0.958 105 N HN 0.354 nan 8.380 nan 0.000 0.445 106 A N -0.222 122.567 122.820 -0.053 0.000 2.275 106 A HA 0.433 4.752 4.320 -0.001 0.000 0.212 106 A C 1.435 178.990 177.584 -0.047 0.000 1.201 106 A CA 0.471 52.477 52.037 -0.053 0.000 0.843 106 A CB -0.158 18.800 19.000 -0.070 0.000 0.873 106 A HN 0.228 nan 8.150 nan 0.000 0.492 107 G N -0.133 108.637 108.800 -0.050 0.000 2.160 107 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.251 107 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.251 107 G C 0.028 174.859 174.900 -0.114 0.000 1.008 107 G CA 0.415 45.471 45.100 -0.073 0.000 0.724 107 G HN 0.429 nan 8.290 nan 0.000 0.514 108 K N 0.597 120.961 120.400 -0.060 0.000 2.143 108 K HA 0.356 4.675 4.320 -0.001 0.000 0.272 108 K C 0.432 177.041 176.600 0.015 0.000 1.001 108 K CA -0.803 55.471 56.287 -0.023 0.000 0.915 108 K CB 0.764 33.321 32.500 0.094 0.000 1.047 108 K HN 0.382 nan 8.250 nan 0.000 0.458 109 H N 0.674 119.849 119.070 0.174 0.000 2.790 109 H HA 0.105 4.660 4.556 -0.001 0.000 0.358 109 H C -0.173 175.379 175.328 0.374 0.000 1.103 109 H CA 0.080 56.275 56.048 0.245 0.000 1.426 109 H CB 0.757 30.614 29.762 0.159 0.000 1.424 109 H HN 0.080 nan 8.280 nan 0.000 0.599 110 V N 3.864 124.124 119.914 0.578 0.000 2.531 110 V HA 0.136 4.256 4.120 -0.001 0.000 0.301 110 V C -1.050 175.227 176.094 0.306 0.000 1.034 110 V CA -0.706 61.862 62.300 0.446 0.000 0.865 110 V CB 1.677 33.709 31.823 0.348 0.000 0.995 110 V HN 0.610 nan 8.190 nan 0.000 0.424 111 Y N 5.280 125.576 120.300 -0.007 0.000 2.373 111 Y HA 0.712 5.262 4.550 -0.000 0.000 0.336 111 Y C -0.208 175.656 175.900 -0.060 0.000 0.979 111 Y CA -1.076 56.826 58.100 -0.330 0.000 1.080 111 Y CB 1.721 39.797 38.460 -0.641 0.000 1.190 111 Y HN 0.890 nan 8.280 nan 0.000 0.446 112 C N 5.036 124.024 119.300 -0.520 0.000 2.888 112 C HA 0.631 5.091 4.460 -0.001 0.000 0.308 112 C C -0.394 174.394 174.990 -0.336 0.000 1.213 112 C CA -0.820 58.013 59.018 -0.309 0.000 1.461 112 C CB 1.651 29.268 27.740 -0.206 0.000 1.934 112 C HN 0.866 nan 8.230 nan 0.000 0.474 113 E N 1.559 121.659 120.200 -0.166 0.000 2.416 113 E HA 0.113 4.463 4.350 -0.001 0.000 0.254 113 E C -0.266 176.287 176.600 -0.078 0.000 1.241 113 E CA 0.158 56.529 56.400 -0.049 0.000 0.969 113 E CB 0.566 30.294 29.700 0.047 0.000 0.999 113 E HN 0.754 nan 8.360 nan 0.000 0.481 114 K N 1.955 122.347 120.400 -0.013 0.000 2.174 114 K HA 0.240 4.560 4.320 -0.001 0.000 0.275 114 K C -2.082 174.504 176.600 -0.023 0.000 1.015 114 K CA -1.393 54.863 56.287 -0.051 0.000 0.933 114 K CB 0.647 33.098 32.500 -0.081 0.000 1.025 114 K HN 0.222 nan 8.250 nan 0.000 0.463 115 P HA 0.139 nan 4.420 nan 0.000 0.297 115 P C 0.733 178.000 177.300 -0.055 0.000 1.307 115 P CA -0.430 62.635 63.100 -0.058 0.000 0.773 115 P CB 0.474 32.150 31.700 -0.039 0.000 1.265 116 I N -3.302 117.243 120.570 -0.042 0.000 2.876 116 I HA 0.363 4.533 4.170 -0.001 0.000 0.264 116 I C 0.733 176.839 176.117 -0.019 0.000 1.204 116 I CA 0.511 61.790 61.300 -0.034 0.000 1.485 116 I CB -0.145 37.845 38.000 -0.016 0.000 1.103 116 I HN 0.310 nan 8.210 nan 0.000 0.446 117 A N 0.152 122.968 122.820 -0.007 0.000 2.524 117 A HA 0.624 4.944 4.320 -0.001 0.000 0.303 117 A C 0.376 177.963 177.584 0.005 0.000 1.195 117 A CA 0.087 52.123 52.037 -0.002 0.000 0.651 117 A CB 0.579 19.586 19.000 0.012 0.000 1.323 117 A HN 0.032 nan 8.150 nan 0.000 0.479 118 T N 0.788 115.347 114.554 0.009 0.000 2.971 118 T HA 0.216 4.566 4.350 -0.001 0.000 0.252 118 T C 0.482 175.206 174.700 0.040 0.000 1.022 118 T CA 0.575 62.683 62.100 0.013 0.000 0.980 118 T CB -0.179 68.685 68.868 -0.007 0.000 1.044 118 T HN 0.721 nan 8.240 nan 0.000 0.501 119 N N -0.501 118.232 118.700 0.056 0.000 2.455 119 N HA 0.177 4.917 4.740 -0.001 0.000 0.278 119 N C -0.038 175.569 175.510 0.162 0.000 1.291 119 N CA -0.464 52.644 53.050 0.096 0.000 0.780 119 N CB 1.480 40.009 38.487 0.070 0.000 1.520 119 N HN -0.152 nan 8.380 nan 0.000 0.486 120 F N 1.936 121.891 119.950 0.009 0.000 2.075 120 F HA -0.023 4.504 4.527 -0.001 0.000 0.297 120 F C 2.076 177.880 175.800 0.008 0.000 1.113 120 F CA 1.720 59.727 58.000 0.012 0.000 1.218 120 F CB -0.425 38.587 39.000 0.020 0.000 0.984 120 F HN 0.553 nan 8.300 nan 0.000 0.472 121 E N 0.417 120.566 120.200 -0.086 0.000 2.058 121 E HA -0.277 4.073 4.350 -0.001 0.000 0.194 121 E C 2.215 178.729 176.600 -0.144 0.000 0.997 121 E CA 1.664 57.936 56.400 -0.213 0.000 0.801 121 E CB -0.795 28.843 29.700 -0.102 0.000 0.746 121 E HN 0.621 nan 8.360 nan 0.000 0.450 122 E N 0.347 120.511 120.200 -0.060 0.000 2.110 122 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 122 E C 1.969 178.545 176.600 -0.040 0.000 0.988 122 E CA 0.950 57.325 56.400 -0.043 0.000 0.804 122 E CB -0.012 29.677 29.700 -0.018 0.000 0.745 122 E HN 0.214 nan 8.360 nan 0.000 0.458 123 A N 0.958 123.770 122.820 -0.014 0.000 1.858 123 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 123 A C 2.126 179.693 177.584 -0.028 0.000 1.190 123 A CA 1.405 53.449 52.037 0.011 0.000 0.617 123 A CB -0.741 18.315 19.000 0.093 0.000 0.827 123 A HN 0.377 nan 8.150 nan 0.000 0.443 124 L N 0.396 121.555 121.223 -0.106 0.000 2.131 124 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 124 L C 2.253 179.050 176.870 -0.122 0.000 1.092 124 L CA 2.678 57.422 54.840 -0.160 0.000 0.759 124 L CB -0.670 41.137 42.059 -0.420 0.000 0.903 124 L HN 0.656 nan 8.230 nan 0.000 0.435 125 E N -1.088 119.042 120.200 -0.117 0.000 2.150 125 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 125 E C 1.927 178.488 176.600 -0.065 0.000 0.985 125 E CA 1.351 57.699 56.400 -0.086 0.000 0.814 125 E CB 0.010 29.663 29.700 -0.078 0.000 0.752 125 E HN 0.400 nan 8.360 nan 0.000 0.466 126 V N 0.613 120.492 119.914 -0.058 0.000 2.453 126 V HA -0.193 3.926 4.120 -0.001 0.000 0.247 126 V C 2.400 178.445 176.094 -0.081 0.000 1.048 126 V CA 1.204 63.471 62.300 -0.054 0.000 1.049 126 V CB 0.051 31.853 31.823 -0.035 0.000 0.672 126 V HN 0.207 nan 8.190 nan 0.000 0.457 127 V N -0.131 119.738 119.914 -0.074 0.000 2.261 127 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 127 V C 2.446 178.485 176.094 -0.093 0.000 1.047 127 V CA 2.032 64.277 62.300 -0.093 0.000 1.015 127 V CB -0.731 31.083 31.823 -0.014 0.000 0.642 127 V HN 0.508 nan 8.190 nan 0.000 0.446 128 K N -0.414 119.951 120.400 -0.059 0.000 2.074 128 K HA -0.231 4.088 4.320 -0.001 0.000 0.209 128 K C 2.154 178.726 176.600 -0.047 0.000 1.048 128 K CA 1.648 57.910 56.287 -0.042 0.000 0.926 128 K CB -0.482 31.994 32.500 -0.041 0.000 0.713 128 K HN 0.257 nan 8.250 nan 0.000 0.444 129 L N 0.891 122.079 121.223 -0.058 0.000 2.012 129 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 129 L C 2.315 179.149 176.870 -0.059 0.000 1.073 129 L CA 1.843 56.652 54.840 -0.052 0.000 0.748 129 L CB -0.449 41.581 42.059 -0.049 0.000 0.891 129 L HN 0.164 nan 8.230 nan 0.000 0.431 130 A N -0.616 122.135 122.820 -0.114 0.000 1.855 130 A HA -0.216 4.103 4.320 -0.001 0.000 0.215 130 A C 2.061 179.616 177.584 -0.049 0.000 1.191 130 A CA 1.869 53.822 52.037 -0.142 0.000 0.613 130 A CB -0.786 17.960 19.000 -0.423 0.000 0.829 130 A HN 0.562 nan 8.150 nan 0.000 0.442 131 N N 0.204 118.882 118.700 -0.036 0.000 2.149 131 N HA -0.138 4.601 4.740 -0.001 0.000 0.188 131 N C 1.941 177.479 175.510 0.047 0.000 1.019 131 N CA 1.531 54.626 53.050 0.076 0.000 0.857 131 N CB -0.604 37.936 38.487 0.088 0.000 0.997 131 N HN 0.493 nan 8.380 nan 0.000 0.426 132 S N 0.352 116.059 115.700 0.013 0.000 2.419 132 S HA -0.063 4.406 4.470 -0.001 0.000 0.235 132 S C 1.188 175.793 174.600 0.009 0.000 1.019 132 S CA 1.009 59.213 58.200 0.007 0.000 0.982 132 S CB 0.086 63.281 63.200 -0.008 0.000 0.789 132 S HN 0.180 nan 8.310 nan 0.000 0.490 133 K N -0.112 120.295 120.400 0.012 0.000 2.387 133 K HA 0.285 4.605 4.320 -0.001 0.000 0.203 133 K C 1.147 177.763 176.600 0.026 0.000 1.030 133 K CA 0.568 56.861 56.287 0.010 0.000 1.099 133 K CB 0.067 32.565 32.500 -0.003 0.000 0.863 133 K HN 0.395 nan 8.250 nan 0.000 0.529 134 G N 2.399 111.232 108.800 0.055 0.000 2.233 134 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.270 134 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.270 134 G C 0.388 175.352 174.900 0.106 0.000 1.011 134 G CA 0.663 45.809 45.100 0.078 0.000 0.762 134 G HN 0.250 nan 8.290 nan 0.000 0.511 135 V N -2.917 117.078 119.914 0.135 0.000 2.649 135 V HA 0.683 4.802 4.120 -0.001 0.000 0.292 135 V C 0.635 176.982 176.094 0.422 0.000 1.055 135 V CA -1.616 60.802 62.300 0.196 0.000 1.023 135 V CB 1.462 33.359 31.823 0.123 0.000 0.992 135 V HN 0.173 nan 8.190 nan 0.000 0.480 136 K N 4.471 125.197 120.400 0.544 0.000 2.270 136 K HA 0.379 4.698 4.320 -0.001 0.000 0.276 136 K C -0.164 176.824 176.600 0.647 0.000 1.023 136 K CA 0.074 56.597 56.287 0.392 0.000 0.955 136 K CB 0.474 32.892 32.500 -0.138 0.000 0.975 136 K HN 1.195 nan 8.250 nan 0.000 0.471 137 H N -1.657 117.778 119.070 0.607 0.000 3.079 137 H HA 0.655 5.211 4.556 -0.001 0.000 0.356 137 H C -0.664 174.869 175.328 0.342 0.000 1.221 137 H CA -1.008 55.323 56.048 0.472 0.000 1.185 137 H CB 1.552 31.481 29.762 0.278 0.000 1.882 137 H HN 0.691 nan 8.280 nan 0.000 0.543 138 G N -0.029 108.789 108.800 0.030 0.000 2.623 138 G HA2 0.460 4.420 3.960 -0.001 0.000 0.290 138 G HA3 0.460 4.420 3.960 -0.001 0.000 0.290 138 G C -1.635 173.106 174.900 -0.264 0.000 1.437 138 G CA -0.293 44.809 45.100 0.003 0.000 0.798 138 G HN 0.738 nan 8.290 nan 0.000 0.488 139 T N -1.060 113.346 114.554 -0.248 0.000 2.906 139 T HA 0.541 4.891 4.350 -0.001 0.000 0.295 139 T C -0.391 174.039 174.700 -0.449 0.000 1.075 139 T CA -0.343 61.481 62.100 -0.459 0.000 1.005 139 T CB 1.652 70.373 68.868 -0.246 0.000 1.136 139 T HN 0.675 nan 8.240 nan 0.000 0.498 140 V N 4.843 124.466 119.914 -0.485 0.000 2.529 140 V HA 0.234 4.354 4.120 -0.001 0.000 0.292 140 V C 0.227 176.116 176.094 -0.342 0.000 1.028 140 V CA 0.279 62.406 62.300 -0.289 0.000 1.074 140 V CB 0.947 32.757 31.823 -0.022 0.000 0.958 140 V HN 0.757 nan 8.190 nan 0.000 0.481 141 Q N 3.608 123.110 119.800 -0.496 0.000 2.849 141 Q HA 0.151 4.491 4.340 -0.001 0.000 0.289 141 Q C 0.641 176.324 176.000 -0.528 0.000 1.012 141 Q CA -0.347 54.864 55.803 -0.988 0.000 0.899 141 Q CB 0.949 28.816 28.738 -1.452 0.000 1.235 141 Q HN 0.989 nan 8.270 nan 0.000 0.457 142 D N 0.511 120.824 120.400 -0.145 0.000 2.149 142 D HA -0.171 4.469 4.640 -0.001 0.000 0.201 142 D C 1.074 177.427 176.300 0.088 0.000 0.972 142 D CA 0.855 54.796 54.000 -0.098 0.000 0.835 142 D CB 0.437 40.971 40.800 -0.442 0.000 0.966 142 D HN 0.001 nan 8.370 nan 0.000 0.476 143 K N -0.173 120.374 120.400 0.245 0.000 2.160 143 K HA -0.050 4.270 4.320 -0.001 0.000 0.206 143 K C 1.934 178.584 176.600 0.083 0.000 1.047 143 K CA 0.342 56.718 56.287 0.148 0.000 0.930 143 K CB -0.573 31.964 32.500 0.062 0.000 0.720 143 K HN 0.100 nan 8.250 nan 0.000 0.450 144 L N -0.469 120.796 121.223 0.069 0.000 2.456 144 L HA -0.030 4.310 4.340 -0.001 0.000 0.224 144 L C 0.861 177.481 176.870 -0.417 0.000 1.148 144 L CA 1.465 56.167 54.840 -0.230 0.000 0.825 144 L CB -0.281 41.534 42.059 -0.406 0.000 0.937 144 L HN 0.126 nan 8.230 nan 0.000 0.450 145 F N -1.844 118.065 119.950 -0.069 0.000 2.695 145 F HA 0.199 4.726 4.527 -0.000 0.000 0.303 145 F C 0.846 176.618 175.800 -0.045 0.000 1.091 145 F CA -0.589 57.376 58.000 -0.059 0.000 1.300 145 F CB -0.105 38.829 39.000 -0.111 0.000 1.071 145 F HN -0.233 nan 8.300 nan 0.000 0.578 146 L N 2.137 123.404 121.223 0.073 0.000 2.453 146 L HA 0.074 4.413 4.340 -0.001 0.000 0.272 146 L C -1.220 175.596 176.870 -0.089 0.000 1.182 146 L CA -1.522 53.326 54.840 0.014 0.000 0.858 146 L CB 0.272 42.353 42.059 0.038 0.000 1.120 146 L HN -0.145 nan 8.230 nan 0.000 0.474 147 P HA -0.187 nan 4.420 nan 0.000 0.216 147 P C 1.465 178.579 177.300 -0.310 0.000 1.154 147 P CA 1.533 64.242 63.100 -0.653 0.000 0.865 147 P CB 0.169 31.335 31.700 -0.889 0.000 0.789 148 G N -0.490 108.226 108.800 -0.139 0.000 2.418 148 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 148 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 148 G C 1.445 176.362 174.900 0.028 0.000 1.158 148 G CA 0.524 45.613 45.100 -0.018 0.000 0.771 148 G HN 0.243 nan 8.290 nan 0.000 0.545 149 L N -0.458 120.768 121.223 0.005 0.000 2.240 149 L HA 0.093 4.432 4.340 -0.001 0.000 0.211 149 L C 2.821 179.683 176.870 -0.014 0.000 1.106 149 L CA 0.612 55.440 54.840 -0.020 0.000 0.793 149 L CB -0.230 41.783 42.059 -0.077 0.000 0.927 149 L HN 0.181 nan 8.230 nan 0.000 0.446 150 K N 0.492 120.894 120.400 0.004 0.000 2.097 150 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 150 K C 2.087 178.781 176.600 0.156 0.000 1.049 150 K CA 1.182 57.517 56.287 0.079 0.000 0.933 150 K CB 0.067 32.663 32.500 0.161 0.000 0.717 150 K HN 0.248 nan 8.250 nan 0.000 0.442 151 K N 0.518 121.002 120.400 0.140 0.000 2.057 151 K HA -0.074 4.246 4.320 -0.001 0.000 0.206 151 K C 2.014 178.775 176.600 0.268 0.000 1.050 151 K CA 0.908 57.331 56.287 0.227 0.000 0.935 151 K CB -0.038 32.551 32.500 0.148 0.000 0.715 151 K HN 0.060 nan 8.250 nan 0.000 0.439 152 I N 1.491 122.182 120.570 0.201 0.000 2.163 152 I HA -0.276 3.893 4.170 -0.001 0.000 0.243 152 I C 2.560 178.807 176.117 0.216 0.000 1.085 152 I CA 1.435 62.891 61.300 0.259 0.000 1.347 152 I CB -1.372 36.740 38.000 0.187 0.000 1.044 152 I HN 0.126 nan 8.210 nan 0.000 0.408 153 A N 1.032 123.917 122.820 0.108 0.000 1.873 153 A HA -0.298 4.021 4.320 -0.001 0.000 0.218 153 A C 2.316 179.989 177.584 0.148 0.000 1.193 153 A CA 1.961 54.044 52.037 0.076 0.000 0.629 153 A CB -1.296 17.727 19.000 0.038 0.000 0.826 153 A HN 0.434 nan 8.150 nan 0.000 0.447 154 F N 0.637 120.620 119.950 0.055 0.000 2.120 154 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 154 F C 1.839 177.663 175.800 0.040 0.000 1.095 154 F CA 1.882 59.911 58.000 0.047 0.000 1.249 154 F CB -0.370 38.658 39.000 0.046 0.000 0.995 154 F HN 0.150 nan 8.300 nan 0.000 0.480 155 L N 0.128 121.228 121.223 -0.205 0.000 2.093 155 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 155 L C 2.790 179.563 176.870 -0.161 0.000 1.085 155 L CA 1.680 56.272 54.840 -0.415 0.000 0.755 155 L CB -0.707 41.110 42.059 -0.403 0.000 0.904 155 L HN 0.179 nan 8.230 nan 0.000 0.435 156 R N 0.382 120.978 120.500 0.161 0.000 2.062 156 R HA -0.178 4.162 4.340 -0.001 0.000 0.231 156 R C 1.810 178.156 176.300 0.076 0.000 1.136 156 R CA 2.012 58.276 56.100 0.275 0.000 0.948 156 R CB -0.218 30.214 30.300 0.221 0.000 0.845 156 R HN 0.249 nan 8.270 nan 0.000 0.430 157 D N 0.241 120.644 120.400 0.005 0.000 2.221 157 D HA -0.123 4.517 4.640 -0.001 0.000 0.204 157 D C 1.742 178.002 176.300 -0.066 0.000 0.982 157 D CA 1.740 55.731 54.000 -0.015 0.000 0.857 157 D CB -0.069 40.739 40.800 0.012 0.000 0.934 157 D HN 0.410 nan 8.370 nan 0.000 0.475 158 S N -1.198 114.392 115.700 -0.184 0.000 2.575 158 S HA 0.288 4.757 4.470 -0.001 0.000 0.215 158 S C 1.683 176.220 174.600 -0.105 0.000 0.966 158 S CA 0.518 58.590 58.200 -0.212 0.000 0.911 158 S CB 0.409 63.305 63.200 -0.506 0.000 0.780 158 S HN 0.285 nan 8.310 nan 0.000 0.514 159 G N 1.090 109.862 108.800 -0.047 0.000 2.143 159 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.248 159 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.248 159 G C 0.228 175.127 174.900 -0.002 0.000 0.991 159 G CA 0.254 45.351 45.100 -0.006 0.000 0.689 159 G HN 0.632 nan 8.290 nan 0.000 0.522 160 F N 0.406 120.232 119.950 -0.207 0.000 2.171 160 F HA 0.171 4.698 4.527 -0.000 0.000 0.300 160 F C 2.052 177.737 175.800 -0.192 0.000 1.090 160 F CA 1.947 59.789 58.000 -0.263 0.000 1.293 160 F CB -0.158 38.552 39.000 -0.483 0.000 1.013 160 F HN 0.136 nan 8.300 nan 0.000 0.486 161 F N 0.747 120.706 119.950 0.016 0.000 2.661 161 F HA 0.221 4.747 4.527 -0.001 0.000 0.298 161 F C 2.154 177.843 175.800 -0.185 0.000 1.137 161 F CA 0.685 58.644 58.000 -0.068 0.000 1.454 161 F CB -0.910 38.148 39.000 0.098 0.000 1.103 161 F HN 0.244 nan 8.300 nan 0.000 0.577 162 G N 0.434 109.159 108.800 -0.124 0.000 2.815 162 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.326 162 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.326 162 G C 0.601 175.385 174.900 -0.195 0.000 1.191 162 G CA 0.381 45.196 45.100 -0.475 0.000 0.965 162 G HN 0.363 nan 8.290 nan 0.000 0.564 163 R N 0.585 120.983 120.500 -0.171 0.000 2.265 163 R HA 0.581 4.920 4.340 -0.001 0.000 0.328 163 R C 0.260 176.552 176.300 -0.014 0.000 0.969 163 R CA -0.752 55.309 56.100 -0.065 0.000 0.832 163 R CB 0.301 30.556 30.300 -0.074 0.000 1.139 163 R HN 0.430 nan 8.270 nan 0.000 0.457 164 I N 6.261 126.826 120.570 -0.009 0.000 2.668 164 I HA -0.127 4.043 4.170 -0.001 0.000 0.285 164 I C 1.044 177.122 176.117 -0.065 0.000 1.168 164 I CA 0.372 61.626 61.300 -0.076 0.000 1.424 164 I CB 0.779 38.712 38.000 -0.112 0.000 1.377 164 I HN 0.690 nan 8.210 nan 0.000 0.560 165 L N 5.091 126.269 121.223 -0.075 0.000 2.349 165 L HA 0.167 4.507 4.340 -0.001 0.000 0.200 165 L C 0.558 177.382 176.870 -0.077 0.000 1.064 165 L CA 0.362 55.170 54.840 -0.055 0.000 0.821 165 L CB -0.032 42.011 42.059 -0.027 0.000 1.027 165 L HN 0.762 nan 8.230 nan 0.000 0.476 166 S N -1.502 114.129 115.700 -0.115 0.000 2.552 166 S HA 0.640 5.110 4.470 -0.001 0.000 0.272 166 S C -1.078 173.397 174.600 -0.208 0.000 1.150 166 S CA -0.793 57.332 58.200 -0.125 0.000 0.849 166 S CB 2.310 65.475 63.200 -0.058 0.000 1.113 166 S HN -0.209 nan 8.310 nan 0.000 0.458 167 V N 1.739 121.511 119.914 -0.237 0.000 2.531 167 V HA 0.605 4.725 4.120 -0.001 0.000 0.301 167 V C -0.460 175.561 176.094 -0.121 0.000 1.034 167 V CA -0.574 61.535 62.300 -0.318 0.000 0.865 167 V CB 1.755 33.174 31.823 -0.672 0.000 0.995 167 V HN 0.905 nan 8.190 nan 0.000 0.424 168 R N 2.671 123.132 120.500 -0.065 0.000 2.393 168 R HA 0.685 5.025 4.340 -0.001 0.000 0.315 168 R C 0.096 176.315 176.300 -0.135 0.000 0.952 168 R CA -0.289 55.786 56.100 -0.041 0.000 0.842 168 R CB 1.983 32.270 30.300 -0.021 0.000 1.163 168 R HN 0.892 nan 8.270 nan 0.000 0.450 169 G N 2.169 110.809 108.800 -0.267 0.000 2.470 169 G HA2 0.381 4.341 3.960 -0.001 0.000 0.320 169 G HA3 0.381 4.341 3.960 -0.001 0.000 0.320 169 G C -0.837 173.757 174.900 -0.510 0.000 1.245 169 G CA -0.390 44.278 45.100 -0.720 0.000 0.935 169 G HN 0.407 nan 8.290 nan 0.000 0.476 170 E N 1.844 121.746 120.200 -0.497 0.000 2.279 170 E HA 0.283 4.633 4.350 -0.001 0.000 0.252 170 E C -1.775 174.729 176.600 -0.159 0.000 0.894 170 E CA -0.548 55.707 56.400 -0.241 0.000 0.785 170 E CB 2.558 32.172 29.700 -0.143 0.000 1.237 170 E HN 0.375 nan 8.360 nan 0.000 0.418 171 F N 1.614 121.407 119.950 -0.262 0.000 2.540 171 F HA 0.683 5.210 4.527 -0.001 0.000 0.317 171 F C 0.275 175.989 175.800 -0.144 0.000 1.104 171 F CA 0.220 58.128 58.000 -0.154 0.000 0.913 171 F CB 1.708 40.674 39.000 -0.057 0.000 1.170 171 F HN 0.589 nan 8.300 nan 0.000 0.450 172 G N 3.673 111.847 108.800 -1.044 0.000 2.371 172 G HA2 0.272 4.232 3.960 -0.001 0.000 0.663 172 G HA3 0.272 4.232 3.960 -0.001 0.000 0.663 172 G C -2.157 172.616 174.900 -0.212 0.000 1.311 172 G CA -0.381 44.178 45.100 -0.902 0.000 0.985 172 G HN 1.510 nan 8.290 nan 0.000 0.566 173 Y N -3.971 116.250 120.300 -0.131 0.000 2.725 173 Y HA 0.739 5.289 4.550 -0.000 0.000 0.333 173 Y C -0.778 175.154 175.900 0.053 0.000 1.242 173 Y CA -2.030 56.068 58.100 -0.004 0.000 1.059 173 Y CB 0.958 39.422 38.460 0.005 0.000 1.306 173 Y HN 0.910 nan 8.280 nan 0.000 0.454 174 W N 3.442 124.756 121.300 0.023 0.000 2.437 174 W HA 0.551 5.210 4.660 -0.001 0.000 0.312 174 W C -1.414 174.931 176.519 -0.290 0.000 1.242 174 W CA -0.611 56.629 57.345 -0.176 0.000 1.340 174 W CB 1.313 30.612 29.460 -0.268 0.000 1.327 174 W HN 0.422 nan 8.180 nan 0.000 0.476 175 V N 8.834 128.440 119.914 -0.514 0.000 2.368 175 V HA 0.023 4.142 4.120 -0.001 0.000 0.266 175 V C 0.305 176.228 176.094 -0.284 0.000 1.045 175 V CA -0.543 61.558 62.300 -0.331 0.000 0.899 175 V CB -0.185 31.434 31.823 -0.339 0.000 1.006 175 V HN 0.206 nan 8.190 nan 0.000 0.470 176 F N 3.448 123.502 119.950 0.172 0.000 2.629 176 F HA 0.027 4.554 4.527 -0.001 0.000 0.377 176 F C 1.518 177.354 175.800 0.059 0.000 1.101 176 F CA 0.128 58.270 58.000 0.236 0.000 1.301 176 F CB 0.256 39.386 39.000 0.217 0.000 1.062 176 F HN 0.567 nan 8.300 nan 0.000 0.583 177 E N 1.384 121.766 120.200 0.303 0.000 2.274 177 E HA 0.087 4.437 4.350 -0.001 0.000 0.194 177 E C 1.898 178.615 176.600 0.194 0.000 0.996 177 E CA 1.003 57.482 56.400 0.132 0.000 0.840 177 E CB -0.108 29.683 29.700 0.152 0.000 0.772 177 E HN 0.944 nan 8.360 nan 0.000 0.491 178 G N -0.634 108.237 108.800 0.119 0.000 2.179 178 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.220 178 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.220 178 G C 1.061 175.628 174.900 -0.554 0.000 0.990 178 G CA 0.092 45.181 45.100 -0.019 0.000 0.646 178 G HN 0.466 nan 8.290 nan 0.000 0.517 179 G N 0.013 108.272 108.800 -0.901 0.000 2.433 179 G HA2 0.047 4.006 3.960 -0.001 0.000 0.216 179 G HA3 0.047 4.006 3.960 -0.001 0.000 0.216 179 G C 1.356 175.574 174.900 -1.137 0.000 1.186 179 G CA 1.687 45.802 45.100 -1.642 0.000 0.779 179 G HN 0.728 nan 8.290 nan 0.000 0.543 180 W N -0.484 120.668 121.300 -0.246 0.000 2.866 180 W HA 0.450 5.110 4.660 -0.001 0.000 0.258 180 W C 1.023 177.414 176.519 -0.214 0.000 1.183 180 W CA -0.435 56.789 57.345 -0.202 0.000 1.451 180 W CB 0.623 29.988 29.460 -0.158 0.000 0.959 180 W HN -0.022 nan 8.180 nan 0.000 0.622 181 Q N 1.279 121.049 119.800 -0.050 0.000 2.365 181 Q HA 0.240 4.580 4.340 -0.001 0.000 0.269 181 Q C -0.881 175.071 176.000 -0.081 0.000 1.061 181 Q CA -0.849 54.841 55.803 -0.190 0.000 0.816 181 Q CB 2.771 31.119 28.738 -0.649 0.000 1.325 181 Q HN -0.013 nan 8.270 nan 0.000 0.446 182 E N 1.126 121.301 120.200 -0.042 0.000 2.415 182 E HA 0.199 4.548 4.350 -0.001 0.000 0.263 182 E C -0.780 175.898 176.600 0.130 0.000 0.995 182 E CA -0.232 56.189 56.400 0.035 0.000 0.915 182 E CB 0.655 30.373 29.700 0.029 0.000 0.951 182 E HN 0.618 nan 8.360 nan 0.000 0.449 183 A N 4.222 127.126 122.820 0.140 0.000 2.488 183 A HA 0.004 4.324 4.320 -0.001 0.000 0.249 183 A C 0.576 178.241 177.584 0.135 0.000 1.083 183 A CA -0.160 51.973 52.037 0.159 0.000 0.768 183 A CB 0.544 19.599 19.000 0.092 0.000 1.017 183 A HN 0.841 nan 8.150 nan 0.000 0.496 184 Q N 0.558 120.455 119.800 0.161 0.000 2.364 184 Q HA -0.033 4.307 4.340 -0.001 0.000 0.207 184 Q C 0.378 176.409 176.000 0.052 0.000 0.970 184 Q CA 1.270 57.156 55.803 0.139 0.000 0.888 184 Q CB 0.057 28.928 28.738 0.223 0.000 0.951 184 Q HN 0.716 nan 8.270 nan 0.000 0.469 185 R N 0.028 120.524 120.500 -0.008 0.000 2.807 185 R HA 0.441 4.781 4.340 -0.001 0.000 0.276 185 R C -2.631 173.624 176.300 -0.075 0.000 0.979 185 R CA -2.222 53.813 56.100 -0.108 0.000 0.928 185 R CB 1.099 31.217 30.300 -0.304 0.000 1.191 185 R HN -0.119 nan 8.270 nan 0.000 0.471 186 P HA -0.007 nan 4.420 nan 0.000 0.272 186 P C 0.422 177.595 177.300 -0.212 0.000 1.223 186 P CA -0.123 62.893 63.100 -0.139 0.000 0.784 186 P CB 0.801 32.430 31.700 -0.117 0.000 0.923 187 S N 1.514 117.188 115.700 -0.043 0.000 2.447 187 S HA -0.127 4.342 4.470 -0.001 0.000 0.233 187 S C 1.680 176.265 174.600 -0.025 0.000 1.006 187 S CA 0.261 58.482 58.200 0.034 0.000 0.957 187 S CB -1.159 61.966 63.200 -0.125 0.000 0.773 187 S HN 0.733 nan 8.310 nan 0.000 0.507 188 W N 2.446 123.715 121.300 -0.051 0.000 2.421 188 W HA 0.002 4.661 4.660 -0.001 0.000 0.270 188 W C 1.028 177.496 176.519 -0.085 0.000 1.233 188 W CA 0.474 57.777 57.345 -0.070 0.000 1.226 188 W CB -1.091 28.331 29.460 -0.064 0.000 1.121 188 W HN 0.249 nan 8.180 nan 0.000 0.579 189 N N 0.755 118.981 118.700 -0.790 0.000 2.364 189 N HA -0.167 4.572 4.740 -0.001 0.000 0.183 189 N C 0.376 175.452 175.510 -0.723 0.000 1.022 189 N CA 1.288 53.745 53.050 -0.988 0.000 0.883 189 N CB -0.508 37.110 38.487 -1.448 0.000 0.965 189 N HN 0.321 nan 8.380 nan 0.000 0.438 190 Y N 0.032 120.323 120.300 -0.014 0.000 2.555 190 Y HA 0.320 4.870 4.550 -0.001 0.000 0.259 190 Y C 0.241 176.250 175.900 0.181 0.000 1.179 190 Y CA -0.222 57.940 58.100 0.102 0.000 1.230 190 Y CB 0.479 39.015 38.460 0.126 0.000 1.146 190 Y HN -0.286 nan 8.280 nan 0.000 0.526 191 R N 0.399 121.030 120.500 0.218 0.000 2.393 191 R HA 0.130 4.470 4.340 -0.001 0.000 0.315 191 R C 0.029 176.426 176.300 0.162 0.000 0.952 191 R CA -0.362 55.858 56.100 0.200 0.000 0.842 191 R CB 1.402 31.799 30.300 0.162 0.000 1.163 191 R HN 0.062 nan 8.270 nan 0.000 0.450 192 D N 2.525 123.009 120.400 0.140 0.000 2.104 192 D HA -0.213 4.426 4.640 -0.001 0.000 0.194 192 D C 1.656 178.013 176.300 0.095 0.000 0.994 192 D CA 1.615 55.685 54.000 0.116 0.000 0.830 192 D CB 0.537 41.394 40.800 0.095 0.000 0.959 192 D HN 0.624 nan 8.370 nan 0.000 0.452 193 E N 0.048 120.297 120.200 0.081 0.000 2.204 193 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 193 E C 0.584 177.215 176.600 0.051 0.000 0.990 193 E CA 1.051 57.484 56.400 0.055 0.000 0.821 193 E CB -0.324 29.403 29.700 0.044 0.000 0.750 193 E HN 0.393 nan 8.360 nan 0.000 0.477 194 D N 0.178 120.629 120.400 0.085 0.000 2.368 194 D HA 0.184 4.823 4.640 -0.001 0.000 0.218 194 D C 0.770 177.129 176.300 0.098 0.000 1.112 194 D CA 0.663 54.707 54.000 0.073 0.000 0.834 194 D CB 0.754 41.626 40.800 0.119 0.000 0.953 194 D HN 0.416 nan 8.370 nan 0.000 0.505 195 G N 0.601 109.476 108.800 0.125 0.000 2.141 195 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.231 195 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.231 195 G C 0.767 175.838 174.900 0.284 0.000 0.984 195 G CA -0.176 45.006 45.100 0.137 0.000 0.660 195 G HN 0.545 nan 8.290 nan 0.000 0.525 196 G N -0.710 108.265 108.800 0.292 0.000 2.651 196 G HA2 0.778 4.738 3.960 -0.001 0.000 0.260 196 G HA3 0.778 4.738 3.960 -0.001 0.000 0.260 196 G C 0.660 175.637 174.900 0.129 0.000 1.216 196 G CA 0.654 45.874 45.100 0.200 0.000 0.913 196 G HN 1.977 nan 8.290 nan 0.000 0.535 197 G N -1.344 107.493 108.800 0.062 0.000 2.653 197 G HA2 0.043 4.003 3.960 -0.001 0.000 0.656 197 G HA3 0.043 4.003 3.960 -0.001 0.000 0.656 197 G C 0.359 175.313 174.900 0.090 0.000 1.419 197 G CA -0.013 45.146 45.100 0.098 0.000 0.862 197 G HN 1.027 nan 8.290 nan 0.000 0.639 198 I N 1.561 122.169 120.570 0.062 0.000 2.584 198 I HA 0.127 4.296 4.170 -0.001 0.000 0.255 198 I C 2.410 178.493 176.117 -0.056 0.000 1.145 198 I CA 0.444 61.736 61.300 -0.013 0.000 1.462 198 I CB -0.125 37.731 38.000 -0.240 0.000 1.102 198 I HN 0.638 nan 8.210 nan 0.000 0.433 199 I N 0.191 120.742 120.570 -0.031 0.000 2.142 199 I HA -0.307 3.862 4.170 -0.001 0.000 0.240 199 I C 2.333 178.453 176.117 0.004 0.000 1.078 199 I CA 1.284 62.577 61.300 -0.012 0.000 1.343 199 I CB -0.363 37.653 38.000 0.026 0.000 1.046 199 I HN 0.275 nan 8.210 nan 0.000 0.405 200 L N 0.596 121.844 121.223 0.041 0.000 2.131 200 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 200 L C 1.147 178.020 176.870 0.005 0.000 1.092 200 L CA 1.643 56.505 54.840 0.037 0.000 0.759 200 L CB -0.647 41.457 42.059 0.075 0.000 0.903 200 L HN 0.247 nan 8.230 nan 0.000 0.435 204 C N 1.037 120.216 119.300 -0.202 0.000 2.391 204 C HA -0.235 4.225 4.460 -0.001 0.000 0.276 204 C C 2.576 177.414 174.990 -0.254 0.000 1.217 204 C CA 2.228 61.132 59.018 -0.189 0.000 1.766 204 C CB -1.094 26.526 27.740 -0.199 0.000 2.046 204 C HN 0.697 nan 8.230 nan 0.000 0.475 205 H N -1.675 117.122 119.070 -0.455 0.000 2.357 205 H HA -0.124 4.432 4.556 -0.001 0.000 0.301 205 H C 2.188 177.039 175.328 -0.795 0.000 1.082 205 H CA 2.142 57.783 56.048 -0.678 0.000 1.342 205 H CB -0.699 28.437 29.762 -1.043 0.000 1.389 205 H HN 0.768 nan 8.280 nan 0.000 0.511 206 W N 1.012 122.156 121.300 -0.261 0.000 2.425 206 W HA -0.102 4.558 4.660 -0.001 0.000 0.277 206 W C 2.697 178.990 176.519 -0.376 0.000 1.231 206 W CA -0.065 57.071 57.345 -0.348 0.000 1.248 206 W CB -0.057 29.220 29.460 -0.306 0.000 1.117 206 W HN 0.030 nan 8.180 nan 0.000 0.568 207 R N 1.604 122.058 120.500 -0.077 0.000 2.115 207 R HA -0.281 4.058 4.340 -0.001 0.000 0.239 207 R C 2.106 178.398 176.300 -0.013 0.000 1.133 207 R CA 2.697 58.773 56.100 -0.040 0.000 0.935 207 R CB -1.533 28.780 30.300 0.021 0.000 0.853 207 R HN 0.511 nan 8.270 nan 0.000 0.433 208 Y N -1.856 118.431 120.300 -0.022 0.000 2.220 208 Y HA 0.060 4.609 4.550 -0.000 0.000 0.291 208 Y C 2.025 177.892 175.900 -0.055 0.000 1.129 208 Y CA 0.732 58.814 58.100 -0.030 0.000 1.161 208 Y CB -1.049 37.390 38.460 -0.035 0.000 0.997 208 Y HN -0.146 nan 8.280 nan 0.000 0.522 209 V N 1.882 121.559 119.914 -0.395 0.000 2.282 209 V HA -0.346 3.774 4.120 -0.001 0.000 0.249 209 V C 2.562 178.536 176.094 -0.199 0.000 1.057 209 V CA 2.344 64.473 62.300 -0.285 0.000 1.032 209 V CB -0.801 30.860 31.823 -0.270 0.000 0.645 209 V HN 0.533 nan 8.190 nan 0.000 0.447 210 L N -0.691 120.466 121.223 -0.111 0.000 2.023 210 L HA -0.125 4.214 4.340 -0.001 0.000 0.205 210 L C 2.424 179.281 176.870 -0.021 0.000 1.073 210 L CA 1.643 56.481 54.840 -0.003 0.000 0.745 210 L CB -0.992 40.990 42.059 -0.128 0.000 0.900 210 L HN 0.274 nan 8.230 nan 0.000 0.435 211 D N 0.400 120.783 120.400 -0.029 0.000 2.116 211 D HA -0.196 4.444 4.640 -0.001 0.000 0.193 211 D C 2.036 178.313 176.300 -0.038 0.000 0.998 211 D CA 1.291 55.287 54.000 -0.007 0.000 0.836 211 D CB -0.256 40.559 40.800 0.025 0.000 0.951 211 D HN 0.281 nan 8.370 nan 0.000 0.449 212 N N -0.271 118.396 118.700 -0.057 0.000 2.250 212 N HA 0.001 4.741 4.740 -0.001 0.000 0.181 212 N C 2.001 177.387 175.510 -0.207 0.000 1.017 212 N CA 0.417 53.417 53.050 -0.085 0.000 0.866 212 N CB 0.170 38.649 38.487 -0.014 0.000 0.985 212 N HN 0.222 nan 8.380 nan 0.000 0.429 213 L N -1.056 119.927 121.223 -0.400 0.000 2.253 213 L HA 0.103 4.442 4.340 -0.001 0.000 0.205 213 L C 1.121 177.513 176.870 -0.796 0.000 1.078 213 L CA 0.760 55.133 54.840 -0.778 0.000 0.805 213 L CB 0.014 41.234 42.059 -1.398 0.000 0.963 213 L HN 0.019 nan 8.230 nan 0.000 0.459 214 F N -1.131 118.756 119.950 -0.105 0.000 2.699 214 F HA 0.508 5.034 4.527 -0.000 0.000 0.295 214 F C 0.927 176.686 175.800 -0.069 0.000 1.052 214 F CA 0.019 57.958 58.000 -0.103 0.000 1.239 214 F CB 0.406 39.328 39.000 -0.130 0.000 1.018 214 F HN -0.075 nan 8.300 nan 0.000 0.627 215 G N 0.252 109.104 108.800 0.086 0.000 2.352 215 G HA2 0.046 4.005 3.960 -0.001 0.000 0.303 215 G HA3 0.046 4.005 3.960 -0.001 0.000 0.303 215 G C -1.595 173.329 174.900 0.041 0.000 1.593 215 G CA -1.258 43.872 45.100 0.050 0.000 0.963 215 G HN -0.122 nan 8.290 nan 0.000 0.685 216 N N -0.465 118.253 118.700 0.030 0.000 2.458 216 N HA 0.223 4.963 4.740 -0.001 0.000 0.258 216 N C 0.684 176.225 175.510 0.051 0.000 1.219 216 N CA -0.023 53.047 53.050 0.033 0.000 0.902 216 N CB 1.547 40.052 38.487 0.030 0.000 1.076 216 N HN 0.410 nan 8.380 nan 0.000 0.455 217 V N 3.001 122.948 119.914 0.056 0.000 2.555 217 V HA 0.025 4.144 4.120 -0.001 0.000 0.286 217 V C 1.350 177.514 176.094 0.117 0.000 1.044 217 V CA 0.228 62.587 62.300 0.099 0.000 1.026 217 V CB 1.095 32.976 31.823 0.097 0.000 0.981 217 V HN 0.644 nan 8.190 nan 0.000 0.480 218 Q N 2.433 122.321 119.800 0.146 0.000 2.511 218 Q HA 0.211 4.551 4.340 -0.001 0.000 0.236 218 Q C 0.347 176.439 176.000 0.153 0.000 0.893 218 Q CA 0.559 56.433 55.803 0.118 0.000 0.947 218 Q CB 1.118 29.903 28.738 0.078 0.000 1.110 218 Q HN 0.876 nan 8.270 nan 0.000 0.591 219 S N -0.745 115.098 115.700 0.238 0.000 2.550 219 S HA 0.614 5.083 4.470 -0.001 0.000 0.270 219 S C -1.277 173.618 174.600 0.491 0.000 1.145 219 S CA -0.887 57.510 58.200 0.328 0.000 0.852 219 S CB 2.245 65.640 63.200 0.325 0.000 1.119 219 S HN 0.017 nan 8.310 nan 0.000 0.465 220 V N 1.267 121.360 119.914 0.298 0.000 2.789 220 V HA 0.863 4.983 4.120 -0.001 0.000 0.311 220 V C -1.217 174.526 176.094 -0.584 0.000 1.073 220 V CA -0.626 61.573 62.300 -0.168 0.000 0.921 220 V CB 1.829 33.512 31.823 -0.232 0.000 1.009 220 V HN 1.083 nan 8.190 nan 0.000 0.426 221 V N 6.996 126.069 119.914 -1.403 0.000 2.417 221 V HA 0.774 4.894 4.120 -0.001 0.000 0.291 221 V C -0.526 175.116 176.094 -0.754 0.000 1.024 221 V CA -0.053 61.523 62.300 -1.206 0.000 0.861 221 V CB 1.286 32.002 31.823 -1.844 0.000 0.985 221 V HN 1.237 nan 8.190 nan 0.000 0.436 222 C N 7.656 126.685 119.300 -0.450 0.000 2.782 222 C HA 0.698 5.158 4.460 -0.001 0.000 0.328 222 C C -0.973 173.865 174.990 -0.254 0.000 1.145 222 C CA -0.730 58.085 59.018 -0.338 0.000 1.358 222 C CB 0.690 28.253 27.740 -0.296 0.000 1.841 222 C HN 1.006 nan 8.230 nan 0.000 0.477 223 I N 4.432 124.815 120.570 -0.311 0.000 2.603 223 I HA 0.805 4.975 4.170 -0.001 0.000 0.300 223 I C 0.388 175.988 176.117 -0.861 0.000 1.017 223 I CA 0.130 61.102 61.300 -0.547 0.000 1.098 223 I CB 2.018 39.854 38.000 -0.273 0.000 1.279 223 I HN 0.909 nan 8.210 nan 0.000 0.437 224 G N 3.749 111.377 108.800 -1.953 0.000 2.735 224 G HA2 0.532 4.492 3.960 -0.001 0.000 0.301 224 G HA3 0.532 4.492 3.960 -0.001 0.000 0.301 224 G C -1.760 172.660 174.900 -0.800 0.000 1.279 224 G CA -0.630 43.519 45.100 -1.585 0.000 1.019 224 G HN 0.678 nan 8.290 nan 0.000 0.497 225 N N -2.221 116.292 118.700 -0.311 0.000 2.935 225 N HA 0.387 5.126 4.740 -0.001 0.000 0.248 225 N C -1.428 174.129 175.510 0.078 0.000 1.276 225 N CA -0.495 52.578 53.050 0.039 0.000 0.906 225 N CB 1.846 40.365 38.487 0.054 0.000 1.564 225 N HN 0.343 nan 8.380 nan 0.000 0.500 226 T N 1.771 116.406 114.554 0.135 0.000 2.910 226 T HA 0.203 4.553 4.350 -0.001 0.000 0.323 226 T C 0.018 174.753 174.700 0.059 0.000 1.091 226 T CA -0.351 61.811 62.100 0.103 0.000 0.960 226 T CB 0.535 69.477 68.868 0.124 0.000 1.024 226 T HN 0.412 nan 8.240 nan 0.000 0.509 227 D N 1.879 122.294 120.400 0.025 0.000 2.117 227 D HA -0.024 4.616 4.640 -0.001 0.000 0.198 227 D C 0.661 176.960 176.300 -0.002 0.000 0.982 227 D CA 1.011 55.016 54.000 0.008 0.000 0.828 227 D CB 0.254 41.034 40.800 -0.033 0.000 0.967 227 D HN 0.383 nan 8.370 nan 0.000 0.464 228 I N 2.002 122.551 120.570 -0.036 0.000 2.328 228 I HA 0.138 4.307 4.170 -0.001 0.000 0.287 228 I C -1.645 174.434 176.117 -0.063 0.000 1.012 228 I CA -2.098 59.168 61.300 -0.056 0.000 1.195 228 I CB 1.317 39.240 38.000 -0.128 0.000 1.350 228 I HN -0.200 nan 8.210 nan 0.000 0.464 229 P HA 0.029 nan 4.420 nan 0.000 0.219 229 P C -0.066 177.144 177.300 -0.149 0.000 1.154 229 P CA 0.960 64.022 63.100 -0.063 0.000 0.826 229 P CB 0.623 32.302 31.700 -0.035 0.000 0.795 230 E N -0.104 119.975 120.200 -0.201 0.000 2.171 230 E HA 0.505 4.855 4.350 -0.001 0.000 0.271 230 E C -0.103 176.220 176.600 -0.463 0.000 0.916 230 E CA -0.606 55.574 56.400 -0.368 0.000 0.774 230 E CB 2.042 31.538 29.700 -0.339 0.000 1.128 230 E HN -0.015 nan 8.360 nan 0.000 0.403 231 R N 1.416 121.441 120.500 -0.792 0.000 2.950 231 R HA 0.591 4.931 4.340 -0.001 0.000 0.253 231 R C -1.054 174.790 176.300 -0.759 0.000 1.168 231 R CA -0.901 54.803 56.100 -0.661 0.000 1.014 231 R CB 1.225 31.165 30.300 -0.599 0.000 1.228 231 R HN 0.328 nan 8.270 nan 0.000 0.487 232 F N 0.494 120.359 119.950 -0.141 0.000 2.493 232 F HA 0.257 4.784 4.527 -0.001 0.000 0.329 232 F C 0.234 176.204 175.800 0.284 0.000 1.126 232 F CA -0.912 57.134 58.000 0.077 0.000 0.937 232 F CB 1.327 40.308 39.000 -0.032 0.000 1.146 232 F HN 0.239 nan 8.300 nan 0.000 0.442 233 D N 1.811 122.491 120.400 0.467 0.000 2.383 233 D HA -0.072 4.568 4.640 -0.001 0.000 0.233 233 D C 1.167 177.569 176.300 0.170 0.000 1.233 233 D CA 0.553 54.685 54.000 0.219 0.000 0.881 233 D CB 0.643 41.512 40.800 0.115 0.000 1.212 233 D HN 0.609 nan 8.370 nan 0.000 0.467 234 E N 0.037 120.297 120.200 0.100 0.000 2.273 234 E HA -0.208 4.142 4.350 -0.001 0.000 0.198 234 E C 0.978 177.620 176.600 0.070 0.000 1.002 234 E CA 1.158 57.605 56.400 0.078 0.000 0.828 234 E CB 0.009 29.745 29.700 0.060 0.000 0.747 234 E HN 0.288 nan 8.360 nan 0.000 0.491 235 Q N -1.053 118.792 119.800 0.075 0.000 2.204 235 Q HA 0.293 4.633 4.340 -0.001 0.000 0.209 235 Q C 0.551 176.604 176.000 0.089 0.000 0.861 235 Q CA 0.444 56.287 55.803 0.067 0.000 0.971 235 Q CB 0.995 29.764 28.738 0.052 0.000 1.095 235 Q HN 0.257 nan 8.270 nan 0.000 0.486 236 G N 0.857 109.732 108.800 0.125 0.000 2.198 236 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.260 236 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.260 236 G C -0.090 174.965 174.900 0.259 0.000 1.025 236 G CA 0.212 45.407 45.100 0.158 0.000 0.769 236 G HN 0.226 nan 8.290 nan 0.000 0.507 237 K N 0.225 120.772 120.400 0.245 0.000 2.293 237 K HA 0.394 4.714 4.320 -0.001 0.000 0.267 237 K C 0.671 177.372 176.600 0.168 0.000 1.010 237 K CA -0.751 55.648 56.287 0.186 0.000 0.875 237 K CB 0.841 33.412 32.500 0.118 0.000 1.106 237 K HN 0.238 nan 8.250 nan 0.000 0.450 238 K N 3.525 123.914 120.400 -0.018 0.000 2.414 238 K HA -0.002 4.318 4.320 -0.001 0.000 0.272 238 K C -1.002 175.547 176.600 -0.085 0.000 0.993 238 K CA 0.265 56.312 56.287 -0.400 0.000 0.964 238 K CB 0.358 32.523 32.500 -0.558 0.000 0.925 238 K HN 0.535 nan 8.250 nan 0.000 0.487 239 Y N -0.211 119.926 120.300 -0.271 0.000 2.609 239 Y HA 0.395 4.945 4.550 -0.001 0.000 0.336 239 Y C -1.377 174.447 175.900 -0.126 0.000 1.129 239 Y CA -1.576 56.442 58.100 -0.138 0.000 1.040 239 Y CB 0.804 39.225 38.460 -0.065 0.000 1.310 239 Y HN 0.388 nan 8.280 nan 0.000 0.460 240 K N 2.133 122.547 120.400 0.024 0.000 2.312 240 K HA 0.696 5.016 4.320 -0.001 0.000 0.287 240 K C -0.668 175.966 176.600 0.057 0.000 1.062 240 K CA -0.054 56.212 56.287 -0.037 0.000 0.934 240 K CB 0.816 33.327 32.500 0.018 0.000 1.027 240 K HN 0.895 nan 8.250 nan 0.000 0.478 241 A N 3.896 126.682 122.820 -0.058 0.000 2.302 241 A HA 0.233 4.552 4.320 -0.001 0.000 0.295 241 A C 0.731 178.385 177.584 0.117 0.000 1.235 241 A CA -0.139 51.948 52.037 0.082 0.000 0.876 241 A CB -0.111 18.886 19.000 -0.004 0.000 1.133 241 A HN 0.943 nan 8.150 nan 0.000 0.533 242 T N -0.150 114.503 114.554 0.166 0.000 3.014 242 T HA 0.460 4.810 4.350 -0.001 0.000 0.250 242 T C 0.848 175.638 174.700 0.150 0.000 1.060 242 T CA 0.614 62.793 62.100 0.132 0.000 1.040 242 T CB -0.042 68.896 68.868 0.116 0.000 0.971 242 T HN 0.978 nan 8.240 nan 0.000 0.497 243 A N 3.120 126.049 122.820 0.181 0.000 2.302 243 A HA 0.500 4.819 4.320 -0.001 0.000 0.285 243 A C 0.207 177.914 177.584 0.204 0.000 1.105 243 A CA -0.785 51.361 52.037 0.181 0.000 0.816 243 A CB 0.207 19.296 19.000 0.149 0.000 1.067 243 A HN 0.576 nan 8.150 nan 0.000 0.489 244 D N 0.937 121.468 120.400 0.219 0.000 2.389 244 D HA 0.086 4.726 4.640 -0.001 0.000 0.247 244 D C -0.767 175.606 176.300 0.121 0.000 1.128 244 D CA 0.102 54.207 54.000 0.174 0.000 0.884 244 D CB 1.196 42.084 40.800 0.147 0.000 1.194 244 D HN 0.525 nan 8.370 nan 0.000 0.441 245 D N -0.220 120.233 120.400 0.088 0.000 2.474 245 D HA 0.061 4.701 4.640 -0.001 0.000 0.213 245 D C -0.343 175.891 176.300 -0.110 0.000 1.120 245 D CA -0.275 53.801 54.000 0.127 0.000 0.836 245 D CB 0.411 41.349 40.800 0.229 0.000 1.019 245 D HN 0.194 nan 8.370 nan 0.000 0.507 246 S N -0.659 114.929 115.700 -0.186 0.000 2.546 246 S HA 0.845 5.315 4.470 -0.001 0.000 0.274 246 S C -1.175 173.146 174.600 -0.465 0.000 1.121 246 S CA -0.594 57.396 58.200 -0.351 0.000 0.887 246 S CB 2.216 65.258 63.200 -0.264 0.000 1.094 246 S HN 0.471 nan 8.310 nan 0.000 0.474 247 A N 1.517 123.908 122.820 -0.716 0.000 2.594 247 A HA 0.796 5.115 4.320 -0.001 0.000 0.295 247 A C -2.356 174.715 177.584 -0.855 0.000 1.071 247 A CA -0.756 50.885 52.037 -0.660 0.000 0.685 247 A CB 1.082 19.835 19.000 -0.412 0.000 1.285 247 A HN 0.779 nan 8.150 nan 0.000 0.405 248 Y N 0.373 120.526 120.300 -0.245 0.000 2.488 248 Y HA 0.615 5.165 4.550 -0.000 0.000 0.330 248 Y C 0.383 176.126 175.900 -0.262 0.000 1.013 248 Y CA -0.393 57.602 58.100 -0.175 0.000 1.304 248 Y CB 1.788 40.215 38.460 -0.056 0.000 1.098 248 Y HN 0.934 nan 8.280 nan 0.000 0.498 249 A N 1.977 124.585 122.820 -0.353 0.000 2.330 249 A HA 0.883 5.203 4.320 -0.001 0.000 0.327 249 A C -0.390 176.782 177.584 -0.687 0.000 1.155 249 A CA -0.636 51.077 52.037 -0.541 0.000 0.803 249 A CB 0.898 19.587 19.000 -0.519 0.000 1.208 249 A HN 0.526 nan 8.150 nan 0.000 0.477 250 T N 1.816 115.968 114.554 -0.669 0.000 2.829 250 T HA 0.680 5.029 4.350 -0.001 0.000 0.280 250 T C -1.032 173.395 174.700 -0.455 0.000 0.999 250 T CA 0.041 61.945 62.100 -0.326 0.000 0.983 250 T CB 0.555 69.457 68.868 0.056 0.000 0.968 250 T HN 0.361 nan 8.240 nan 0.000 0.446 251 F N 1.211 121.287 119.950 0.209 0.000 2.551 251 F HA 0.498 5.025 4.527 -0.000 0.000 0.316 251 F C 0.371 176.336 175.800 0.275 0.000 1.089 251 F CA -1.025 57.131 58.000 0.259 0.000 0.915 251 F CB 2.196 41.258 39.000 0.103 0.000 1.186 251 F HN 0.340 nan 8.300 nan 0.000 0.456 252 Q N 3.339 123.412 119.800 0.455 0.000 2.347 252 Q HA 0.613 4.952 4.340 -0.001 0.000 0.262 252 Q C -1.318 174.784 176.000 0.170 0.000 0.980 252 Q CA -0.437 55.478 55.803 0.187 0.000 0.867 252 Q CB 1.216 29.953 28.738 -0.002 0.000 1.242 252 Q HN 0.606 nan 8.270 nan 0.000 0.453 253 L N 2.025 123.317 121.223 0.114 0.000 2.344 253 L HA 0.448 4.788 4.340 -0.001 0.000 0.272 253 L C 0.232 177.132 176.870 0.051 0.000 1.035 253 L CA -0.861 54.031 54.840 0.086 0.000 0.807 253 L CB 1.442 43.548 42.059 0.078 0.000 1.237 253 L HN 0.598 nan 8.230 nan 0.000 0.442 254 E N 0.909 121.136 120.200 0.045 0.000 2.465 254 E HA 0.157 4.507 4.350 -0.001 0.000 0.260 254 E C 0.888 177.502 176.600 0.022 0.000 0.980 254 E CA 1.119 57.535 56.400 0.028 0.000 0.927 254 E CB 0.338 30.054 29.700 0.027 0.000 0.934 254 E HN 0.803 nan 8.360 nan 0.000 0.459 255 G N 2.738 111.545 108.800 0.011 0.000 2.179 255 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.220 255 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.220 255 G C 0.733 175.632 174.900 -0.001 0.000 0.990 255 G CA 0.019 45.122 45.100 0.006 0.000 0.646 255 G HN 1.479 nan 8.290 nan 0.000 0.517 256 G N -1.731 107.068 108.800 -0.002 0.000 2.204 256 G HA2 0.105 4.065 3.960 -0.001 0.000 0.244 256 G HA3 0.105 4.065 3.960 -0.001 0.000 0.244 256 G C 0.121 175.013 174.900 -0.012 0.000 1.062 256 G CA 0.494 45.586 45.100 -0.013 0.000 0.798 256 G HN 1.600 nan 8.290 nan 0.000 0.496 257 V N 0.790 120.704 119.914 -0.001 0.000 2.483 257 V HA 0.637 4.756 4.120 -0.001 0.000 0.295 257 V C 0.719 176.819 176.094 0.010 0.000 1.035 257 V CA -0.782 61.511 62.300 -0.011 0.000 0.896 257 V CB 1.856 33.667 31.823 -0.021 0.000 0.986 257 V HN 0.322 nan 8.190 nan 0.000 0.447 258 I N 3.858 124.432 120.570 0.006 0.000 2.336 258 I HA 0.657 4.827 4.170 -0.001 0.000 0.292 258 I C 0.367 176.513 176.117 0.048 0.000 0.991 258 I CA -0.178 61.160 61.300 0.063 0.000 1.227 258 I CB 1.601 39.641 38.000 0.066 0.000 1.366 258 I HN 0.703 nan 8.210 nan 0.000 0.466 259 A N 5.358 128.256 122.820 0.130 0.000 2.303 259 A HA 0.568 4.888 4.320 -0.001 0.000 0.320 259 A C -1.126 176.605 177.584 0.244 0.000 1.192 259 A CA -0.401 51.692 52.037 0.094 0.000 0.821 259 A CB 0.509 19.518 19.000 0.015 0.000 1.188 259 A HN 0.792 nan 8.150 nan 0.000 0.492 260 H N 1.877 120.985 119.070 0.064 0.000 2.466 260 H HA 0.709 5.265 4.556 -0.001 0.000 0.338 260 H C -1.147 174.164 175.328 -0.028 0.000 1.091 260 H CA -0.560 55.514 56.048 0.043 0.000 1.207 260 H CB 0.837 30.596 29.762 -0.004 0.000 1.466 260 H HN 0.519 nan 8.280 nan 0.000 0.493 261 I N 5.067 125.150 120.570 -0.812 0.000 2.418 261 I HA 0.235 4.405 4.170 -0.001 0.000 0.287 261 I C -0.406 175.327 176.117 -0.640 0.000 1.008 261 I CA -0.960 59.967 61.300 -0.622 0.000 1.104 261 I CB 1.464 39.120 38.000 -0.573 0.000 1.264 261 I HN 0.632 nan 8.210 nan 0.000 0.438 265 W N 3.007 124.137 121.300 -0.283 0.000 3.388 265 W HA 0.366 5.025 4.660 -0.001 0.000 0.324 265 W C 0.729 176.892 176.519 -0.592 0.000 1.250 265 W CA -0.411 56.681 57.345 -0.421 0.000 1.809 265 W CB 0.638 29.970 29.460 -0.214 0.000 1.083 265 W HN 0.443 nan 8.180 nan 0.000 0.685 266 V N 0.048 119.730 119.914 -0.387 0.000 2.947 266 V HA 0.168 4.287 4.120 -0.001 0.000 0.381 266 V C 0.072 175.983 176.094 -0.305 0.000 1.376 266 V CA -0.187 61.661 62.300 -0.753 0.000 1.292 266 V CB 0.282 31.745 31.823 -0.600 0.000 1.295 266 V HN -0.099 nan 8.190 nan 0.000 0.617 267 T N 0.808 115.339 114.554 -0.038 0.000 2.916 267 T HA 0.651 5.000 4.350 -0.001 0.000 0.292 267 T C -0.570 174.310 174.700 0.301 0.000 1.055 267 T CA -0.451 61.752 62.100 0.173 0.000 1.009 267 T CB 2.152 71.045 68.868 0.041 0.000 1.118 267 T HN 0.399 nan 8.240 nan 0.000 0.497 268 R N 1.680 122.338 120.500 0.264 0.000 2.604 268 R HA 0.636 4.976 4.340 -0.001 0.000 0.287 268 R C -1.027 175.362 176.300 0.149 0.000 0.970 268 R CA -0.789 55.433 56.100 0.204 0.000 0.946 268 R CB 1.880 32.243 30.300 0.105 0.000 1.127 268 R HN 0.399 nan 8.270 nan 0.000 0.473 269 V N 4.075 124.075 119.914 0.143 0.000 2.320 269 V HA 0.100 4.219 4.120 -0.001 0.000 0.265 269 V C -0.937 175.261 176.094 0.174 0.000 1.048 269 V CA -0.264 62.115 62.300 0.131 0.000 0.865 269 V CB 0.370 32.252 31.823 0.099 0.000 1.043 269 V HN 0.599 nan 8.190 nan 0.000 0.474 270 Y N 7.779 128.088 120.300 0.016 0.000 2.915 270 Y HA 0.626 5.176 4.550 -0.000 0.000 0.350 270 Y C 0.390 176.293 175.900 0.006 0.000 1.061 270 Y CA -0.938 57.167 58.100 0.008 0.000 1.179 270 Y CB 0.033 38.506 38.460 0.022 0.000 1.180 270 Y HN 0.777 nan 8.280 nan 0.000 0.605 271 R N 0.081 120.515 120.500 -0.111 0.000 2.789 271 R HA 0.283 4.623 4.340 -0.001 0.000 0.279 271 R C -0.628 175.594 176.300 -0.129 0.000 1.010 271 R CA -0.810 55.216 56.100 -0.124 0.000 0.855 271 R CB 0.307 30.580 30.300 -0.044 0.000 1.312 271 R HN 0.060 nan 8.270 nan 0.000 0.479 272 D N -0.338 119.998 120.400 -0.107 0.000 2.218 272 D HA 0.039 4.678 4.640 -0.001 0.000 0.204 272 D C -0.335 175.934 176.300 -0.053 0.000 0.976 272 D CA 1.711 55.657 54.000 -0.090 0.000 0.853 272 D CB 0.094 40.854 40.800 -0.066 0.000 0.939 272 D HN 0.328 nan 8.370 nan 0.000 0.481 273 D N -2.408 117.973 120.400 -0.033 0.000 2.738 273 D HA 0.126 4.766 4.640 -0.001 0.000 0.308 273 D C 0.691 176.993 176.300 0.004 0.000 1.311 273 D CA -0.565 53.430 54.000 -0.008 0.000 0.799 273 D CB 0.474 41.285 40.800 0.017 0.000 1.332 273 D HN -0.222 nan 8.370 nan 0.000 0.441 274 L N 0.071 121.306 121.223 0.020 0.000 2.291 274 L HA 0.125 4.464 4.340 -0.001 0.000 0.214 274 L C 1.123 178.023 176.870 0.049 0.000 1.120 274 L CA 0.745 55.603 54.840 0.029 0.000 0.799 274 L CB 0.067 42.138 42.059 0.021 0.000 0.925 274 L HN 0.018 nan 8.230 nan 0.000 0.446 275 V N -1.296 118.692 119.914 0.125 0.000 2.962 275 V HA 0.548 4.667 4.120 -0.001 0.000 0.313 275 V C -0.964 175.152 176.094 0.036 0.000 1.099 275 V CA -0.198 62.203 62.300 0.168 0.000 0.971 275 V CB 2.568 34.639 31.823 0.414 0.000 1.028 275 V HN -0.018 nan 8.190 nan 0.000 0.430 276 T N 5.697 120.158 114.554 -0.154 0.000 3.032 276 T HA 0.608 4.958 4.350 -0.001 0.000 0.312 276 T C -1.602 172.854 174.700 -0.407 0.000 1.078 276 T CA -0.057 61.955 62.100 -0.147 0.000 1.028 276 T CB 0.876 69.676 68.868 -0.113 0.000 1.091 276 T HN 0.397 nan 8.240 nan 0.000 0.457 277 F N 2.529 122.483 119.950 0.006 0.000 2.499 277 F HA 0.471 4.997 4.527 -0.001 0.000 0.333 277 F C 0.371 176.184 175.800 0.021 0.000 1.138 277 F CA -0.843 57.151 58.000 -0.010 0.000 0.945 277 F CB 1.979 41.000 39.000 0.036 0.000 1.181 277 F HN 0.360 nan 8.300 nan 0.000 0.435 278 Q N 3.165 123.036 119.800 0.119 0.000 2.274 278 Q HA 0.616 4.956 4.340 -0.001 0.000 0.256 278 Q C -1.486 174.574 176.000 0.100 0.000 0.927 278 Q CA -0.500 55.375 55.803 0.120 0.000 0.939 278 Q CB 1.380 30.153 28.738 0.058 0.000 1.201 278 Q HN 0.544 nan 8.270 nan 0.000 0.426 279 V N 4.726 124.735 119.914 0.158 0.000 2.384 279 V HA 0.319 4.439 4.120 -0.001 0.000 0.287 279 V C -0.605 175.557 176.094 0.113 0.000 1.020 279 V CA -0.784 61.510 62.300 -0.011 0.000 0.850 279 V CB 1.712 33.428 31.823 -0.178 0.000 0.987 279 V HN 0.824 nan 8.190 nan 0.000 0.436 280 D N 3.703 124.118 120.400 0.026 0.000 2.217 280 D HA 0.615 5.254 4.640 -0.001 0.000 0.243 280 D C 0.176 176.508 176.300 0.053 0.000 1.054 280 D CA 0.148 54.214 54.000 0.110 0.000 0.838 280 D CB 2.713 43.561 40.800 0.080 0.000 1.162 280 D HN 0.726 nan 8.370 nan 0.000 0.472 281 G N 0.160 109.059 108.800 0.165 0.000 2.816 281 G HA2 0.280 4.240 3.960 -0.001 0.000 0.288 281 G HA3 0.280 4.240 3.960 -0.001 0.000 0.288 281 G C 0.766 175.720 174.900 0.091 0.000 1.334 281 G CA -0.276 44.902 45.100 0.130 0.000 0.978 281 G HN 0.272 nan 8.290 nan 0.000 0.493 282 T N -0.565 114.019 114.554 0.051 0.000 2.833 282 T HA -0.059 4.291 4.350 -0.001 0.000 0.269 282 T C 1.411 176.229 174.700 0.197 0.000 1.054 282 T CA 1.451 63.598 62.100 0.078 0.000 1.135 282 T CB -0.281 68.593 68.868 0.010 0.000 0.869 282 T HN 0.563 nan 8.240 nan 0.000 0.466 283 H N -1.033 117.972 119.070 -0.109 0.000 2.755 283 H HA 0.460 5.016 4.556 -0.001 0.000 0.273 283 H C 0.860 175.934 175.328 -0.424 0.000 1.055 283 H CA -0.460 55.451 56.048 -0.229 0.000 1.191 283 H CB 0.989 30.606 29.762 -0.242 0.000 1.536 283 H HN 0.370 nan 8.280 nan 0.000 0.529 284 G N -0.099 108.543 108.800 -0.263 0.000 2.355 284 G HA2 0.278 4.238 3.960 -0.001 0.000 0.296 284 G HA3 0.278 4.238 3.960 -0.001 0.000 0.296 284 G C -1.401 173.572 174.900 0.122 0.000 1.507 284 G CA -0.654 44.212 45.100 -0.390 0.000 0.823 284 G HN 0.054 nan 8.290 nan 0.000 0.569 285 S N -1.222 114.678 115.700 0.332 0.000 2.638 285 S HA 0.956 5.426 4.470 -0.001 0.000 0.302 285 S C 0.014 175.120 174.600 0.844 0.000 1.096 285 S CA -0.014 58.557 58.200 0.618 0.000 0.953 285 S CB 1.822 65.310 63.200 0.481 0.000 1.107 285 S HN 1.799 nan 8.310 nan 0.000 0.503 286 A N 0.809 124.155 122.820 0.877 0.000 2.454 286 A HA 0.837 5.156 4.320 -0.001 0.000 0.302 286 A C -1.510 176.369 177.584 0.491 0.000 1.079 286 A CA -0.663 51.782 52.037 0.680 0.000 0.731 286 A CB 1.359 20.702 19.000 0.573 0.000 1.299 286 A HN 0.598 nan 8.150 nan 0.000 0.413 287 V N 1.172 121.272 119.914 0.310 0.000 2.409 287 V HA 0.672 4.792 4.120 -0.001 0.000 0.290 287 V C 0.191 176.362 176.094 0.128 0.000 1.017 287 V CA -0.125 62.248 62.300 0.122 0.000 0.841 287 V CB 1.149 32.887 31.823 -0.141 0.000 1.003 287 V HN 1.357 nan 8.190 nan 0.000 0.426 288 A N 3.611 126.535 122.820 0.173 0.000 2.340 288 A HA 0.994 5.313 4.320 -0.001 0.000 0.331 288 A C 0.363 178.038 177.584 0.151 0.000 1.140 288 A CA 0.136 52.271 52.037 0.164 0.000 0.801 288 A CB 1.778 20.901 19.000 0.205 0.000 1.234 288 A HN 0.959 nan 8.150 nan 0.000 0.469 289 G N -0.521 108.343 108.800 0.107 0.000 3.135 289 G HA2 0.466 4.426 3.960 -0.001 0.000 0.159 289 G HA3 0.466 4.426 3.960 -0.001 0.000 0.159 289 G C 0.381 175.346 174.900 0.108 0.000 1.244 289 G CA -0.403 44.757 45.100 0.099 0.000 0.965 289 G HN 0.475 nan 8.290 nan 0.000 0.599 290 L N -0.105 121.169 121.223 0.085 0.000 2.044 290 L HA 0.072 4.412 4.340 -0.001 0.000 0.205 290 L C 2.863 179.740 176.870 0.011 0.000 1.075 290 L CA 2.151 57.035 54.840 0.074 0.000 0.747 290 L CB -0.219 41.885 42.059 0.075 0.000 0.903 290 L HN 0.416 nan 8.230 nan 0.000 0.435 291 S N -2.592 113.103 115.700 -0.008 0.000 2.527 291 S HA 0.181 4.650 4.470 -0.001 0.000 0.227 291 S C 0.229 174.789 174.600 -0.067 0.000 1.059 291 S CA -0.262 57.902 58.200 -0.061 0.000 0.919 291 S CB 0.495 63.677 63.200 -0.030 0.000 0.805 291 S HN 0.245 nan 8.310 nan 0.000 0.500 292 D N -0.412 119.978 120.400 -0.015 0.000 2.423 292 D HA 0.653 5.293 4.640 -0.001 0.000 0.235 292 D C -0.872 175.448 176.300 0.034 0.000 1.011 292 D CA -0.324 53.679 54.000 0.005 0.000 0.963 292 D CB 2.328 43.136 40.800 0.013 0.000 1.349 292 D HN 0.158 nan 8.370 nan 0.000 0.508 296 Q N 3.864 123.709 119.800 0.076 0.000 2.616 296 Q HA 0.741 5.081 4.340 -0.001 0.000 0.250 296 Q C -0.568 175.414 176.000 -0.030 0.000 0.991 296 Q CA -0.525 55.092 55.803 -0.310 0.000 0.707 296 Q CB 1.803 29.758 28.738 -1.304 0.000 1.247 296 Q HN 1.053 nan 8.270 nan 0.000 0.491 297 A N 2.599 125.475 122.820 0.093 0.000 2.507 297 A HA 0.021 4.341 4.320 -0.001 0.000 0.235 297 A C 1.055 178.551 177.584 -0.146 0.000 1.070 297 A CA 0.283 52.283 52.037 -0.063 0.000 0.768 297 A CB 0.306 19.316 19.000 0.017 0.000 1.011 297 A HN 1.036 nan 8.150 nan 0.000 0.502 298 R N 0.393 120.779 120.500 -0.189 0.000 2.189 298 R HA -0.158 4.182 4.340 -0.001 0.000 0.223 298 R C 1.057 177.286 176.300 -0.118 0.000 1.092 298 R CA 1.804 57.816 56.100 -0.148 0.000 0.989 298 R CB -0.286 29.927 30.300 -0.146 0.000 0.876 298 R HN 0.715 nan 8.270 nan 0.000 0.457 299 Q N 0.534 120.266 119.800 -0.114 0.000 2.436 299 Q HA 0.126 4.466 4.340 -0.001 0.000 0.209 299 Q C 1.598 177.561 176.000 -0.062 0.000 0.965 299 Q CA 1.366 57.120 55.803 -0.082 0.000 0.910 299 Q CB 0.402 29.096 28.738 -0.074 0.000 0.980 299 Q HN 0.566 nan 8.270 nan 0.000 0.491 300 A N -0.499 122.276 122.820 -0.075 0.000 2.303 300 A HA 0.123 4.443 4.320 -0.001 0.000 0.217 300 A C 0.640 178.174 177.584 -0.084 0.000 1.205 300 A CA -0.150 51.846 52.037 -0.069 0.000 0.875 300 A CB 0.179 19.132 19.000 -0.079 0.000 0.910 300 A HN 0.149 nan 8.150 nan 0.000 0.501 301 T N 4.094 118.589 114.554 -0.098 0.000 2.831 301 T HA 0.314 4.663 4.350 -0.001 0.000 0.291 301 T C -1.767 172.925 174.700 -0.014 0.000 0.981 301 T CA -0.353 61.703 62.100 -0.073 0.000 1.174 301 T CB 0.605 69.431 68.868 -0.070 0.000 0.929 301 T HN 0.398 nan 8.240 nan 0.000 0.532 302 P HA 0.326 nan 4.420 nan 0.000 0.293 302 P C -0.487 176.833 177.300 0.033 0.000 1.304 302 P CA -0.838 62.286 63.100 0.040 0.000 0.767 302 P CB 1.000 32.746 31.700 0.076 0.000 1.247 303 R N 0.807 121.310 120.500 0.006 0.000 2.587 303 R HA 0.350 4.689 4.340 -0.001 0.000 0.283 303 R C -2.129 174.176 176.300 0.010 0.000 1.472 303 R CA -1.412 54.696 56.100 0.012 0.000 1.578 303 R CB -0.022 30.278 30.300 -0.000 0.000 1.130 303 R HN 0.428 nan 8.270 nan 0.000 0.602 304 P HA 0.165 nan 4.420 nan 0.000 0.284 304 P C -0.465 176.888 177.300 0.088 0.000 1.253 304 P CA -0.493 62.654 63.100 0.078 0.000 0.800 304 P CB 1.564 33.406 31.700 0.237 0.000 0.961 305 V N -0.391 119.568 119.914 0.075 0.000 2.547 305 V HA 0.423 4.543 4.120 -0.001 0.000 0.299 305 V C -0.171 176.013 176.094 0.149 0.000 1.040 305 V CA -1.173 61.194 62.300 0.111 0.000 0.913 305 V CB 1.869 33.740 31.823 0.080 0.000 0.992 305 V HN 0.699 nan 8.190 nan 0.000 0.449 306 W N 5.749 127.062 121.300 0.021 0.000 2.489 306 W HA 0.286 4.946 4.660 -0.001 0.000 0.327 306 W C -0.183 176.348 176.519 0.021 0.000 1.436 306 W CA 0.493 57.851 57.345 0.022 0.000 1.315 306 W CB 0.309 29.775 29.460 0.011 0.000 1.373 306 W HN 1.002 nan 8.180 nan 0.000 0.557 307 N N 6.723 125.273 118.700 -0.250 0.000 2.905 307 N HA 0.119 4.858 4.740 -0.001 0.000 0.255 307 N C -2.686 172.683 175.510 -0.235 0.000 1.199 307 N CA -0.674 52.287 53.050 -0.148 0.000 0.911 307 N CB 1.118 39.587 38.487 -0.031 0.000 1.550 307 N HN 0.176 nan 8.380 nan 0.000 0.599 314 H N 0.833 119.811 119.070 -0.155 0.000 3.112 314 H HA 0.543 5.099 4.556 -0.001 0.000 0.347 314 H C -1.814 173.317 175.328 -0.328 0.000 1.188 314 H CA -0.622 55.258 56.048 -0.281 0.000 1.240 314 H CB 1.868 31.358 29.762 -0.453 0.000 1.920 314 H HN 0.484 nan 8.280 nan 0.000 0.535 315 D N 4.246 124.201 120.400 -0.741 0.000 2.473 315 D HA 0.125 4.765 4.640 -0.001 0.000 0.226 315 D C 0.084 176.201 176.300 -0.304 0.000 1.089 315 D CA -0.382 53.418 54.000 -0.333 0.000 0.883 315 D CB -0.072 40.636 40.800 -0.153 0.000 1.029 315 D HN 0.453 nan 8.370 nan 0.000 0.517 316 F N 1.675 121.644 119.950 0.031 0.000 2.216 316 F HA -0.145 4.382 4.527 -0.001 0.000 0.300 316 F C 1.365 177.273 175.800 0.180 0.000 1.085 316 F CA 0.742 58.815 58.000 0.122 0.000 1.326 316 F CB -0.339 38.683 39.000 0.036 0.000 1.027 316 F HN 0.439 nan 8.300 nan 0.000 0.497 317 Y N -0.052 120.422 120.300 0.290 0.000 2.207 317 Y HA -0.163 4.387 4.550 -0.001 0.000 0.287 317 Y C 2.566 178.622 175.900 0.261 0.000 1.156 317 Y CA 1.140 59.332 58.100 0.154 0.000 1.182 317 Y CB -1.294 37.173 38.460 0.012 0.000 0.979 317 Y HN 0.020 nan 8.280 nan 0.000 0.521 318 G N -0.823 108.171 108.800 0.322 0.000 2.679 318 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.212 318 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.212 318 G C 0.869 175.905 174.900 0.227 0.000 1.137 318 G CA 0.552 45.780 45.100 0.213 0.000 0.787 318 G HN 0.277 nan 8.290 nan 0.000 0.534 319 D N -0.269 120.328 120.400 0.328 0.000 2.324 319 D HA 0.081 4.720 4.640 -0.001 0.000 0.235 319 D C -0.341 175.999 176.300 0.067 0.000 1.095 319 D CA 0.166 54.278 54.000 0.186 0.000 0.871 319 D CB 0.194 41.100 40.800 0.177 0.000 0.906 319 D HN 0.353 nan 8.370 nan 0.000 0.522 320 W N 0.555 121.926 121.300 0.119 0.000 2.844 320 W HA 0.381 5.041 4.660 -0.001 0.000 0.340 320 W C 0.039 176.614 176.519 0.094 0.000 1.093 320 W CA -0.965 56.452 57.345 0.120 0.000 1.212 320 W CB 1.101 30.643 29.460 0.137 0.000 1.422 320 W HN -0.359 nan 8.180 nan 0.000 0.515 321 Q N 2.405 122.379 119.800 0.290 0.000 2.333 321 Q HA 0.404 4.744 4.340 -0.001 0.000 0.267 321 Q C -0.566 175.533 176.000 0.165 0.000 1.012 321 Q CA -0.949 54.962 55.803 0.180 0.000 0.824 321 Q CB 1.485 30.292 28.738 0.115 0.000 1.290 321 Q HN 0.286 nan 8.270 nan 0.000 0.449 322 K N 3.743 124.219 120.400 0.127 0.000 2.416 322 K HA 0.162 4.481 4.320 -0.001 0.000 0.283 322 K C -0.933 175.710 176.600 0.071 0.000 1.037 322 K CA -0.036 56.307 56.287 0.094 0.000 0.995 322 K CB 0.308 32.851 32.500 0.071 0.000 0.938 322 K HN 0.698 nan 8.250 nan 0.000 0.475 323 L N 7.171 128.432 121.223 0.062 0.000 2.426 323 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 323 L C -1.534 175.360 176.870 0.041 0.000 1.169 323 L CA -1.836 53.032 54.840 0.047 0.000 0.836 323 L CB 0.651 42.739 42.059 0.049 0.000 1.112 323 L HN 0.774 nan 8.230 nan 0.000 0.465 324 P HA 0.105 nan 4.420 nan 0.000 0.276 324 P C -1.324 175.987 177.300 0.018 0.000 1.261 324 P CA -0.482 62.631 63.100 0.021 0.000 0.800 324 P CB 0.777 32.482 31.700 0.008 0.000 1.066 325 D N 1.660 122.079 120.400 0.032 0.000 2.467 325 D HA 0.124 4.764 4.640 -0.001 0.000 0.220 325 D C 0.405 176.686 176.300 -0.031 0.000 1.103 325 D CA -0.209 53.825 54.000 0.055 0.000 0.886 325 D CB 0.411 41.279 40.800 0.113 0.000 1.025 325 D HN 0.183 nan 8.370 nan 0.000 0.514 326 N N 0.407 119.045 118.700 -0.103 0.000 2.356 326 N HA 0.005 4.744 4.740 -0.001 0.000 0.178 326 N C 0.633 176.039 175.510 -0.174 0.000 1.075 326 N CA 0.253 53.226 53.050 -0.128 0.000 0.889 326 N CB 0.905 39.304 38.487 -0.147 0.000 0.999 326 N HN 0.346 nan 8.380 nan 0.000 0.464 327 V N -2.376 117.369 119.914 -0.281 0.000 2.994 327 V HA 0.611 4.731 4.120 -0.001 0.000 0.318 327 V C 0.386 176.198 176.094 -0.470 0.000 1.085 327 V CA -1.014 61.067 62.300 -0.366 0.000 0.998 327 V CB 1.755 33.314 31.823 -0.439 0.000 1.063 327 V HN -0.057 nan 8.190 nan 0.000 0.447 328 S N 1.359 116.848 115.700 -0.351 0.000 2.565 328 S HA 0.621 5.091 4.470 -0.001 0.000 0.274 328 S C -1.049 173.310 174.600 -0.402 0.000 1.309 328 S CA -0.248 57.795 58.200 -0.262 0.000 1.043 328 S CB 0.061 63.194 63.200 -0.112 0.000 0.939 328 S HN 0.626 nan 8.310 nan 0.000 0.504 329 Y N 2.271 122.582 120.300 0.019 0.000 2.341 329 Y HA 0.440 4.990 4.550 -0.000 0.000 0.337 329 Y C 0.447 176.371 175.900 0.040 0.000 1.014 329 Y CA -0.886 57.236 58.100 0.036 0.000 1.111 329 Y CB 1.244 39.729 38.460 0.042 0.000 1.194 329 Y HN 0.598 nan 8.280 nan 0.000 0.462 330 D N 1.353 121.867 120.400 0.190 0.000 2.272 330 D HA 0.059 4.699 4.640 -0.001 0.000 0.247 330 D C -0.369 176.002 176.300 0.118 0.000 0.990 330 D CA -0.606 53.464 54.000 0.117 0.000 0.931 330 D CB 1.029 41.873 40.800 0.073 0.000 1.195 330 D HN 0.570 nan 8.370 nan 0.000 0.477 331 N N 0.704 119.459 118.700 0.092 0.000 2.301 331 N HA -0.082 4.658 4.740 -0.001 0.000 0.267 331 N C 0.986 176.528 175.510 0.054 0.000 1.304 331 N CA 0.526 53.639 53.050 0.106 0.000 0.851 331 N CB 0.815 39.367 38.487 0.109 0.000 1.070 331 N HN 0.551 nan 8.380 nan 0.000 0.483 332 G N 3.318 112.128 108.800 0.016 0.000 2.509 332 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 332 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 332 G C 1.055 175.627 174.900 -0.547 0.000 1.124 332 G CA 0.317 45.270 45.100 -0.244 0.000 0.776 332 G HN 0.624 nan 8.290 nan 0.000 0.547 333 F N 0.497 120.343 119.950 -0.172 0.000 2.187 333 F HA 0.193 4.719 4.527 -0.001 0.000 0.295 333 F C 2.514 178.343 175.800 0.048 0.000 1.091 333 F CA 1.147 59.093 58.000 -0.090 0.000 1.308 333 F CB -0.073 38.864 39.000 -0.106 0.000 1.030 333 F HN 0.011 nan 8.300 nan 0.000 0.487 334 K N 0.700 121.225 120.400 0.207 0.000 2.032 334 K HA -0.248 4.071 4.320 -0.001 0.000 0.209 334 K C 2.115 178.760 176.600 0.075 0.000 1.048 334 K CA 1.799 58.177 56.287 0.152 0.000 0.927 334 K CB -0.213 32.325 32.500 0.063 0.000 0.712 334 K HN 0.259 nan 8.250 nan 0.000 0.441 335 E N 0.303 120.452 120.200 -0.086 0.000 2.077 335 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 335 E C 2.146 178.654 176.600 -0.153 0.000 0.989 335 E CA 1.306 57.628 56.400 -0.130 0.000 0.800 335 E CB 0.087 29.660 29.700 -0.213 0.000 0.746 335 E HN 0.344 nan 8.360 nan 0.000 0.452 336 Q N -0.669 118.897 119.800 -0.390 0.000 2.079 336 Q HA -0.173 4.166 4.340 -0.001 0.000 0.200 336 Q C 1.755 177.748 176.000 -0.013 0.000 0.974 336 Q CA 1.463 57.161 55.803 -0.176 0.000 0.840 336 Q CB -0.154 28.410 28.738 -0.289 0.000 0.898 336 Q HN 0.379 nan 8.270 nan 0.000 0.430 337 W N 1.679 122.916 121.300 -0.106 0.000 2.302 337 W HA -0.190 4.471 4.660 0.000 0.000 0.320 337 W C 1.164 177.629 176.519 -0.091 0.000 1.241 337 W CA 0.926 58.148 57.345 -0.204 0.000 1.264 337 W CB -0.198 29.170 29.460 -0.154 0.000 1.154 337 W HN 0.216 nan 8.180 nan 0.000 0.483 341 I N 1.158 121.679 120.570 -0.081 0.000 2.286 341 I HA -0.148 4.022 4.170 -0.001 0.000 0.245 341 I C 2.246 178.364 176.117 0.001 0.000 1.104 341 I CA 1.150 62.438 61.300 -0.020 0.000 1.397 341 I CB -0.364 37.702 38.000 0.111 0.000 1.072 341 I HN 0.038 nan 8.210 nan 0.000 0.417 342 R N -0.379 120.127 120.500 0.011 0.000 2.120 342 R HA -0.230 4.110 4.340 -0.001 0.000 0.234 342 R C 2.309 178.591 176.300 -0.030 0.000 1.123 342 R CA 1.580 57.695 56.100 0.024 0.000 0.975 342 R CB -0.594 29.741 30.300 0.059 0.000 0.866 342 R HN 0.445 nan 8.270 nan 0.000 0.446 343 H N 0.466 119.396 119.070 -0.233 0.000 2.326 343 H HA -0.028 4.527 4.556 -0.001 0.000 0.301 343 H C 1.882 176.941 175.328 -0.448 0.000 1.081 343 H CA 1.539 57.395 56.048 -0.321 0.000 1.334 343 H CB -0.129 29.325 29.762 -0.513 0.000 1.385 343 H HN -0.119 nan 8.280 nan 0.000 0.504 344 V N -0.155 119.297 119.914 -0.770 0.000 2.358 344 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 344 V C 1.800 177.415 176.094 -0.798 0.000 1.047 344 V CA 2.096 63.785 62.300 -1.019 0.000 1.035 344 V CB -0.559 30.513 31.823 -1.251 0.000 0.658 344 V HN 0.486 nan 8.190 nan 0.000 0.452 345 Y N -0.667 119.429 120.300 -0.339 0.000 2.396 345 Y HA 0.086 4.637 4.550 0.001 0.000 0.292 345 Y C 2.424 178.232 175.900 -0.153 0.000 1.128 345 Y CA 1.104 59.080 58.100 -0.206 0.000 1.194 345 Y CB 0.280 38.651 38.460 -0.149 0.000 1.124 345 Y HN 0.172 nan 8.280 nan 0.000 0.543 346 E N -0.331 119.870 120.200 0.002 0.000 2.472 346 E HA -0.029 4.321 4.350 -0.001 0.000 0.196 346 E C -0.479 176.092 176.600 -0.049 0.000 1.033 346 E CA 0.379 56.775 56.400 -0.007 0.000 0.886 346 E CB 0.338 30.046 29.700 0.014 0.000 0.944 346 E HN 0.219 nan 8.360 nan 0.000 0.492 347 D N -0.090 120.235 120.400 -0.125 0.000 2.870 347 D HA -0.202 4.438 4.640 -0.001 0.000 0.228 347 D C -0.483 175.805 176.300 -0.019 0.000 1.147 347 D CA 0.974 54.890 54.000 -0.140 0.000 0.757 347 D CB -1.674 39.064 40.800 -0.103 0.000 1.091 347 D HN 0.325 nan 8.370 nan 0.000 0.429 348 A N 0.745 123.580 122.820 0.026 0.000 2.477 348 A HA 0.423 4.743 4.320 -0.001 0.000 0.246 348 A C -1.626 176.083 177.584 0.208 0.000 1.078 348 A CA -0.700 51.396 52.037 0.098 0.000 0.770 348 A CB 0.288 19.346 19.000 0.097 0.000 1.011 348 A HN -0.000 nan 8.150 nan 0.000 0.494 349 P HA 0.072 nan 4.420 nan 0.000 0.267 349 P C -1.073 176.315 177.300 0.147 0.000 1.200 349 P CA 0.689 63.873 63.100 0.140 0.000 0.772 349 P CB 0.217 31.949 31.700 0.053 0.000 0.855 350 Y N 1.090 121.294 120.300 -0.160 0.000 2.278 350 Y HA 0.194 4.744 4.550 -0.000 0.000 0.328 350 Y C 1.034 176.691 175.900 -0.405 0.000 1.166 350 Y CA -0.534 57.361 58.100 -0.341 0.000 1.211 350 Y CB 1.146 39.178 38.460 -0.713 0.000 1.167 350 Y HN 0.283 nan 8.280 nan 0.000 0.434 351 K N 3.485 123.370 120.400 -0.859 0.000 2.103 351 K HA -0.003 4.317 4.320 -0.001 0.000 0.204 351 K C -0.065 176.042 176.600 -0.823 0.000 1.052 351 K CA 1.047 56.841 56.287 -0.821 0.000 0.945 351 K CB 0.000 31.933 32.500 -0.944 0.000 0.722 351 K HN 0.494 nan 8.250 nan 0.000 0.443 352 F N 2.645 122.089 119.950 -0.844 0.000 2.668 352 F HA 0.059 4.586 4.527 -0.001 0.000 0.365 352 F C 0.838 176.416 175.800 -0.370 0.000 1.165 352 F CA -0.235 57.386 58.000 -0.630 0.000 1.344 352 F CB -1.134 37.510 39.000 -0.593 0.000 1.658 352 F HN -0.059 nan 8.300 nan 0.000 0.620 353 T N -3.050 111.470 114.554 -0.056 0.000 2.770 353 T HA 0.298 4.648 4.350 -0.001 0.000 0.281 353 T C 1.401 176.204 174.700 0.171 0.000 0.981 353 T CA -0.714 61.449 62.100 0.106 0.000 0.955 353 T CB 0.843 69.727 68.868 0.026 0.000 1.060 353 T HN 0.357 nan 8.240 nan 0.000 0.531 354 L N 0.246 121.693 121.223 0.372 0.000 2.353 354 L HA 0.021 4.361 4.340 -0.001 0.000 0.220 354 L C 2.501 179.471 176.870 0.167 0.000 1.133 354 L CA 0.578 55.564 54.840 0.243 0.000 0.798 354 L CB -0.775 41.420 42.059 0.228 0.000 0.922 354 L HN 0.622 nan 8.230 nan 0.000 0.445 355 L N -0.278 121.063 121.223 0.197 0.000 2.083 355 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 355 L C 2.570 179.506 176.870 0.110 0.000 1.083 355 L CA 1.701 56.626 54.840 0.141 0.000 0.752 355 L CB -0.344 41.796 42.059 0.136 0.000 0.899 355 L HN 0.153 nan 8.230 nan 0.000 0.433 356 E N 0.004 120.254 120.200 0.084 0.000 2.106 356 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 356 E C 2.144 178.778 176.600 0.056 0.000 0.984 356 E CA 1.149 57.588 56.400 0.065 0.000 0.806 356 E CB -0.715 29.017 29.700 0.054 0.000 0.750 356 E HN 0.654 nan 8.360 nan 0.000 0.458 357 G N 1.119 109.942 108.800 0.039 0.000 2.422 357 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.218 357 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.218 357 G C 1.698 176.631 174.900 0.056 0.000 1.146 357 G CA 1.050 46.159 45.100 0.016 0.000 0.769 357 G HN 0.383 nan 8.290 nan 0.000 0.547 358 A N 0.525 123.408 122.820 0.105 0.000 2.014 358 A HA 0.122 4.441 4.320 -0.001 0.000 0.218 358 A C 2.265 179.960 177.584 0.185 0.000 1.163 358 A CA 1.578 53.732 52.037 0.194 0.000 0.652 358 A CB -0.209 18.935 19.000 0.240 0.000 0.808 358 A HN 0.367 nan 8.150 nan 0.000 0.449 359 K N -0.550 119.920 120.400 0.117 0.000 2.097 359 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 359 K C 2.128 178.729 176.600 0.002 0.000 1.050 359 K CA 0.980 57.298 56.287 0.052 0.000 0.938 359 K CB -0.338 32.202 32.500 0.067 0.000 0.718 359 K HN 0.451 nan 8.250 nan 0.000 0.442 360 G N 1.078 109.894 108.800 0.027 0.000 2.421 360 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.216 360 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.216 360 G C 1.568 176.451 174.900 -0.029 0.000 1.171 360 G CA 0.695 45.796 45.100 0.002 0.000 0.775 360 G HN 0.086 nan 8.290 nan 0.000 0.543 361 V N 0.740 120.650 119.914 -0.006 0.000 2.490 361 V HA -0.235 3.885 4.120 -0.001 0.000 0.250 361 V C 2.730 178.767 176.094 -0.095 0.000 1.061 361 V CA 2.212 64.512 62.300 0.001 0.000 1.064 361 V CB -0.493 31.381 31.823 0.085 0.000 0.670 361 V HN 0.529 nan 8.190 nan 0.000 0.461 362 Q N -0.422 119.223 119.800 -0.259 0.000 2.050 362 Q HA -0.253 4.087 4.340 -0.001 0.000 0.202 362 Q C 2.265 178.092 176.000 -0.289 0.000 0.980 362 Q CA 1.982 57.405 55.803 -0.634 0.000 0.840 362 Q CB -0.187 28.011 28.738 -0.901 0.000 0.898 362 Q HN 0.524 nan 8.270 nan 0.000 0.424 363 L N 0.620 121.762 121.223 -0.134 0.000 2.046 363 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 363 L C 2.278 179.156 176.870 0.013 0.000 1.077 363 L CA 2.190 57.019 54.840 -0.018 0.000 0.747 363 L CB -0.996 41.092 42.059 0.048 0.000 0.896 363 L HN 0.294 nan 8.230 nan 0.000 0.432 364 A N -1.125 121.693 122.820 -0.004 0.000 1.940 364 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 364 A C 2.225 179.821 177.584 0.019 0.000 1.176 364 A CA 1.889 53.936 52.037 0.016 0.000 0.631 364 A CB -0.580 18.421 19.000 0.001 0.000 0.814 364 A HN 0.593 nan 8.150 nan 0.000 0.446 365 E N -1.041 119.149 120.200 -0.017 0.000 2.152 365 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 365 E C 1.969 178.568 176.600 -0.001 0.000 0.983 365 E CA 1.044 57.442 56.400 -0.003 0.000 0.818 365 E CB -0.253 29.437 29.700 -0.016 0.000 0.758 365 E HN 0.700 nan 8.360 nan 0.000 0.467 366 C N 0.496 119.781 119.300 -0.026 0.000 2.435 366 C HA -0.040 4.420 4.460 -0.001 0.000 0.279 366 C C 2.790 177.791 174.990 0.018 0.000 1.321 366 C CA 0.730 59.747 59.018 -0.001 0.000 1.752 366 C CB -0.824 26.915 27.740 -0.001 0.000 1.959 366 C HN 0.489 nan 8.230 nan 0.000 0.500 367 A N 0.636 123.472 122.820 0.027 0.000 1.873 367 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 367 A C 2.098 179.738 177.584 0.094 0.000 1.186 367 A CA 1.305 53.352 52.037 0.017 0.000 0.616 367 A CB -0.616 18.396 19.000 0.021 0.000 0.823 367 A HN 0.569 nan 8.150 nan 0.000 0.442 368 L N -0.663 120.639 121.223 0.132 0.000 2.042 368 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 368 L C 2.629 179.580 176.870 0.135 0.000 1.076 368 L CA 2.036 56.999 54.840 0.205 0.000 0.749 368 L CB -0.444 41.699 42.059 0.141 0.000 0.893 368 L HN 0.427 nan 8.230 nan 0.000 0.432 369 K N 0.196 120.639 120.400 0.072 0.000 2.032 369 K HA -0.204 4.116 4.320 -0.001 0.000 0.209 369 K C 2.323 178.955 176.600 0.053 0.000 1.048 369 K CA 1.860 58.172 56.287 0.042 0.000 0.927 369 K CB -0.064 32.456 32.500 0.033 0.000 0.712 369 K HN 0.383 nan 8.250 nan 0.000 0.441 370 S N -0.437 115.296 115.700 0.056 0.000 2.402 370 S HA -0.160 4.310 4.470 -0.001 0.000 0.229 370 S C 1.779 176.437 174.600 0.098 0.000 1.021 370 S CA 0.700 58.917 58.200 0.028 0.000 0.974 370 S CB -0.615 62.544 63.200 -0.070 0.000 0.800 370 S HN 0.545 nan 8.310 nan 0.000 0.484 371 W N 3.036 124.289 121.300 -0.078 0.000 2.378 371 W HA 0.054 4.713 4.660 -0.001 0.000 0.313 371 W C 2.277 178.774 176.519 -0.037 0.000 1.197 371 W CA 1.256 58.566 57.345 -0.060 0.000 1.304 371 W CB -0.866 28.568 29.460 -0.043 0.000 1.148 371 W HN 0.327 nan 8.180 nan 0.000 0.494 372 K N 0.174 120.563 120.400 -0.018 0.000 2.103 372 K HA -0.190 4.130 4.320 -0.001 0.000 0.207 372 K C 1.541 178.112 176.600 -0.050 0.000 1.048 372 K CA 1.959 58.153 56.287 -0.156 0.000 0.930 372 K CB -0.288 32.121 32.500 -0.153 0.000 0.716 372 K HN 0.212 nan 8.250 nan 0.000 0.444 373 E N 0.034 120.237 120.200 0.005 0.000 2.481 373 E HA 0.063 4.412 4.350 -0.001 0.000 0.198 373 E C -0.473 176.145 176.600 0.031 0.000 1.027 373 E CA -0.159 56.249 56.400 0.014 0.000 0.900 373 E CB 0.525 30.237 29.700 0.021 0.000 0.993 373 E HN 0.221 nan 8.360 nan 0.000 0.482 374 R N 0.991 121.519 120.500 0.047 0.000 3.525 374 R HA -0.204 4.135 4.340 -0.001 0.000 0.276 374 R C -0.129 176.192 176.300 0.035 0.000 1.116 374 R CA 0.917 57.044 56.100 0.046 0.000 0.745 374 R CB -2.122 28.204 30.300 0.044 0.000 1.185 374 R HN 0.372 nan 8.270 nan 0.000 0.454 375 R N -1.868 118.648 120.500 0.028 0.000 2.734 375 R HA 0.383 4.723 4.340 -0.001 0.000 0.271 375 R C -0.996 175.331 176.300 0.045 0.000 1.021 375 R CA -1.097 55.043 56.100 0.067 0.000 0.893 375 R CB 0.546 30.906 30.300 0.099 0.000 1.244 375 R HN -0.028 nan 8.270 nan 0.000 0.464 376 W N 1.273 122.574 121.300 0.002 0.000 2.209 376 W HA 0.246 4.905 4.660 -0.001 0.000 0.344 376 W C 0.163 176.685 176.519 0.004 0.000 1.285 376 W CA 0.209 57.550 57.345 -0.007 0.000 1.267 376 W CB 0.457 29.911 29.460 -0.009 0.000 1.167 376 W HN 0.259 nan 8.180 nan 0.000 0.574 377 I N 3.791 124.500 120.570 0.233 0.000 2.468 377 I HA 0.060 4.230 4.170 -0.001 0.000 0.285 377 I C -0.601 175.614 176.117 0.162 0.000 1.039 377 I CA -0.939 60.450 61.300 0.148 0.000 1.074 377 I CB 1.136 39.179 38.000 0.073 0.000 1.228 377 I HN 0.249 nan 8.210 nan 0.000 0.436 378 D N 5.277 125.760 120.400 0.138 0.000 2.414 378 D HA 0.160 4.800 4.640 -0.001 0.000 0.242 378 D C 0.065 176.417 176.300 0.087 0.000 1.129 378 D CA 0.012 54.081 54.000 0.116 0.000 0.885 378 D CB 1.771 42.622 40.800 0.085 0.000 1.198 378 D HN 0.088 nan 8.370 nan 0.000 0.437 379 V N 1.640 121.605 119.914 0.085 0.000 2.348 379 V HA 0.414 4.534 4.120 -0.001 0.000 0.270 379 V C 0.680 176.806 176.094 0.054 0.000 1.037 379 V CA -1.019 61.314 62.300 0.055 0.000 0.872 379 V CB 0.706 32.567 31.823 0.063 0.000 1.002 379 V HN 0.646 nan 8.190 nan 0.000 0.464 380 A N 7.679 130.531 122.820 0.054 0.000 2.477 380 A HA 0.570 4.890 4.320 -0.001 0.000 0.246 380 A C -1.993 175.643 177.584 0.087 0.000 1.078 380 A CA -0.854 51.230 52.037 0.078 0.000 0.770 380 A CB -0.268 18.797 19.000 0.107 0.000 1.011 380 A HN 0.691 nan 8.150 nan 0.000 0.494 381 P HA 0.356 nan 4.420 nan 0.000 0.271 381 P C -0.374 176.990 177.300 0.106 0.000 1.233 381 P CA 0.030 63.179 63.100 0.081 0.000 0.789 381 P CB 0.445 32.182 31.700 0.061 0.000 0.951 382 I N 0.000 120.634 120.570 0.106 0.000 2.984 382 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 382 I CA 0.000 61.369 61.300 0.115 0.000 1.566 382 I CB 0.000 38.091 38.000 0.151 0.000 1.214 382 I HN 0.000 nan 8.210 nan 0.000 0.494