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 3pl2_1_A DATA FIRST_RESID 6 DATA SEQUENCE STHEVLAIGR LGVDIYPLQS GVGLADVQSF GKYLGGSAAN VSVAAARHGH DATA SEQUENCE NSALLSRVGN DPFGEYLLAE LERLGVDNQY VATDQTFKTP VTFCEIFPPD DATA SEQUENCE DFPLYFYREP KAPDLNIESA DVSLDDVREA DILWFTLTGF SEEPSRGTHR DATA SEQUENCE EILTTRANRR HTIFDLDYRP XFWESPEEAT KQAEWALQHS TVAVGNKEEC DATA SEQUENCE EIAVGETEPE RAGRALLERG VELAIVKQGP KGVXAXTKDE TVEVPPFFVD DATA SEQUENCE VINGLGAGDA FGGALCHGLL SEWPLEKVLR FANTAGALVA SRLECSTAXP DATA SEQUENCE TTDEVEASLN 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.536 174.600 -0.106 0.000 1.055 6 S CA 0.000 58.138 58.200 -0.103 0.000 1.107 6 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 7 T N 3.181 117.666 114.554 -0.114 0.000 2.875 7 T HA 0.502 4.853 4.350 0.001 0.000 0.284 7 T C -0.475 174.118 174.700 -0.178 0.000 0.995 7 T CA -0.088 61.977 62.100 -0.058 0.000 1.060 7 T CB 0.594 69.461 68.868 -0.002 0.000 0.967 7 T HN 0.558 nan 8.240 nan 0.000 0.476 8 H N 0.714 119.838 119.070 0.089 0.000 2.479 8 H HA 0.289 4.845 4.556 0.001 0.000 0.335 8 H C 1.161 176.536 175.328 0.079 0.000 1.142 8 H CA -0.633 55.468 56.048 0.088 0.000 1.234 8 H CB 1.195 31.027 29.762 0.117 0.000 1.503 8 H HN 0.690 nan 8.280 nan 0.000 0.510 9 E N 0.913 121.226 120.200 0.188 0.000 2.106 9 E HA -0.029 4.322 4.350 0.001 0.000 0.192 9 E C -0.294 176.376 176.600 0.117 0.000 0.984 9 E CA 0.910 57.386 56.400 0.126 0.000 0.806 9 E CB 0.429 30.202 29.700 0.122 0.000 0.750 9 E HN 0.144 nan 8.360 nan 0.000 0.458 10 V N 1.846 121.851 119.914 0.151 0.000 2.482 10 V HA 0.219 4.340 4.120 0.001 0.000 0.295 10 V C -1.137 175.039 176.094 0.138 0.000 1.026 10 V CA -0.787 61.590 62.300 0.128 0.000 0.856 10 V CB 1.822 33.690 31.823 0.074 0.000 1.001 10 V HN 0.052 nan 8.190 nan 0.000 0.424 11 L N 5.442 126.760 121.223 0.159 0.000 2.295 11 L HA 0.912 5.252 4.340 0.001 0.000 0.281 11 L C 0.201 177.184 176.870 0.188 0.000 1.018 11 L CA -0.321 54.599 54.840 0.132 0.000 0.841 11 L CB 0.969 43.100 42.059 0.120 0.000 1.218 11 L HN 0.733 nan 8.230 nan 0.000 0.424 12 A N 6.108 129.030 122.820 0.171 0.000 2.312 12 A HA 0.846 5.166 4.320 0.001 0.000 0.328 12 A C -0.632 177.083 177.584 0.218 0.000 1.158 12 A CA -0.489 51.704 52.037 0.260 0.000 0.821 12 A CB 0.585 19.678 19.000 0.156 0.000 1.170 12 A HN 0.692 nan 8.150 nan 0.000 0.490 13 I N 1.465 122.216 120.570 0.301 0.000 2.466 13 I HA 0.666 4.837 4.170 0.001 0.000 0.289 13 I C 0.642 176.946 176.117 0.310 0.000 1.026 13 I CA 0.102 61.530 61.300 0.214 0.000 1.078 13 I CB 2.008 40.059 38.000 0.084 0.000 1.249 13 I HN 1.050 nan 8.210 nan 0.000 0.429 14 G N 5.374 114.309 108.800 0.226 0.000 2.295 14 G HA2 0.017 3.978 3.960 0.001 0.000 0.155 14 G HA3 0.017 3.978 3.960 0.001 0.000 0.155 14 G C -0.947 174.039 174.900 0.143 0.000 1.307 14 G CA -0.978 44.258 45.100 0.227 0.000 1.140 14 G HN 0.460 nan 8.290 nan 0.000 0.470 15 R N -0.001 120.583 120.500 0.140 0.000 2.537 15 R HA 0.482 4.822 4.340 0.001 0.000 0.280 15 R C -0.826 175.531 176.300 0.094 0.000 1.058 15 R CA 0.108 56.263 56.100 0.093 0.000 1.057 15 R CB 0.793 31.165 30.300 0.121 0.000 0.973 15 R HN 0.636 nan 8.270 nan 0.000 0.438 16 L N 1.350 122.614 121.223 0.069 0.000 2.493 16 L HA 0.695 5.035 4.340 0.001 0.000 0.265 16 L C -0.892 176.010 176.870 0.054 0.000 0.954 16 L CA 0.015 54.889 54.840 0.057 0.000 0.844 16 L CB 2.314 44.397 42.059 0.041 0.000 1.302 16 L HN 0.725 nan 8.230 nan 0.000 0.405 17 G N 2.492 111.322 108.800 0.049 0.000 2.495 17 G HA2 0.529 4.489 3.960 0.001 0.000 0.294 17 G HA3 0.529 4.489 3.960 0.001 0.000 0.294 17 G C -2.040 172.855 174.900 -0.007 0.000 1.397 17 G CA -0.502 44.617 45.100 0.031 0.000 0.790 17 G HN 0.501 nan 8.290 nan 0.000 0.486 18 V N 1.274 121.125 119.914 -0.106 0.000 2.407 18 V HA 0.367 4.488 4.120 0.001 0.000 0.278 18 V C -0.774 175.191 176.094 -0.215 0.000 1.037 18 V CA -0.700 61.484 62.300 -0.193 0.000 0.900 18 V CB 1.452 32.927 31.823 -0.581 0.000 0.983 18 V HN 0.580 nan 8.190 nan 0.000 0.459 19 D N 4.821 125.167 120.400 -0.090 0.000 2.280 19 D HA 0.373 5.014 4.640 0.001 0.000 0.243 19 D C -0.261 175.978 176.300 -0.101 0.000 1.129 19 D CA -0.176 53.779 54.000 -0.074 0.000 0.848 19 D CB 1.580 42.417 40.800 0.061 0.000 1.107 19 D HN 0.193 nan 8.370 nan 0.000 0.471 20 I N 4.242 124.634 120.570 -0.296 0.000 2.412 20 I HA 0.118 4.288 4.170 0.001 0.000 0.279 20 I C -0.505 175.588 176.117 -0.040 0.000 1.063 20 I CA -0.795 60.294 61.300 -0.352 0.000 1.193 20 I CB -0.485 36.971 38.000 -0.906 0.000 1.370 20 I HN 0.244 nan 8.210 nan 0.000 0.479 21 Y N 6.589 126.947 120.300 0.096 0.000 2.361 21 Y HA 0.785 5.336 4.550 0.001 0.000 0.332 21 Y C -2.755 173.345 175.900 0.334 0.000 1.101 21 Y CA -3.647 54.587 58.100 0.224 0.000 1.137 21 Y CB 0.601 39.135 38.460 0.123 0.000 1.207 21 Y HN 0.273 nan 8.280 nan 0.000 0.463 22 P HA 0.125 nan 4.420 nan 0.000 0.271 22 P C -0.033 177.147 177.300 -0.199 0.000 1.216 22 P CA -0.146 62.842 63.100 -0.186 0.000 0.776 22 P CB 1.513 33.118 31.700 -0.158 0.000 0.881 23 L N 0.611 121.646 121.223 -0.314 0.000 2.592 23 L HA 0.121 4.462 4.340 0.001 0.000 0.227 23 L C 0.472 177.281 176.870 -0.102 0.000 1.127 23 L CA 0.574 55.306 54.840 -0.180 0.000 0.884 23 L CB -0.258 41.667 42.059 -0.223 0.000 1.065 23 L HN 0.349 nan 8.230 nan 0.000 0.457 24 Q N -0.739 118.982 119.800 -0.133 0.000 2.340 24 Q HA 0.436 4.776 4.340 0.001 0.000 0.268 24 Q C -0.600 175.350 176.000 -0.084 0.000 1.031 24 Q CA -0.093 55.654 55.803 -0.094 0.000 0.804 24 Q CB 2.373 31.039 28.738 -0.121 0.000 1.286 24 Q HN -0.087 nan 8.270 nan 0.000 0.448 25 S N 0.319 115.992 115.700 -0.045 0.000 2.687 25 S HA 0.699 5.169 4.470 0.001 0.000 0.283 25 S C 0.754 175.303 174.600 -0.085 0.000 1.170 25 S CA 0.011 58.176 58.200 -0.059 0.000 1.008 25 S CB 1.250 64.459 63.200 0.015 0.000 1.026 25 S HN 0.988 nan 8.310 nan 0.000 0.541 26 G N -0.207 108.485 108.800 -0.179 0.000 2.153 26 G HA2 -0.198 3.763 3.960 0.001 0.000 0.252 26 G HA3 -0.198 3.763 3.960 0.001 0.000 0.252 26 G C -0.014 174.906 174.900 0.035 0.000 0.994 26 G CA 0.313 45.387 45.100 -0.043 0.000 0.698 26 G HN 1.442 nan 8.290 nan 0.000 0.521 27 V N -2.407 117.396 119.914 -0.184 0.000 2.735 27 V HA 0.979 5.099 4.120 0.001 0.000 0.310 27 V C 0.761 176.837 176.094 -0.029 0.000 1.061 27 V CA -0.267 62.034 62.300 0.001 0.000 0.913 27 V CB 1.655 33.462 31.823 -0.028 0.000 1.005 27 V HN 1.263 nan 8.190 nan 0.000 0.428 28 G N 1.592 110.533 108.800 0.235 0.000 2.606 28 G HA2 0.401 4.362 3.960 0.001 0.000 0.252 28 G HA3 0.401 4.362 3.960 0.001 0.000 0.252 28 G C 0.594 175.542 174.900 0.081 0.000 1.206 28 G CA -0.654 44.592 45.100 0.243 0.000 0.861 28 G HN 0.984 nan 8.290 nan 0.000 0.561 29 L N 0.799 122.064 121.223 0.069 0.000 2.081 29 L HA -0.219 4.122 4.340 0.001 0.000 0.212 29 L C 3.231 180.111 176.870 0.016 0.000 1.080 29 L CA 1.565 56.431 54.840 0.045 0.000 0.754 29 L CB -0.390 41.637 42.059 -0.053 0.000 0.893 29 L HN 0.633 nan 8.230 nan 0.000 0.433 30 A N -0.727 122.095 122.820 0.002 0.000 2.070 30 A HA -0.193 4.128 4.320 0.001 0.000 0.220 30 A C 1.696 179.274 177.584 -0.009 0.000 1.159 30 A CA 1.794 53.829 52.037 -0.005 0.000 0.656 30 A CB -0.279 18.721 19.000 -0.001 0.000 0.800 30 A HN 0.396 nan 8.150 nan 0.000 0.453 31 D N -0.941 119.452 120.400 -0.011 0.000 2.379 31 D HA 0.167 4.808 4.640 0.001 0.000 0.208 31 D C 0.063 176.312 176.300 -0.086 0.000 1.065 31 D CA 0.059 54.041 54.000 -0.031 0.000 0.848 31 D CB 0.345 41.143 40.800 -0.003 0.000 0.949 31 D HN 0.136 nan 8.370 nan 0.000 0.509 32 V N 2.343 122.174 119.914 -0.137 0.000 2.585 32 V HA -0.036 4.084 4.120 0.001 0.000 0.296 32 V C 1.320 177.241 176.094 -0.288 0.000 1.035 32 V CA 0.378 62.492 62.300 -0.310 0.000 1.084 32 V CB 1.603 33.085 31.823 -0.570 0.000 0.953 32 V HN 0.013 nan 8.190 nan 0.000 0.483 33 Q N 2.476 122.110 119.800 -0.277 0.000 2.391 33 Q HA 0.170 4.511 4.340 0.001 0.000 0.211 33 Q C 0.643 176.521 176.000 -0.202 0.000 0.908 33 Q CA 0.510 56.204 55.803 -0.183 0.000 0.920 33 Q CB 0.904 29.568 28.738 -0.123 0.000 1.056 33 Q HN 0.903 nan 8.270 nan 0.000 0.523 34 S N -0.903 114.592 115.700 -0.342 0.000 2.550 34 S HA 0.721 5.192 4.470 0.001 0.000 0.270 34 S C -1.081 173.219 174.600 -0.500 0.000 1.145 34 S CA -0.859 57.170 58.200 -0.285 0.000 0.852 34 S CB 1.076 64.181 63.200 -0.159 0.000 1.119 34 S HN 0.019 nan 8.310 nan 0.000 0.465 35 F N 0.490 120.339 119.950 -0.168 0.000 2.551 35 F HA 0.777 5.305 4.527 0.001 0.000 0.316 35 F C 1.030 176.579 175.800 -0.419 0.000 1.089 35 F CA -0.336 57.494 58.000 -0.283 0.000 0.915 35 F CB 2.298 41.215 39.000 -0.138 0.000 1.186 35 F HN 1.018 nan 8.300 nan 0.000 0.456 36 G N 0.965 109.384 108.800 -0.635 0.000 2.532 36 G HA2 0.560 4.521 3.960 0.001 0.000 0.291 36 G HA3 0.560 4.521 3.960 0.001 0.000 0.291 36 G C -1.583 173.102 174.900 -0.360 0.000 1.349 36 G CA -0.631 44.090 45.100 -0.632 0.000 1.038 36 G HN 0.565 nan 8.290 nan 0.000 0.518 37 K N -0.591 119.620 120.400 -0.315 0.000 2.535 37 K HA 0.523 4.843 4.320 0.001 0.000 0.250 37 K C -2.059 174.400 176.600 -0.234 0.000 0.948 37 K CA -0.639 55.520 56.287 -0.213 0.000 0.796 37 K CB 1.634 33.992 32.500 -0.236 0.000 1.216 37 K HN 0.429 nan 8.250 nan 0.000 0.432 38 Y N 1.510 121.926 120.300 0.193 0.000 2.597 38 Y HA 0.324 4.875 4.550 0.001 0.000 0.340 38 Y C -0.476 175.534 175.900 0.183 0.000 1.097 38 Y CA -1.103 57.124 58.100 0.212 0.000 1.037 38 Y CB 1.397 39.902 38.460 0.074 0.000 1.305 38 Y HN 0.546 nan 8.280 nan 0.000 0.463 39 L N 1.773 123.200 121.223 0.340 0.000 2.453 39 L HA 0.646 4.986 4.340 0.001 0.000 0.272 39 L C 0.282 177.197 176.870 0.074 0.000 1.182 39 L CA 0.851 55.753 54.840 0.104 0.000 0.858 39 L CB 0.039 42.069 42.059 -0.047 0.000 1.120 39 L HN 0.837 nan 8.230 nan 0.000 0.474 40 G N 1.793 110.622 108.800 0.049 0.000 2.815 40 G HA2 0.625 4.585 3.960 0.001 0.000 0.305 40 G HA3 0.625 4.585 3.960 0.001 0.000 0.305 40 G C -0.550 174.389 174.900 0.064 0.000 1.277 40 G CA -0.341 44.787 45.100 0.046 0.000 0.795 40 G HN 1.192 nan 8.290 nan 0.000 0.528 41 G N -1.397 107.465 108.800 0.104 0.000 3.055 41 G HA2 0.277 4.237 3.960 0.001 0.000 0.686 41 G HA3 0.277 4.237 3.960 0.001 0.000 0.686 41 G C 0.775 175.755 174.900 0.132 0.000 1.087 41 G CA 0.598 45.785 45.100 0.146 0.000 0.779 41 G HN 1.756 nan 8.290 nan 0.000 0.599 42 S N 1.381 117.189 115.700 0.179 0.000 2.369 42 S HA -0.113 4.357 4.470 0.001 0.000 0.225 42 S C 2.960 177.652 174.600 0.154 0.000 1.043 42 S CA 2.879 61.187 58.200 0.180 0.000 1.074 42 S CB -0.400 62.948 63.200 0.247 0.000 0.962 42 S HN 2.188 nan 8.310 nan 0.000 0.433 43 A N 1.344 124.282 122.820 0.197 0.000 1.908 43 A HA 0.127 4.447 4.320 0.001 0.000 0.218 43 A C 2.493 180.114 177.584 0.062 0.000 1.181 43 A CA 2.124 54.274 52.037 0.187 0.000 0.627 43 A CB -1.463 17.689 19.000 0.253 0.000 0.818 43 A HN 0.818 nan 8.150 nan 0.000 0.445 44 A N 0.240 123.095 122.820 0.058 0.000 1.877 44 A HA -0.217 4.104 4.320 0.001 0.000 0.216 44 A C 1.934 179.502 177.584 -0.026 0.000 1.186 44 A CA 1.866 53.911 52.037 0.013 0.000 0.620 44 A CB -0.682 18.328 19.000 0.017 0.000 0.822 44 A HN 0.548 nan 8.150 nan 0.000 0.443 45 N N 0.162 118.851 118.700 -0.019 0.000 2.104 45 N HA -0.126 4.614 4.740 0.001 0.000 0.190 45 N C 1.695 177.142 175.510 -0.105 0.000 1.024 45 N CA 1.608 54.628 53.050 -0.051 0.000 0.853 45 N CB -0.618 37.856 38.487 -0.023 0.000 1.008 45 N HN 0.272 nan 8.380 nan 0.000 0.424 46 V N 1.393 121.211 119.914 -0.160 0.000 2.358 46 V HA -0.209 3.911 4.120 0.001 0.000 0.246 46 V C 2.525 178.460 176.094 -0.264 0.000 1.047 46 V CA 1.949 64.044 62.300 -0.342 0.000 1.035 46 V CB -0.854 30.500 31.823 -0.780 0.000 0.658 46 V HN 0.454 nan 8.190 nan 0.000 0.452 47 S N 0.010 115.608 115.700 -0.170 0.000 2.383 47 S HA -0.184 4.287 4.470 0.001 0.000 0.229 47 S C 1.951 176.507 174.600 -0.074 0.000 1.030 47 S CA 1.765 59.909 58.200 -0.093 0.000 1.002 47 S CB -0.705 62.467 63.200 -0.047 0.000 0.829 47 S HN 0.316 nan 8.310 nan 0.000 0.467 48 V N 2.636 122.499 119.914 -0.085 0.000 2.343 48 V HA -0.102 4.018 4.120 0.001 0.000 0.247 48 V C 3.182 179.213 176.094 -0.105 0.000 1.051 48 V CA 1.692 63.939 62.300 -0.088 0.000 1.036 48 V CB -1.558 30.208 31.823 -0.096 0.000 0.654 48 V HN 0.690 nan 8.190 nan 0.000 0.451 49 A N -0.084 122.667 122.820 -0.115 0.000 1.930 49 A HA -0.062 4.258 4.320 0.001 0.000 0.217 49 A C 2.408 179.956 177.584 -0.060 0.000 1.175 49 A CA 1.945 53.909 52.037 -0.123 0.000 0.627 49 A CB -0.692 18.253 19.000 -0.092 0.000 0.815 49 A HN 0.559 nan 8.150 nan 0.000 0.443 50 A N -0.085 122.735 122.820 0.001 0.000 1.898 50 A HA 0.192 4.513 4.320 0.001 0.000 0.216 50 A C 2.497 180.166 177.584 0.141 0.000 1.181 50 A CA 1.944 54.060 52.037 0.132 0.000 0.620 50 A CB -0.991 18.043 19.000 0.056 0.000 0.819 50 A HN 1.023 nan 8.150 nan 0.000 0.442 51 A N -0.376 122.464 122.820 0.032 0.000 1.908 51 A HA -0.173 4.148 4.320 0.001 0.000 0.218 51 A C 2.173 179.722 177.584 -0.059 0.000 1.181 51 A CA 1.475 53.514 52.037 0.004 0.000 0.627 51 A CB -0.469 18.517 19.000 -0.023 0.000 0.818 51 A HN 0.382 nan 8.150 nan 0.000 0.445 52 R N -0.420 119.997 120.500 -0.140 0.000 2.152 52 R HA -0.079 4.261 4.340 0.001 0.000 0.232 52 R C 0.905 177.022 176.300 -0.306 0.000 1.117 52 R CA 1.015 56.973 56.100 -0.238 0.000 0.981 52 R CB -0.632 29.473 30.300 -0.324 0.000 0.870 52 R HN 0.676 nan 8.270 nan 0.000 0.451 53 H N -0.514 118.522 119.070 -0.057 0.000 2.566 53 H HA 0.135 4.691 4.556 0.001 0.000 0.280 53 H C 1.071 176.227 175.328 -0.288 0.000 1.042 53 H CA 0.715 56.678 56.048 -0.143 0.000 1.168 53 H CB 0.092 29.818 29.762 -0.060 0.000 1.340 53 H HN 0.391 nan 8.280 nan 0.000 0.597 54 G N 1.053 109.767 108.800 -0.145 0.000 2.148 54 G HA2 -0.243 3.718 3.960 0.001 0.000 0.254 54 G HA3 -0.243 3.718 3.960 0.001 0.000 0.254 54 G C -0.029 174.717 174.900 -0.257 0.000 0.981 54 G CA -0.121 44.862 45.100 -0.194 0.000 0.670 54 G HN 0.473 nan 8.290 nan 0.000 0.528 55 H N -0.125 118.989 119.070 0.072 0.000 2.481 55 H HA 0.385 4.941 4.556 0.001 0.000 0.339 55 H C 0.331 175.695 175.328 0.061 0.000 1.131 55 H CA -0.607 55.481 56.048 0.066 0.000 1.301 55 H CB 1.255 31.063 29.762 0.076 0.000 1.476 55 H HN 0.192 nan 8.280 nan 0.000 0.529 56 N N 1.408 120.224 118.700 0.193 0.000 2.399 56 N HA -0.003 4.737 4.740 0.001 0.000 0.259 56 N C -1.103 174.554 175.510 0.245 0.000 1.160 56 N CA 0.157 53.312 53.050 0.176 0.000 0.946 56 N CB 0.304 38.865 38.487 0.124 0.000 1.156 56 N HN 0.349 nan 8.380 nan 0.000 0.489 57 S N 1.412 117.226 115.700 0.190 0.000 2.513 57 S HA 0.903 5.374 4.470 0.001 0.000 0.299 57 S C -0.931 173.650 174.600 -0.031 0.000 1.087 57 S CA -0.730 57.530 58.200 0.100 0.000 1.012 57 S CB 1.684 64.920 63.200 0.060 0.000 1.044 57 S HN 0.741 nan 8.310 nan 0.000 0.485 58 A N 1.674 124.398 122.820 -0.160 0.000 2.498 58 A HA 0.860 5.181 4.320 0.001 0.000 0.298 58 A C -1.774 175.776 177.584 -0.057 0.000 1.075 58 A CA -0.601 51.273 52.037 -0.272 0.000 0.714 58 A CB 1.267 19.802 19.000 -0.774 0.000 1.299 58 A HN 0.658 nan 8.150 nan 0.000 0.407 59 L N 1.481 122.703 121.223 -0.003 0.000 2.356 59 L HA 0.711 5.052 4.340 0.001 0.000 0.277 59 L C -1.275 175.671 176.870 0.127 0.000 0.996 59 L CA -0.664 54.213 54.840 0.061 0.000 0.822 59 L CB 1.680 43.758 42.059 0.031 0.000 1.256 59 L HN 0.689 nan 8.230 nan 0.000 0.413 60 L N 5.031 126.324 121.223 0.117 0.000 2.255 60 L HA 0.784 5.125 4.340 0.001 0.000 0.289 60 L C -0.285 176.625 176.870 0.066 0.000 1.046 60 L CA 0.918 55.809 54.840 0.085 0.000 0.816 60 L CB 0.511 42.553 42.059 -0.029 0.000 1.197 60 L HN 0.777 nan 8.230 nan 0.000 0.427 61 S N 4.643 120.383 115.700 0.067 0.000 2.755 61 S HA 0.735 5.205 4.470 0.001 0.000 0.286 61 S C -1.118 173.512 174.600 0.050 0.000 1.207 61 S CA -0.765 57.468 58.200 0.056 0.000 0.892 61 S CB 1.063 64.298 63.200 0.059 0.000 1.240 61 S HN 0.702 nan 8.310 nan 0.000 0.525 62 R N -0.091 120.436 120.500 0.046 0.000 2.817 62 R HA 0.751 5.091 4.340 0.001 0.000 0.268 62 R C -1.201 175.131 176.300 0.053 0.000 1.027 62 R CA -0.783 55.347 56.100 0.050 0.000 0.928 62 R CB 1.805 32.138 30.300 0.055 0.000 1.228 62 R HN 0.609 nan 8.270 nan 0.000 0.469 63 V N -1.754 118.195 119.914 0.059 0.000 3.113 63 V HA 0.859 4.979 4.120 0.001 0.000 0.316 63 V C 0.207 176.352 176.094 0.086 0.000 1.125 63 V CA -0.773 61.570 62.300 0.073 0.000 1.026 63 V CB 1.668 33.532 31.823 0.068 0.000 1.080 63 V HN 0.813 nan 8.190 nan 0.000 0.444 64 G N 0.318 109.181 108.800 0.106 0.000 2.572 64 G HA2 0.268 4.229 3.960 0.001 0.000 0.261 64 G HA3 0.268 4.229 3.960 0.001 0.000 0.261 64 G C -0.132 174.817 174.900 0.082 0.000 1.197 64 G CA -0.485 44.678 45.100 0.105 0.000 0.870 64 G HN 0.943 nan 8.290 nan 0.000 0.548 65 N N 0.819 119.554 118.700 0.059 0.000 3.124 65 N HA 0.231 4.972 4.740 0.001 0.000 0.284 65 N C -0.976 174.558 175.510 0.039 0.000 1.209 65 N CA -0.489 52.585 53.050 0.039 0.000 1.149 65 N CB -0.244 38.253 38.487 0.017 0.000 1.434 65 N HN 0.598 nan 8.380 nan 0.000 0.529 66 D N -0.802 119.631 120.400 0.055 0.000 2.671 66 D HA 0.296 4.936 4.640 0.001 0.000 0.273 66 D C -2.455 173.875 176.300 0.050 0.000 1.264 66 D CA -1.204 52.822 54.000 0.042 0.000 0.788 66 D CB 0.434 41.270 40.800 0.059 0.000 1.324 66 D HN -0.118 nan 8.370 nan 0.000 0.424 67 P HA -0.011 nan 4.420 nan 0.000 0.218 67 P C 0.978 178.337 177.300 0.098 0.000 1.149 67 P CA 0.856 63.946 63.100 -0.017 0.000 0.817 67 P CB -0.018 31.595 31.700 -0.146 0.000 0.785 68 F N -0.148 119.852 119.950 0.085 0.000 2.216 68 F HA -0.014 4.513 4.527 0.001 0.000 0.300 68 F C 2.471 178.369 175.800 0.163 0.000 1.085 68 F CA 1.452 59.538 58.000 0.143 0.000 1.326 68 F CB -1.615 37.441 39.000 0.094 0.000 1.027 68 F HN -0.060 nan 8.300 nan 0.000 0.497 69 G N -0.611 108.360 108.800 0.285 0.000 2.394 69 G HA2 -0.178 3.783 3.960 0.001 0.000 0.215 69 G HA3 -0.178 3.783 3.960 0.001 0.000 0.215 69 G C 1.593 176.571 174.900 0.129 0.000 1.165 69 G CA 0.510 45.713 45.100 0.171 0.000 0.784 69 G HN 0.334 nan 8.290 nan 0.000 0.535 70 E N -0.501 119.777 120.200 0.130 0.000 2.085 70 E HA -0.202 4.149 4.350 0.001 0.000 0.194 70 E C 2.057 178.736 176.600 0.133 0.000 0.994 70 E CA 1.124 57.586 56.400 0.103 0.000 0.801 70 E CB -0.299 29.451 29.700 0.083 0.000 0.743 70 E HN 0.549 nan 8.360 nan 0.000 0.453 71 Y N 1.628 121.985 120.300 0.096 0.000 2.081 71 Y HA -0.251 4.299 4.550 0.001 0.000 0.280 71 Y C 1.885 177.840 175.900 0.092 0.000 1.163 71 Y CA 1.557 59.722 58.100 0.109 0.000 1.135 71 Y CB -0.415 38.152 38.460 0.180 0.000 0.970 71 Y HN -0.054 nan 8.280 nan 0.000 0.498 72 L N -0.572 120.514 121.223 -0.228 0.000 2.093 72 L HA -0.227 4.114 4.340 0.001 0.000 0.208 72 L C 2.578 179.328 176.870 -0.200 0.000 1.085 72 L CA 1.176 55.821 54.840 -0.324 0.000 0.755 72 L CB -0.656 41.343 42.059 -0.100 0.000 0.904 72 L HN 0.302 nan 8.230 nan 0.000 0.435 73 L N -0.287 120.883 121.223 -0.088 0.000 2.017 73 L HA -0.217 4.124 4.340 0.001 0.000 0.208 73 L C 2.899 179.727 176.870 -0.070 0.000 1.073 73 L CA 1.352 56.158 54.840 -0.056 0.000 0.745 73 L CB -0.740 41.311 42.059 -0.014 0.000 0.894 73 L HN 0.247 nan 8.230 nan 0.000 0.432 74 A N -0.296 122.486 122.820 -0.063 0.000 1.933 74 A HA -0.249 4.072 4.320 0.001 0.000 0.218 74 A C 2.180 179.715 177.584 -0.083 0.000 1.175 74 A CA 1.913 53.924 52.037 -0.043 0.000 0.628 74 A CB -0.433 18.577 19.000 0.017 0.000 0.814 74 A HN 0.405 nan 8.150 nan 0.000 0.444 75 E N 0.074 120.154 120.200 -0.200 0.000 2.072 75 E HA -0.074 4.276 4.350 0.001 0.000 0.190 75 E C 1.835 178.350 176.600 -0.142 0.000 0.982 75 E CA 0.868 57.140 56.400 -0.214 0.000 0.803 75 E CB -0.383 29.021 29.700 -0.492 0.000 0.755 75 E HN 0.567 nan 8.360 nan 0.000 0.453 76 L N 0.451 121.588 121.223 -0.143 0.000 2.013 76 L HA -0.254 4.086 4.340 0.001 0.000 0.212 76 L C 2.640 179.469 176.870 -0.069 0.000 1.073 76 L CA 2.133 56.916 54.840 -0.094 0.000 0.753 76 L CB -0.434 41.577 42.059 -0.080 0.000 0.890 76 L HN 0.308 nan 8.230 nan 0.000 0.432 77 E N 0.014 120.178 120.200 -0.061 0.000 2.072 77 E HA -0.269 4.082 4.350 0.001 0.000 0.191 77 E C 2.346 178.926 176.600 -0.034 0.000 0.985 77 E CA 1.049 57.424 56.400 -0.041 0.000 0.801 77 E CB -0.049 29.631 29.700 -0.033 0.000 0.750 77 E HN 0.204 nan 8.360 nan 0.000 0.452 78 R N 0.164 120.644 120.500 -0.033 0.000 2.105 78 R HA -0.100 4.240 4.340 0.001 0.000 0.239 78 R C 1.929 178.210 176.300 -0.030 0.000 1.135 78 R CA 1.378 57.465 56.100 -0.020 0.000 0.967 78 R CB -0.198 30.100 30.300 -0.003 0.000 0.861 78 R HN 0.295 nan 8.270 nan 0.000 0.442 79 L N -0.228 120.967 121.223 -0.046 0.000 2.627 79 L HA 0.168 4.509 4.340 0.001 0.000 0.233 79 L C 0.959 177.797 176.870 -0.054 0.000 1.144 79 L CA 0.513 55.319 54.840 -0.058 0.000 0.892 79 L CB 0.355 42.369 42.059 -0.074 0.000 1.039 79 L HN 0.587 nan 8.230 nan 0.000 0.442 80 G N 0.105 108.880 108.800 -0.041 0.000 2.132 80 G HA2 -0.223 3.737 3.960 0.001 0.000 0.234 80 G HA3 -0.223 3.737 3.960 0.001 0.000 0.234 80 G C -0.016 174.872 174.900 -0.020 0.000 0.989 80 G CA -0.071 45.012 45.100 -0.029 0.000 0.676 80 G HN 0.115 nan 8.290 nan 0.000 0.522 81 V N 0.918 120.813 119.914 -0.031 0.000 2.435 81 V HA 0.476 4.596 4.120 0.001 0.000 0.290 81 V C 0.234 176.304 176.094 -0.041 0.000 1.030 81 V CA -0.983 61.297 62.300 -0.032 0.000 0.881 81 V CB 1.858 33.653 31.823 -0.047 0.000 0.983 81 V HN 0.332 nan 8.190 nan 0.000 0.445 82 D N 3.943 124.317 120.400 -0.044 0.000 2.401 82 D HA 0.003 4.643 4.640 0.001 0.000 0.254 82 D C 0.866 177.086 176.300 -0.135 0.000 1.192 82 D CA 0.004 53.963 54.000 -0.070 0.000 0.885 82 D CB 0.818 41.610 40.800 -0.013 0.000 1.147 82 D HN 0.702 nan 8.370 nan 0.000 0.478 83 N N 2.610 121.242 118.700 -0.113 0.000 2.270 83 N HA -0.126 4.615 4.740 0.001 0.000 0.198 83 N C 1.292 176.722 175.510 -0.132 0.000 1.117 83 N CA 0.125 53.114 53.050 -0.101 0.000 0.845 83 N CB -0.300 38.150 38.487 -0.063 0.000 0.980 83 N HN 0.589 nan 8.380 nan 0.000 0.486 84 Q N -0.498 119.153 119.800 -0.248 0.000 2.297 84 Q HA -0.181 4.160 4.340 0.001 0.000 0.208 84 Q C 0.096 175.965 176.000 -0.218 0.000 0.981 84 Q CA 1.229 56.862 55.803 -0.283 0.000 0.876 84 Q CB -0.546 27.953 28.738 -0.398 0.000 0.921 84 Q HN 0.438 nan 8.270 nan 0.000 0.446 85 Y N 0.376 120.665 120.300 -0.019 0.000 2.571 85 Y HA 0.355 4.906 4.550 0.001 0.000 0.275 85 Y C -0.129 175.760 175.900 -0.018 0.000 1.179 85 Y CA -0.957 57.130 58.100 -0.020 0.000 1.242 85 Y CB 0.747 39.187 38.460 -0.034 0.000 1.126 85 Y HN -0.121 nan 8.280 nan 0.000 0.524 86 V N 1.411 121.377 119.914 0.086 0.000 2.270 86 V HA 0.614 4.734 4.120 0.001 0.000 0.263 86 V C 0.565 176.687 176.094 0.046 0.000 1.066 86 V CA -1.164 61.169 62.300 0.056 0.000 0.857 86 V CB -0.147 31.692 31.823 0.026 0.000 1.099 86 V HN 0.328 nan 8.190 nan 0.000 0.476 87 A N 3.628 126.481 122.820 0.055 0.000 2.332 87 A HA 0.616 4.937 4.320 0.001 0.000 0.258 87 A C 0.596 178.205 177.584 0.041 0.000 1.087 87 A CA -0.193 51.871 52.037 0.045 0.000 0.802 87 A CB 0.314 19.341 19.000 0.045 0.000 1.042 87 A HN 0.617 nan 8.150 nan 0.000 0.489 88 T N 1.982 116.557 114.554 0.035 0.000 2.729 88 T HA 0.268 4.619 4.350 0.001 0.000 0.296 88 T C -0.247 174.474 174.700 0.035 0.000 0.928 88 T CA 0.164 62.286 62.100 0.037 0.000 1.045 88 T CB 0.254 69.139 68.868 0.030 0.000 0.902 88 T HN 0.701 nan 8.240 nan 0.000 0.500 89 D N 2.268 122.698 120.400 0.049 0.000 2.389 89 D HA 0.070 4.711 4.640 0.001 0.000 0.247 89 D C 1.151 177.456 176.300 0.010 0.000 1.128 89 D CA -0.186 53.843 54.000 0.047 0.000 0.884 89 D CB 0.814 41.679 40.800 0.108 0.000 1.194 89 D HN 0.290 nan 8.370 nan 0.000 0.441 90 Q N 1.869 121.650 119.800 -0.031 0.000 2.425 90 Q HA 0.031 4.371 4.340 0.001 0.000 0.204 90 Q C 0.894 176.820 176.000 -0.122 0.000 0.933 90 Q CA 0.686 56.453 55.803 -0.059 0.000 0.939 90 Q CB 0.702 29.406 28.738 -0.057 0.000 1.044 90 Q HN 0.506 nan 8.270 nan 0.000 0.513 91 T N -0.614 113.808 114.554 -0.220 0.000 3.138 91 T HA 0.198 4.549 4.350 0.001 0.000 0.245 91 T C 0.078 174.518 174.700 -0.435 0.000 0.982 91 T CA 0.035 61.865 62.100 -0.450 0.000 1.134 91 T CB 0.178 68.544 68.868 -0.838 0.000 1.032 91 T HN -0.030 nan 8.240 nan 0.000 0.442 92 F N 2.281 122.240 119.950 0.015 0.000 2.377 92 F HA 0.517 5.045 4.527 0.001 0.000 0.328 92 F C 0.613 176.435 175.800 0.037 0.000 1.094 92 F CA -1.289 56.724 58.000 0.022 0.000 1.093 92 F CB 0.640 39.645 39.000 0.009 0.000 1.214 92 F HN -0.284 nan 8.300 nan 0.000 0.518 93 K N 0.336 120.893 120.400 0.261 0.000 2.154 93 K HA 0.322 4.642 4.320 0.001 0.000 0.264 93 K C -0.260 176.446 176.600 0.177 0.000 1.008 93 K CA -0.646 55.752 56.287 0.185 0.000 0.937 93 K CB 0.540 33.147 32.500 0.178 0.000 1.002 93 K HN 0.537 nan 8.250 nan 0.000 0.469 94 T N 4.540 119.196 114.554 0.170 0.000 2.867 94 T HA 0.080 4.430 4.350 0.001 0.000 0.297 94 T C -2.148 172.631 174.700 0.131 0.000 0.989 94 T CA -0.997 61.195 62.100 0.153 0.000 1.159 94 T CB 0.061 69.046 68.868 0.196 0.000 0.928 94 T HN 0.364 nan 8.240 nan 0.000 0.538 95 P HA 0.343 nan 4.420 nan 0.000 0.278 95 P C -0.613 176.689 177.300 0.004 0.000 1.238 95 P CA -0.588 62.570 63.100 0.096 0.000 0.794 95 P CB 0.571 32.337 31.700 0.110 0.000 0.955 96 V N -0.611 119.301 119.914 -0.004 0.000 2.667 96 V HA 0.804 4.924 4.120 0.001 0.000 0.308 96 V C -0.493 175.544 176.094 -0.095 0.000 1.048 96 V CA -0.416 61.753 62.300 -0.218 0.000 0.928 96 V CB 1.774 33.340 31.823 -0.428 0.000 1.004 96 V HN 0.482 nan 8.190 nan 0.000 0.444 97 T N 4.657 119.051 114.554 -0.267 0.000 2.841 97 T HA 0.696 5.047 4.350 0.001 0.000 0.285 97 T C -0.828 173.660 174.700 -0.353 0.000 0.991 97 T CA 0.024 61.999 62.100 -0.208 0.000 0.966 97 T CB 0.918 69.628 68.868 -0.263 0.000 0.962 97 T HN 0.519 nan 8.240 nan 0.000 0.438 98 F N 2.018 121.975 119.950 0.012 0.000 2.403 98 F HA 0.713 5.240 4.527 0.001 0.000 0.326 98 F C 1.071 176.980 175.800 0.181 0.000 1.081 98 F CA -0.778 57.263 58.000 0.067 0.000 1.041 98 F CB 0.918 39.945 39.000 0.046 0.000 1.234 98 F HN 0.736 nan 8.300 nan 0.000 0.503 99 C N -0.571 118.991 119.300 0.437 0.000 3.154 99 C HA 0.833 5.293 4.460 0.001 0.000 0.312 99 C C -1.051 174.192 174.990 0.422 0.000 1.349 99 C CA -0.854 58.398 59.018 0.389 0.000 1.518 99 C CB 1.578 29.455 27.740 0.229 0.000 1.934 99 C HN 0.892 nan 8.230 nan 0.000 0.462 100 E N 0.222 120.632 120.200 0.351 0.000 2.244 100 E HA 0.680 5.030 4.350 0.001 0.000 0.266 100 E C -1.162 175.457 176.600 0.030 0.000 0.914 100 E CA -0.541 55.937 56.400 0.130 0.000 0.794 100 E CB 2.112 31.913 29.700 0.167 0.000 1.210 100 E HN 0.626 nan 8.360 nan 0.000 0.414 101 I N 2.705 123.133 120.570 -0.236 0.000 2.464 101 I HA 0.257 4.428 4.170 0.001 0.000 0.277 101 I C -1.159 174.767 176.117 -0.320 0.000 1.040 101 I CA -0.408 60.896 61.300 0.007 0.000 1.153 101 I CB 0.351 38.431 38.000 0.134 0.000 1.274 101 I HN 0.374 nan 8.210 nan 0.000 0.469 102 F N 7.176 127.107 119.950 -0.032 0.000 2.363 102 F HA 0.393 4.920 4.527 0.001 0.000 0.366 102 F C -2.042 173.590 175.800 -0.280 0.000 1.083 102 F CA -2.557 55.368 58.000 -0.125 0.000 1.176 102 F CB 0.600 39.514 39.000 -0.144 0.000 1.432 102 F HN 0.208 nan 8.300 nan 0.000 0.482 103 P HA 0.086 nan 4.420 nan 0.000 0.270 103 P C -1.817 175.524 177.300 0.068 0.000 1.223 103 P CA -0.905 62.279 63.100 0.140 0.000 0.785 103 P CB 0.735 32.586 31.700 0.251 0.000 0.923 104 P HA 0.066 nan 4.420 nan 0.000 0.240 104 P C 0.641 178.054 177.300 0.188 0.000 1.190 104 P CA 1.169 64.375 63.100 0.176 0.000 0.781 104 P CB -0.075 31.708 31.700 0.138 0.000 0.931 105 D N -0.790 119.562 120.400 -0.080 0.000 2.520 105 D HA 0.062 4.702 4.640 0.001 0.000 0.223 105 D C -0.139 175.969 176.300 -0.321 0.000 1.186 105 D CA -0.197 53.763 54.000 -0.067 0.000 0.821 105 D CB 0.172 40.969 40.800 -0.004 0.000 1.072 105 D HN 0.028 nan 8.370 nan 0.000 0.518 106 D N -0.374 119.548 120.400 -0.796 0.000 2.440 106 D HA 0.405 5.045 4.640 0.001 0.000 0.252 106 D C -1.478 174.370 176.300 -0.753 0.000 1.180 106 D CA -0.730 52.970 54.000 -0.500 0.000 0.894 106 D CB 0.180 40.859 40.800 -0.201 0.000 1.111 106 D HN 0.177 nan 8.370 nan 0.000 0.544 107 F N 3.721 123.757 119.950 0.143 0.000 2.531 107 F HA 0.376 4.904 4.527 0.001 0.000 0.333 107 F C -2.103 173.739 175.800 0.070 0.000 1.292 107 F CA -2.039 56.030 58.000 0.114 0.000 1.184 107 F CB 1.069 40.113 39.000 0.073 0.000 1.426 107 F HN 0.031 nan 8.300 nan 0.000 0.559 108 P HA 0.124 nan 4.420 nan 0.000 0.265 108 P C -0.451 176.739 177.300 -0.182 0.000 1.193 108 P CA 0.255 63.346 63.100 -0.015 0.000 0.765 108 P CB 0.898 32.645 31.700 0.078 0.000 0.823 109 L N 3.866 124.851 121.223 -0.397 0.000 2.329 109 L HA 0.436 4.776 4.340 0.001 0.000 0.279 109 L C -0.553 175.883 176.870 -0.723 0.000 1.014 109 L CA -0.678 53.891 54.840 -0.451 0.000 0.814 109 L CB 1.080 42.907 42.059 -0.387 0.000 1.257 109 L HN 0.360 nan 8.230 nan 0.000 0.424 110 Y N 2.406 122.681 120.300 -0.042 0.000 2.555 110 Y HA 0.401 4.952 4.550 0.001 0.000 0.326 110 Y C -0.540 175.467 175.900 0.178 0.000 0.984 110 Y CA -0.601 57.578 58.100 0.132 0.000 1.298 110 Y CB 0.666 39.279 38.460 0.256 0.000 1.094 110 Y HN 0.269 nan 8.280 nan 0.000 0.500 111 F N 2.285 122.398 119.950 0.270 0.000 2.410 111 F HA 0.332 4.859 4.527 0.001 0.000 0.348 111 F C -0.471 175.443 175.800 0.191 0.000 1.106 111 F CA -0.682 57.480 58.000 0.270 0.000 1.163 111 F CB 0.598 39.752 39.000 0.257 0.000 1.129 111 F HN 0.330 nan 8.300 nan 0.000 0.516 112 Y N 3.132 123.640 120.300 0.347 0.000 2.842 112 Y HA 0.432 4.982 4.550 0.001 0.000 0.334 112 Y C 0.380 176.390 175.900 0.183 0.000 1.019 112 Y CA -0.700 57.548 58.100 0.247 0.000 1.258 112 Y CB 0.779 39.379 38.460 0.235 0.000 1.106 112 Y HN 0.470 nan 8.280 nan 0.000 0.545 113 R N 0.881 121.504 120.500 0.205 0.000 2.690 113 R HA 0.213 4.554 4.340 0.001 0.000 0.419 113 R C -0.422 175.861 176.300 -0.027 0.000 1.090 113 R CA -0.213 55.927 56.100 0.066 0.000 1.064 113 R CB 0.829 31.106 30.300 -0.038 0.000 1.391 113 R HN 0.415 nan 8.270 nan 0.000 0.586 114 E N 1.129 121.350 120.200 0.036 0.000 2.214 114 E HA 0.183 4.534 4.350 0.001 0.000 0.274 114 E C -1.527 175.096 176.600 0.039 0.000 0.977 114 E CA -1.777 54.622 56.400 -0.001 0.000 0.827 114 E CB 1.471 31.187 29.700 0.027 0.000 1.130 114 E HN -0.031 nan 8.360 nan 0.000 0.394 115 P HA 0.025 nan 4.420 nan 0.000 0.231 115 P C -0.123 176.998 177.300 -0.298 0.000 1.168 115 P CA 0.824 63.873 63.100 -0.085 0.000 0.779 115 P CB 0.966 32.674 31.700 0.013 0.000 0.844 116 K N -0.123 119.927 120.400 -0.583 0.000 2.543 116 K HA 0.568 4.888 4.320 0.001 0.000 0.255 116 K C -1.328 174.875 176.600 -0.663 0.000 0.934 116 K CA -0.752 55.075 56.287 -0.768 0.000 0.810 116 K CB 2.451 34.269 32.500 -1.137 0.000 1.315 116 K HN -0.127 nan 8.250 nan 0.000 0.433 117 A N 4.676 127.260 122.820 -0.394 0.000 2.425 117 A HA 0.322 4.643 4.320 0.001 0.000 0.249 117 A C -1.905 175.592 177.584 -0.145 0.000 1.084 117 A CA -1.219 50.695 52.037 -0.206 0.000 0.781 117 A CB 0.051 18.939 19.000 -0.186 0.000 1.019 117 A HN 0.631 nan 8.150 nan 0.000 0.490 118 P HA -0.264 nan 4.420 nan 0.000 0.218 118 P C 0.761 178.072 177.300 0.020 0.000 1.154 118 P CA 2.095 65.245 63.100 0.084 0.000 0.872 118 P CB -0.067 31.694 31.700 0.101 0.000 0.790 119 D N -0.931 119.460 120.400 -0.014 0.000 2.263 119 D HA -0.149 4.491 4.640 0.001 0.000 0.208 119 D C 1.443 177.714 176.300 -0.048 0.000 0.971 119 D CA 0.942 54.932 54.000 -0.016 0.000 0.867 119 D CB -1.226 39.571 40.800 -0.006 0.000 0.929 119 D HN 0.204 nan 8.370 nan 0.000 0.492 120 L N -0.826 120.328 121.223 -0.115 0.000 2.611 120 L HA 0.225 4.565 4.340 0.001 0.000 0.229 120 L C 1.120 177.924 176.870 -0.110 0.000 1.137 120 L CA -0.014 54.734 54.840 -0.152 0.000 0.901 120 L CB -0.143 41.760 42.059 -0.260 0.000 1.098 120 L HN -0.028 nan 8.230 nan 0.000 0.456 121 N N 0.441 119.113 118.700 -0.047 0.000 2.214 121 N HA 0.155 4.896 4.740 0.001 0.000 0.214 121 N C 0.350 175.865 175.510 0.008 0.000 1.132 121 N CA -0.271 52.784 53.050 0.009 0.000 0.856 121 N CB 0.245 38.798 38.487 0.110 0.000 1.020 121 N HN 0.257 nan 8.380 nan 0.000 0.509 122 I N -1.319 119.245 120.570 -0.010 0.000 2.752 122 I HA 0.170 4.341 4.170 0.001 0.000 0.287 122 I C -0.138 175.954 176.117 -0.042 0.000 1.188 122 I CA 0.012 61.301 61.300 -0.019 0.000 1.427 122 I CB 0.642 38.627 38.000 -0.026 0.000 1.365 122 I HN -0.073 nan 8.210 nan 0.000 0.585 123 E N 3.144 123.317 120.200 -0.045 0.000 2.256 123 E HA 0.227 4.577 4.350 0.001 0.000 0.267 123 E C 0.497 177.049 176.600 -0.079 0.000 0.892 123 E CA -0.458 55.908 56.400 -0.057 0.000 0.775 123 E CB 2.037 31.717 29.700 -0.034 0.000 1.207 123 E HN 0.817 nan 8.360 nan 0.000 0.420 124 S N 1.216 116.859 115.700 -0.095 0.000 2.419 124 S HA -0.196 4.274 4.470 0.001 0.000 0.233 124 S C 1.970 176.516 174.600 -0.090 0.000 1.016 124 S CA 0.959 59.091 58.200 -0.113 0.000 0.974 124 S CB -0.260 62.873 63.200 -0.112 0.000 0.786 124 S HN 0.580 nan 8.310 nan 0.000 0.492 125 A N 2.410 125.194 122.820 -0.060 0.000 2.032 125 A HA -0.181 4.139 4.320 0.001 0.000 0.221 125 A C 1.780 179.349 177.584 -0.024 0.000 1.165 125 A CA 1.836 53.852 52.037 -0.036 0.000 0.645 125 A CB -0.862 18.125 19.000 -0.022 0.000 0.807 125 A HN 0.525 nan 8.150 nan 0.000 0.453 126 D N -1.362 119.019 120.400 -0.031 0.000 2.310 126 D HA 0.089 4.729 4.640 0.001 0.000 0.212 126 D C 0.503 176.796 176.300 -0.012 0.000 0.965 126 D CA 0.711 54.711 54.000 0.001 0.000 0.879 126 D CB 0.048 40.848 40.800 -0.001 0.000 0.921 126 D HN 0.247 nan 8.370 nan 0.000 0.510 127 V N -0.590 119.236 119.914 -0.147 0.000 3.001 127 V HA 0.358 4.479 4.120 0.001 0.000 0.314 127 V C -0.757 175.163 176.094 -0.290 0.000 1.099 127 V CA -0.967 61.070 62.300 -0.438 0.000 0.989 127 V CB 2.304 33.794 31.823 -0.554 0.000 1.040 127 V HN -0.049 nan 8.190 nan 0.000 0.434 128 S N 4.193 119.673 115.700 -0.367 0.000 2.448 128 S HA 0.298 4.768 4.470 0.001 0.000 0.279 128 S C 0.936 175.450 174.600 -0.142 0.000 1.195 128 S CA -0.413 57.723 58.200 -0.107 0.000 1.051 128 S CB 0.190 63.439 63.200 0.081 0.000 0.948 128 S HN 0.626 nan 8.310 nan 0.000 0.493 129 L N 3.717 124.884 121.223 -0.093 0.000 2.275 129 L HA -0.032 4.309 4.340 0.001 0.000 0.215 129 L C 1.903 178.749 176.870 -0.040 0.000 1.119 129 L CA 0.677 55.470 54.840 -0.078 0.000 0.790 129 L CB -0.373 41.649 42.059 -0.063 0.000 0.919 129 L HN 0.567 nan 8.230 nan 0.000 0.443 130 D N 0.167 120.559 120.400 -0.015 0.000 2.097 130 D HA -0.222 4.419 4.640 0.001 0.000 0.195 130 D C 1.758 178.071 176.300 0.022 0.000 0.989 130 D CA 1.423 55.428 54.000 0.007 0.000 0.827 130 D CB -0.118 40.695 40.800 0.021 0.000 0.966 130 D HN 0.251 nan 8.370 nan 0.000 0.456 131 D N 0.248 120.672 120.400 0.040 0.000 2.117 131 D HA -0.111 4.529 4.640 0.001 0.000 0.197 131 D C 2.162 178.488 176.300 0.044 0.000 0.987 131 D CA 0.360 54.412 54.000 0.087 0.000 0.829 131 D CB -0.064 40.856 40.800 0.201 0.000 0.961 131 D HN -0.050 nan 8.370 nan 0.000 0.460 132 V N 0.652 120.550 119.914 -0.027 0.000 2.324 132 V HA -0.269 3.851 4.120 0.001 0.000 0.250 132 V C 2.586 178.678 176.094 -0.003 0.000 1.060 132 V CA 2.041 64.319 62.300 -0.037 0.000 1.042 132 V CB -0.384 31.386 31.823 -0.090 0.000 0.650 132 V HN 0.223 nan 8.190 nan 0.000 0.450 133 R N -0.660 119.839 120.500 -0.002 0.000 2.093 133 R HA -0.052 4.288 4.340 0.001 0.000 0.224 133 R C 2.239 178.549 176.300 0.018 0.000 1.101 133 R CA 0.963 57.066 56.100 0.005 0.000 0.979 133 R CB -0.158 30.142 30.300 -0.001 0.000 0.877 133 R HN 0.479 nan 8.270 nan 0.000 0.441 134 E N 0.792 121.009 120.200 0.028 0.000 2.230 134 E HA 0.080 4.430 4.350 0.001 0.000 0.192 134 E C 0.451 177.080 176.600 0.049 0.000 0.987 134 E CA 0.215 56.634 56.400 0.032 0.000 0.841 134 E CB 0.018 29.737 29.700 0.031 0.000 0.783 134 E HN 0.198 nan 8.360 nan 0.000 0.481 135 A N 1.879 124.743 122.820 0.074 0.000 2.565 135 A HA -0.079 4.241 4.320 0.001 0.000 0.237 135 A C 0.489 178.125 177.584 0.086 0.000 1.053 135 A CA 0.288 52.386 52.037 0.102 0.000 0.755 135 A CB 0.010 19.091 19.000 0.135 0.000 0.980 135 A HN -0.023 nan 8.150 nan 0.000 0.506 136 D N 0.936 121.387 120.400 0.086 0.000 2.123 136 D HA -0.040 4.600 4.640 0.001 0.000 0.196 136 D C 0.270 176.654 176.300 0.140 0.000 0.992 136 D CA 1.523 55.573 54.000 0.083 0.000 0.833 136 D CB -0.048 40.789 40.800 0.062 0.000 0.954 136 D HN 0.585 nan 8.370 nan 0.000 0.455 137 I N 0.571 121.232 120.570 0.152 0.000 2.466 137 I HA 0.262 4.433 4.170 0.001 0.000 0.289 137 I C -1.288 174.960 176.117 0.218 0.000 1.026 137 I CA -1.042 60.382 61.300 0.206 0.000 1.078 137 I CB 2.481 40.591 38.000 0.185 0.000 1.249 137 I HN -0.110 nan 8.210 nan 0.000 0.429 138 L N 7.133 128.503 121.223 0.245 0.000 2.287 138 L HA 0.481 4.821 4.340 0.001 0.000 0.287 138 L C -1.264 175.851 176.870 0.408 0.000 1.022 138 L CA -0.041 54.964 54.840 0.274 0.000 0.814 138 L CB 1.369 43.547 42.059 0.198 0.000 1.217 138 L HN 0.570 nan 8.230 nan 0.000 0.420 139 W N 7.870 129.317 121.300 0.245 0.000 2.587 139 W HA 0.502 5.163 4.660 0.001 0.000 0.324 139 W C -1.715 175.032 176.519 0.381 0.000 1.040 139 W CA -0.816 56.685 57.345 0.261 0.000 1.222 139 W CB 1.753 31.312 29.460 0.164 0.000 1.381 139 W HN 0.536 nan 8.180 nan 0.000 0.483 140 F N 1.991 121.955 119.950 0.023 0.000 2.715 140 F HA 0.765 5.292 4.527 0.001 0.000 0.318 140 F C -0.845 175.085 175.800 0.218 0.000 1.141 140 F CA -0.981 57.152 58.000 0.222 0.000 0.950 140 F CB 1.333 40.493 39.000 0.268 0.000 1.374 140 F HN 0.176 nan 8.300 nan 0.000 0.477 141 T N -0.184 114.646 114.554 0.460 0.000 2.908 141 T HA 0.429 4.780 4.350 0.001 0.000 0.290 141 T C 0.229 175.308 174.700 0.631 0.000 1.034 141 T CA -0.590 61.753 62.100 0.406 0.000 1.010 141 T CB 1.784 70.883 68.868 0.385 0.000 1.068 141 T HN 1.019 nan 8.240 nan 0.000 0.481 142 L N 2.230 123.856 121.223 0.672 0.000 2.083 142 L HA 0.046 4.387 4.340 0.001 0.000 0.209 142 L C 2.500 179.813 176.870 0.738 0.000 1.083 142 L CA 2.156 57.460 54.840 0.773 0.000 0.752 142 L CB -1.412 40.990 42.059 0.572 0.000 0.899 142 L HN 0.966 nan 8.230 nan 0.000 0.433 143 T N -0.350 114.525 114.554 0.535 0.000 2.778 143 T HA -0.172 4.178 4.350 0.001 0.000 0.269 143 T C 1.699 176.422 174.700 0.039 0.000 1.050 143 T CA 1.257 63.540 62.100 0.305 0.000 1.137 143 T CB -0.914 68.107 68.868 0.255 0.000 0.860 143 T HN 0.638 nan 8.240 nan 0.000 0.468 144 G N 0.249 109.068 108.800 0.032 0.000 2.462 144 G HA2 -0.157 3.803 3.960 0.001 0.000 0.220 144 G HA3 -0.157 3.803 3.960 0.001 0.000 0.220 144 G C 0.909 175.389 174.900 -0.700 0.000 1.121 144 G CA 0.350 45.163 45.100 -0.478 0.000 0.758 144 G HN 0.524 nan 8.290 nan 0.000 0.559 145 F N 1.337 121.126 119.950 -0.268 0.000 2.765 145 F HA 0.136 4.663 4.527 0.001 0.000 0.302 145 F C 2.570 178.240 175.800 -0.216 0.000 1.111 145 F CA 0.440 58.378 58.000 -0.103 0.000 1.359 145 F CB 0.337 39.454 39.000 0.195 0.000 1.097 145 F HN 0.181 nan 8.300 nan 0.000 0.577 146 S N -1.545 113.871 115.700 -0.473 0.000 2.436 146 S HA 0.024 4.494 4.470 0.001 0.000 0.228 146 S C 0.545 174.772 174.600 -0.622 0.000 1.014 146 S CA 0.551 58.042 58.200 -1.181 0.000 0.950 146 S CB 0.033 62.423 63.200 -1.350 0.000 0.784 146 S HN 0.159 nan 8.310 nan 0.000 0.504 147 E N 0.655 120.618 120.200 -0.394 0.000 2.356 147 E HA 0.403 4.754 4.350 0.001 0.000 0.275 147 E C -1.197 175.281 176.600 -0.203 0.000 0.904 147 E CA -0.593 55.643 56.400 -0.272 0.000 0.757 147 E CB 1.636 31.162 29.700 -0.290 0.000 1.232 147 E HN 0.214 nan 8.360 nan 0.000 0.442 148 E N 2.246 122.357 120.200 -0.148 0.000 2.343 148 E HA 0.167 4.517 4.350 0.001 0.000 0.269 148 E C -1.567 174.970 176.600 -0.104 0.000 1.047 148 E CA -1.606 54.724 56.400 -0.118 0.000 0.874 148 E CB 0.908 30.557 29.700 -0.085 0.000 1.033 148 E HN 0.213 nan 8.360 nan 0.000 0.409 149 P HA -0.032 nan 4.420 nan 0.000 0.236 149 P C 1.269 178.507 177.300 -0.104 0.000 1.177 149 P CA 0.493 63.544 63.100 -0.082 0.000 0.773 149 P CB 0.487 32.155 31.700 -0.053 0.000 0.878 150 S N 0.484 116.118 115.700 -0.110 0.000 2.383 150 S HA -0.204 4.267 4.470 0.001 0.000 0.229 150 S C 2.221 176.731 174.600 -0.151 0.000 1.030 150 S CA 1.108 59.258 58.200 -0.083 0.000 1.002 150 S CB -0.715 62.426 63.200 -0.098 0.000 0.829 150 S HN 0.075 nan 8.310 nan 0.000 0.467 151 R N 0.093 120.438 120.500 -0.258 0.000 2.080 151 R HA -0.082 4.258 4.340 0.001 0.000 0.236 151 R C 2.442 178.540 176.300 -0.338 0.000 1.137 151 R CA 1.804 57.689 56.100 -0.358 0.000 0.943 151 R CB -1.135 29.057 30.300 -0.181 0.000 0.846 151 R HN 0.488 nan 8.270 nan 0.000 0.431 152 G N -0.806 107.857 108.800 -0.227 0.000 2.422 152 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 152 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 152 G C 1.308 176.082 174.900 -0.211 0.000 1.146 152 G CA 1.190 46.163 45.100 -0.212 0.000 0.769 152 G HN 0.377 nan 8.290 nan 0.000 0.547 153 T N 0.312 114.755 114.554 -0.184 0.000 2.737 153 T HA -0.079 4.271 4.350 0.001 0.000 0.265 153 T C 2.088 176.623 174.700 -0.276 0.000 1.038 153 T CA 1.561 63.547 62.100 -0.190 0.000 1.144 153 T CB -0.332 68.444 68.868 -0.153 0.000 0.866 153 T HN 0.416 nan 8.240 nan 0.000 0.434 154 H N 0.990 119.789 119.070 -0.451 0.000 2.352 154 H HA 0.041 4.598 4.556 0.001 0.000 0.299 154 H C 2.566 177.628 175.328 -0.443 0.000 1.097 154 H CA 1.435 57.131 56.048 -0.587 0.000 1.311 154 H CB -0.051 29.001 29.762 -1.184 0.000 1.377 154 H HN 0.211 nan 8.280 nan 0.000 0.504 155 R N 0.098 120.375 120.500 -0.371 0.000 2.081 155 R HA -0.143 4.197 4.340 0.001 0.000 0.235 155 R C 2.302 178.518 176.300 -0.139 0.000 1.131 155 R CA 1.470 57.324 56.100 -0.410 0.000 0.960 155 R CB -0.093 29.772 30.300 -0.725 0.000 0.856 155 R HN 0.471 nan 8.270 nan 0.000 0.436 156 E N 0.989 121.091 120.200 -0.162 0.000 2.038 156 E HA -0.208 4.142 4.350 0.001 0.000 0.195 156 E C 1.899 178.443 176.600 -0.092 0.000 1.000 156 E CA 1.334 57.673 56.400 -0.101 0.000 0.803 156 E CB -0.046 29.586 29.700 -0.113 0.000 0.750 156 E HN 0.267 nan 8.360 nan 0.000 0.448 157 I N 0.688 121.165 120.570 -0.154 0.000 2.163 157 I HA -0.304 3.866 4.170 0.001 0.000 0.243 157 I C 2.391 178.434 176.117 -0.123 0.000 1.085 157 I CA 1.056 62.256 61.300 -0.168 0.000 1.347 157 I CB -0.194 37.643 38.000 -0.272 0.000 1.044 157 I HN 0.233 nan 8.210 nan 0.000 0.408 158 L N -0.251 120.900 121.223 -0.120 0.000 2.217 158 L HA -0.149 4.191 4.340 0.001 0.000 0.211 158 L C 2.537 179.408 176.870 0.003 0.000 1.107 158 L CA 1.104 55.899 54.840 -0.074 0.000 0.783 158 L CB -0.804 41.212 42.059 -0.071 0.000 0.919 158 L HN 0.258 nan 8.230 nan 0.000 0.442 159 T N -1.679 112.904 114.554 0.048 0.000 2.701 159 T HA -0.218 4.133 4.350 0.001 0.000 0.263 159 T C 1.967 176.696 174.700 0.048 0.000 1.040 159 T CA 2.063 64.212 62.100 0.080 0.000 1.147 159 T CB -0.246 68.689 68.868 0.111 0.000 0.865 159 T HN 0.263 nan 8.240 nan 0.000 0.426 160 T N 0.954 115.514 114.554 0.011 0.000 2.821 160 T HA -0.104 4.246 4.350 0.001 0.000 0.267 160 T C 2.147 176.846 174.700 -0.003 0.000 1.046 160 T CA 1.229 63.328 62.100 -0.002 0.000 1.139 160 T CB -0.213 68.643 68.868 -0.021 0.000 0.871 160 T HN 0.152 nan 8.240 nan 0.000 0.454 161 R N 1.479 121.973 120.500 -0.010 0.000 2.117 161 R HA 0.026 4.366 4.340 0.001 0.000 0.243 161 R C 1.337 177.645 176.300 0.013 0.000 1.143 161 R CA 1.678 57.777 56.100 -0.001 0.000 0.968 161 R CB -0.951 29.346 30.300 -0.007 0.000 0.863 161 R HN 0.431 nan 8.270 nan 0.000 0.444 162 A N -0.545 122.292 122.820 0.028 0.000 2.869 162 A HA -0.250 4.070 4.320 0.001 0.000 0.280 162 A C 0.161 177.747 177.584 0.004 0.000 1.458 162 A CA 0.985 53.036 52.037 0.023 0.000 0.776 162 A CB -2.483 16.522 19.000 0.010 0.000 1.028 162 A HN 0.755 nan 8.150 nan 0.000 0.547 163 N N -2.220 116.489 118.700 0.016 0.000 2.725 163 N HA -0.196 4.545 4.740 0.001 0.000 0.249 163 N C 0.017 175.526 175.510 -0.002 0.000 1.103 163 N CA 1.710 54.764 53.050 0.006 0.000 0.707 163 N CB -1.370 37.096 38.487 -0.035 0.000 1.043 163 N HN 0.954 nan 8.380 nan 0.000 0.553 164 R N 0.696 121.197 120.500 0.000 0.000 2.640 164 R HA 0.109 4.450 4.340 0.001 0.000 0.270 164 R C 0.421 176.697 176.300 -0.040 0.000 1.024 164 R CA -0.039 56.047 56.100 -0.022 0.000 1.085 164 R CB 0.451 30.744 30.300 -0.012 0.000 0.963 164 R HN 0.188 nan 8.270 nan 0.000 0.426 165 R N 2.931 123.359 120.500 -0.120 0.000 2.449 165 R HA 0.029 4.369 4.340 0.001 0.000 0.296 165 R C -0.189 175.925 176.300 -0.309 0.000 1.047 165 R CA 0.230 56.155 56.100 -0.291 0.000 1.018 165 R CB 0.292 30.328 30.300 -0.440 0.000 0.962 165 R HN 0.510 nan 8.270 nan 0.000 0.428 166 H N 1.386 120.479 119.070 0.040 0.000 2.457 166 H HA 0.240 4.797 4.556 0.001 0.000 0.335 166 H C -0.284 175.103 175.328 0.098 0.000 1.115 166 H CA -0.544 55.539 56.048 0.058 0.000 1.219 166 H CB 2.137 31.931 29.762 0.054 0.000 1.471 166 H HN 0.420 nan 8.280 nan 0.000 0.491 167 T N 4.657 119.339 114.554 0.213 0.000 2.892 167 T HA 0.370 4.721 4.350 0.001 0.000 0.311 167 T C 0.493 175.335 174.700 0.237 0.000 1.033 167 T CA -0.526 61.717 62.100 0.238 0.000 0.991 167 T CB 0.155 69.145 68.868 0.203 0.000 0.981 167 T HN 0.361 nan 8.240 nan 0.000 0.457 168 I N 3.748 124.421 120.570 0.173 0.000 2.339 168 I HA 0.409 4.579 4.170 0.001 0.000 0.290 168 I C -0.732 175.103 176.117 -0.469 0.000 0.994 168 I CA -0.923 60.316 61.300 -0.103 0.000 1.191 168 I CB 1.151 39.062 38.000 -0.149 0.000 1.343 168 I HN 0.449 nan 8.210 nan 0.000 0.458 169 F N 6.729 126.262 119.950 -0.695 0.000 2.334 169 F HA 0.323 4.851 4.527 0.001 0.000 0.367 169 F C 0.046 175.380 175.800 -0.777 0.000 1.115 169 F CA -1.493 55.857 58.000 -1.083 0.000 1.116 169 F CB 0.482 39.118 39.000 -0.607 0.000 1.230 169 F HN 0.389 nan 8.300 nan 0.000 0.484 170 D N 6.096 126.129 120.400 -0.612 0.000 2.336 170 D HA 0.109 4.749 4.640 0.001 0.000 0.249 170 D C 1.041 177.138 176.300 -0.339 0.000 1.213 170 D CA 0.042 53.804 54.000 -0.396 0.000 0.870 170 D CB 0.734 41.447 40.800 -0.145 0.000 1.076 170 D HN 0.682 nan 8.370 nan 0.000 0.483 171 L N 2.468 123.381 121.223 -0.516 0.000 2.622 171 L HA -0.031 4.309 4.340 0.001 0.000 0.233 171 L C 0.724 177.520 176.870 -0.123 0.000 1.156 171 L CA 0.026 54.526 54.840 -0.565 0.000 0.866 171 L CB -0.649 41.076 42.059 -0.556 0.000 0.980 171 L HN 0.489 nan 8.230 nan 0.000 0.448 172 D N 0.731 121.138 120.400 0.011 0.000 3.939 172 D HA -0.302 4.338 4.640 0.001 0.000 0.187 172 D C -0.505 175.945 176.300 0.251 0.000 1.256 172 D CA 0.693 54.786 54.000 0.154 0.000 0.750 172 D CB -0.536 40.400 40.800 0.226 0.000 0.973 172 D HN 0.229 nan 8.370 nan 0.000 0.481 173 Y N 3.206 123.536 120.300 0.050 0.000 2.342 173 Y HA 0.481 5.031 4.550 0.001 0.000 0.338 173 Y C -0.328 175.585 175.900 0.021 0.000 0.965 173 Y CA -0.947 57.181 58.100 0.046 0.000 1.159 173 Y CB 0.852 39.268 38.460 -0.072 0.000 1.157 173 Y HN 0.126 nan 8.280 nan 0.000 0.486 174 R N 8.280 128.468 120.500 -0.520 0.000 2.435 174 R HA 0.345 4.685 4.340 0.001 0.000 0.308 174 R C -2.615 173.226 176.300 -0.764 0.000 0.975 174 R CA -1.934 53.754 56.100 -0.687 0.000 0.867 174 R CB 1.582 31.342 30.300 -0.899 0.000 1.171 174 R HN 0.511 nan 8.270 nan 0.000 0.470 178 W N 2.122 123.475 121.300 0.088 0.000 2.689 178 W HA 0.550 5.211 4.660 0.001 0.000 0.340 178 W C 1.468 178.025 176.519 0.064 0.000 1.060 178 W CA -0.412 56.986 57.345 0.088 0.000 1.218 178 W CB 0.836 30.384 29.460 0.148 0.000 1.410 178 W HN -0.292 nan 8.180 nan 0.000 0.528 179 E N 0.832 121.204 120.200 0.286 0.000 2.153 179 E HA -0.092 4.258 4.350 0.001 0.000 0.194 179 E C 0.506 177.227 176.600 0.201 0.000 0.988 179 E CA 1.229 57.742 56.400 0.189 0.000 0.811 179 E CB 0.038 29.821 29.700 0.138 0.000 0.746 179 E HN 0.377 nan 8.360 nan 0.000 0.466 180 S N -1.916 113.945 115.700 0.268 0.000 2.565 180 S HA 0.300 4.770 4.470 0.001 0.000 0.269 180 S C -2.543 172.159 174.600 0.170 0.000 1.153 180 S CA -1.177 57.135 58.200 0.187 0.000 0.835 180 S CB 2.251 65.521 63.200 0.116 0.000 1.122 180 S HN -0.310 nan 8.310 nan 0.000 0.462 181 P HA -0.055 nan 4.420 nan 0.000 0.218 181 P C 0.877 178.086 177.300 -0.151 0.000 1.148 181 P CA 1.404 64.471 63.100 -0.055 0.000 0.822 181 P CB -0.016 31.641 31.700 -0.072 0.000 0.784 182 E N 0.055 120.218 120.200 -0.062 0.000 2.072 182 E HA -0.170 4.181 4.350 0.001 0.000 0.191 182 E C 2.141 178.710 176.600 -0.051 0.000 0.985 182 E CA 0.930 57.295 56.400 -0.058 0.000 0.801 182 E CB -0.745 28.948 29.700 -0.012 0.000 0.750 182 E HN 0.407 nan 8.360 nan 0.000 0.452 183 E N 0.161 120.368 120.200 0.012 0.000 2.051 183 E HA -0.226 4.124 4.350 0.001 0.000 0.192 183 E C 1.985 178.518 176.600 -0.111 0.000 0.991 183 E CA 1.122 57.582 56.400 0.099 0.000 0.799 183 E CB -0.099 29.793 29.700 0.320 0.000 0.748 183 E HN 0.252 nan 8.360 nan 0.000 0.449 184 A N 0.332 122.811 122.820 -0.570 0.000 1.877 184 A HA -0.173 4.148 4.320 0.001 0.000 0.216 184 A C 2.388 179.621 177.584 -0.585 0.000 1.186 184 A CA 2.118 53.380 52.037 -1.291 0.000 0.620 184 A CB -0.985 17.136 19.000 -1.464 0.000 0.822 184 A HN 0.326 nan 8.150 nan 0.000 0.443 185 T N -0.285 114.039 114.554 -0.383 0.000 2.720 185 T HA -0.178 4.173 4.350 0.001 0.000 0.268 185 T C 1.967 176.599 174.700 -0.114 0.000 1.037 185 T CA 1.814 63.775 62.100 -0.231 0.000 1.144 185 T CB -0.216 68.537 68.868 -0.192 0.000 0.864 185 T HN 0.620 nan 8.240 nan 0.000 0.444 186 K N 0.573 120.929 120.400 -0.073 0.000 2.044 186 K HA -0.176 4.144 4.320 0.001 0.000 0.210 186 K C 2.518 179.148 176.600 0.049 0.000 1.049 186 K CA 1.280 57.574 56.287 0.011 0.000 0.927 186 K CB -0.012 32.511 32.500 0.039 0.000 0.713 186 K HN 0.177 nan 8.250 nan 0.000 0.443 187 Q N -0.177 119.636 119.800 0.022 0.000 2.046 187 Q HA -0.063 4.277 4.340 0.001 0.000 0.200 187 Q C 2.223 178.160 176.000 -0.105 0.000 0.975 187 Q CA 1.514 57.325 55.803 0.014 0.000 0.836 187 Q CB -0.447 28.405 28.738 0.189 0.000 0.896 187 Q HN 0.441 nan 8.270 nan 0.000 0.428 188 A N 1.277 124.074 122.820 -0.039 0.000 1.908 188 A HA -0.253 4.067 4.320 0.001 0.000 0.218 188 A C 2.102 179.787 177.584 0.169 0.000 1.181 188 A CA 1.953 54.078 52.037 0.147 0.000 0.627 188 A CB -0.478 18.556 19.000 0.057 0.000 0.818 188 A HN 0.355 nan 8.150 nan 0.000 0.445 189 E N -0.953 119.299 120.200 0.087 0.000 2.058 189 E HA -0.236 4.115 4.350 0.001 0.000 0.194 189 E C 1.698 178.380 176.600 0.136 0.000 0.997 189 E CA 1.756 58.209 56.400 0.089 0.000 0.801 189 E CB -0.553 29.184 29.700 0.061 0.000 0.746 189 E HN 0.705 nan 8.360 nan 0.000 0.450 190 W N 0.686 121.988 121.300 0.005 0.000 2.354 190 W HA -0.149 4.512 4.660 0.001 0.000 0.315 190 W C 2.322 178.910 176.519 0.116 0.000 1.206 190 W CA 2.681 60.066 57.345 0.066 0.000 1.290 190 W CB -0.629 28.855 29.460 0.039 0.000 1.152 190 W HN 0.175 nan 8.180 nan 0.000 0.489 191 A N 0.067 123.042 122.820 0.258 0.000 1.933 191 A HA -0.191 4.129 4.320 0.001 0.000 0.218 191 A C 2.014 179.641 177.584 0.072 0.000 1.175 191 A CA 1.754 53.804 52.037 0.021 0.000 0.628 191 A CB -1.072 17.475 19.000 -0.754 0.000 0.814 191 A HN 0.419 nan 8.150 nan 0.000 0.444 192 L N -0.684 120.656 121.223 0.195 0.000 2.131 192 L HA -0.200 4.141 4.340 0.001 0.000 0.210 192 L C 2.570 179.452 176.870 0.019 0.000 1.092 192 L CA 0.998 55.965 54.840 0.212 0.000 0.759 192 L CB -0.379 41.784 42.059 0.173 0.000 0.903 192 L HN 0.410 nan 8.230 nan 0.000 0.435 193 Q N -0.754 118.969 119.800 -0.128 0.000 2.436 193 Q HA -0.116 4.224 4.340 0.001 0.000 0.209 193 Q C 0.670 176.296 176.000 -0.622 0.000 0.965 193 Q CA 1.049 56.633 55.803 -0.365 0.000 0.910 193 Q CB -0.010 28.436 28.738 -0.487 0.000 0.980 193 Q HN 0.652 nan 8.270 nan 0.000 0.491 194 H N -1.369 117.523 119.070 -0.295 0.000 2.486 194 H HA 0.322 4.879 4.556 0.001 0.000 0.284 194 H C -0.328 174.973 175.328 -0.046 0.000 1.103 194 H CA -0.157 55.745 56.048 -0.244 0.000 1.089 194 H CB 0.783 30.286 29.762 -0.432 0.000 1.603 194 H HN -0.117 nan 8.280 nan 0.000 0.557 195 S N -0.568 115.191 115.700 0.099 0.000 2.536 195 S HA 0.224 4.695 4.470 0.001 0.000 0.298 195 S C 1.123 175.786 174.600 0.104 0.000 1.083 195 S CA -0.390 57.923 58.200 0.188 0.000 0.995 195 S CB 1.869 65.250 63.200 0.301 0.000 1.058 195 S HN 0.527 nan 8.310 nan 0.000 0.488 196 T N -1.489 113.132 114.554 0.113 0.000 3.023 196 T HA 0.273 4.624 4.350 0.001 0.000 0.249 196 T C 0.309 175.062 174.700 0.089 0.000 1.050 196 T CA 0.187 62.336 62.100 0.081 0.000 1.088 196 T CB -0.033 68.879 68.868 0.074 0.000 0.946 196 T HN 0.324 nan 8.240 nan 0.000 0.480 197 V N 1.228 121.200 119.914 0.096 0.000 2.789 197 V HA 0.836 4.957 4.120 0.001 0.000 0.311 197 V C -0.545 175.555 176.094 0.010 0.000 1.073 197 V CA -1.184 61.149 62.300 0.054 0.000 0.921 197 V CB 1.563 33.420 31.823 0.058 0.000 1.009 197 V HN 0.602 nan 8.190 nan 0.000 0.426 198 A N 3.521 126.323 122.820 -0.030 0.000 2.356 198 A HA 0.904 5.224 4.320 0.001 0.000 0.310 198 A C -1.142 176.360 177.584 -0.138 0.000 1.075 198 A CA -0.573 51.390 52.037 -0.124 0.000 0.746 198 A CB 1.809 20.738 19.000 -0.119 0.000 1.221 198 A HN 0.778 nan 8.150 nan 0.000 0.443 199 V N 1.706 121.492 119.914 -0.214 0.000 2.443 199 V HA 0.838 4.958 4.120 0.001 0.000 0.293 199 V C 0.456 176.434 176.094 -0.192 0.000 1.021 199 V CA 0.165 62.387 62.300 -0.130 0.000 0.848 199 V CB 1.320 33.129 31.823 -0.025 0.000 0.998 199 V HN 1.411 nan 8.190 nan 0.000 0.424 200 G N 3.295 111.999 108.800 -0.159 0.000 2.698 200 G HA2 0.548 4.508 3.960 0.001 0.000 0.293 200 G HA3 0.548 4.508 3.960 0.001 0.000 0.293 200 G C -1.011 173.815 174.900 -0.123 0.000 1.437 200 G CA -0.767 44.239 45.100 -0.156 0.000 0.852 200 G HN 0.706 nan 8.290 nan 0.000 0.499 201 N N -0.307 118.333 118.700 -0.100 0.000 2.381 201 N HA 0.234 4.975 4.740 0.001 0.000 0.289 201 N C 1.123 176.590 175.510 -0.072 0.000 1.288 201 N CA -0.387 52.615 53.050 -0.080 0.000 0.960 201 N CB 0.684 39.137 38.487 -0.057 0.000 1.116 201 N HN 0.469 nan 8.380 nan 0.000 0.557 202 K N -0.571 119.797 120.400 -0.053 0.000 2.025 202 K HA -0.128 4.192 4.320 0.001 0.000 0.207 202 K C 1.746 178.310 176.600 -0.061 0.000 1.049 202 K CA 1.282 57.537 56.287 -0.053 0.000 0.933 202 K CB -0.221 32.257 32.500 -0.037 0.000 0.714 202 K HN 0.681 nan 8.250 nan 0.000 0.438 203 E N 1.424 121.601 120.200 -0.039 0.000 2.058 203 E HA -0.252 4.099 4.350 0.001 0.000 0.194 203 E C 1.737 178.280 176.600 -0.095 0.000 0.997 203 E CA 1.501 57.879 56.400 -0.037 0.000 0.801 203 E CB 0.139 29.865 29.700 0.042 0.000 0.746 203 E HN 0.287 nan 8.360 nan 0.000 0.450 204 E N -0.346 119.813 120.200 -0.069 0.000 2.051 204 E HA -0.195 4.155 4.350 0.001 0.000 0.192 204 E C 2.287 178.772 176.600 -0.191 0.000 0.991 204 E CA 1.450 57.780 56.400 -0.117 0.000 0.799 204 E CB -0.122 29.527 29.700 -0.086 0.000 0.748 204 E HN 0.381 nan 8.360 nan 0.000 0.449 205 C N 0.756 119.961 119.300 -0.159 0.000 2.435 205 C HA -0.071 4.390 4.460 0.001 0.000 0.279 205 C C 2.579 177.475 174.990 -0.156 0.000 1.321 205 C CA 0.599 59.522 59.018 -0.158 0.000 1.752 205 C CB -0.621 27.047 27.740 -0.121 0.000 1.959 205 C HN 0.459 nan 8.230 nan 0.000 0.500 206 E N 1.638 121.746 120.200 -0.154 0.000 2.031 206 E HA -0.151 4.199 4.350 0.001 0.000 0.193 206 E C 1.968 178.436 176.600 -0.220 0.000 0.994 206 E CA 1.470 57.775 56.400 -0.158 0.000 0.800 206 E CB -0.404 29.214 29.700 -0.137 0.000 0.752 206 E HN 0.387 nan 8.360 nan 0.000 0.447 207 I N 0.880 121.256 120.570 -0.324 0.000 2.151 207 I HA -0.283 3.888 4.170 0.001 0.000 0.243 207 I C 2.340 178.266 176.117 -0.320 0.000 1.080 207 I CA 1.663 62.693 61.300 -0.450 0.000 1.339 207 I CB -1.592 35.919 38.000 -0.815 0.000 1.039 207 I HN 0.246 nan 8.210 nan 0.000 0.409 208 A N 0.243 122.903 122.820 -0.267 0.000 1.897 208 A HA -0.064 4.257 4.320 0.001 0.000 0.215 208 A C 1.978 179.480 177.584 -0.138 0.000 1.181 208 A CA 2.133 54.050 52.037 -0.200 0.000 0.620 208 A CB -0.475 18.385 19.000 -0.234 0.000 0.821 208 A HN 0.376 nan 8.150 nan 0.000 0.443 209 V N -5.379 114.456 119.914 -0.132 0.000 3.398 209 V HA 0.580 4.700 4.120 0.001 0.000 0.298 209 V C 1.002 177.044 176.094 -0.088 0.000 1.496 209 V CA 0.441 62.684 62.300 -0.095 0.000 1.044 209 V CB -0.617 31.158 31.823 -0.080 0.000 0.880 209 V HN 1.573 nan 8.190 nan 0.000 0.443 210 G N 0.858 109.595 108.800 -0.105 0.000 2.272 210 G HA2 -0.181 3.779 3.960 0.001 0.000 0.280 210 G HA3 -0.181 3.779 3.960 0.001 0.000 0.280 210 G C -0.243 174.613 174.900 -0.073 0.000 1.067 210 G CA 0.619 45.665 45.100 -0.090 0.000 0.902 210 G HN 0.649 nan 8.290 nan 0.000 0.500 211 E N -0.513 119.640 120.200 -0.078 0.000 2.302 211 E HA 0.322 4.672 4.350 0.001 0.000 0.263 211 E C 1.090 177.652 176.600 -0.064 0.000 0.897 211 E CA 0.138 56.500 56.400 -0.063 0.000 0.809 211 E CB 0.970 30.635 29.700 -0.057 0.000 1.270 211 E HN 0.332 nan 8.360 nan 0.000 0.410 212 T N -1.240 113.282 114.554 -0.053 0.000 2.978 212 T HA 0.049 4.400 4.350 0.001 0.000 0.262 212 T C 0.653 175.329 174.700 -0.040 0.000 1.063 212 T CA 0.240 62.311 62.100 -0.048 0.000 1.140 212 T CB 0.354 69.198 68.868 -0.041 0.000 0.886 212 T HN 0.063 nan 8.240 nan 0.000 0.470 213 E N 2.478 122.657 120.200 -0.035 0.000 2.259 213 E HA 0.227 4.577 4.350 0.001 0.000 0.281 213 E C -1.783 174.799 176.600 -0.029 0.000 1.037 213 E CA -2.784 53.600 56.400 -0.028 0.000 0.854 213 E CB 1.354 31.041 29.700 -0.022 0.000 1.051 213 E HN 0.112 nan 8.360 nan 0.000 0.409 214 P HA -0.224 nan 4.420 nan 0.000 0.216 214 P C 1.270 178.556 177.300 -0.024 0.000 1.157 214 P CA 1.392 64.476 63.100 -0.027 0.000 0.880 214 P CB 0.444 32.132 31.700 -0.019 0.000 0.791 215 E N -0.596 119.594 120.200 -0.018 0.000 2.077 215 E HA -0.199 4.151 4.350 0.001 0.000 0.193 215 E C 2.393 178.982 176.600 -0.019 0.000 0.989 215 E CA 1.966 58.357 56.400 -0.015 0.000 0.800 215 E CB -0.610 29.084 29.700 -0.010 0.000 0.746 215 E HN -0.021 nan 8.360 nan 0.000 0.452 216 R N 0.474 120.960 120.500 -0.023 0.000 2.092 216 R HA 0.141 4.481 4.340 0.001 0.000 0.231 216 R C 2.379 178.658 176.300 -0.035 0.000 1.119 216 R CA 1.616 57.700 56.100 -0.027 0.000 0.970 216 R CB -1.494 28.790 30.300 -0.028 0.000 0.864 216 R HN 0.336 nan 8.270 nan 0.000 0.440 217 A N 0.781 123.576 122.820 -0.040 0.000 1.851 217 A HA 0.062 4.383 4.320 0.001 0.000 0.216 217 A C 2.861 180.416 177.584 -0.048 0.000 1.195 217 A CA 1.939 53.945 52.037 -0.052 0.000 0.622 217 A CB -1.347 17.618 19.000 -0.058 0.000 0.831 217 A HN 0.686 nan 8.150 nan 0.000 0.444 218 G N -0.946 107.832 108.800 -0.037 0.000 2.446 218 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 218 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 218 G C 1.767 176.652 174.900 -0.025 0.000 1.168 218 G CA 0.995 46.078 45.100 -0.029 0.000 0.771 218 G HN 0.553 nan 8.290 nan 0.000 0.551 219 R N 0.412 120.898 120.500 -0.023 0.000 2.094 219 R HA -0.089 4.252 4.340 0.001 0.000 0.239 219 R C 3.062 179.346 176.300 -0.027 0.000 1.137 219 R CA 1.384 57.471 56.100 -0.022 0.000 0.943 219 R CB -0.473 29.815 30.300 -0.020 0.000 0.850 219 R HN 0.361 nan 8.270 nan 0.000 0.433 220 A N 1.026 123.826 122.820 -0.033 0.000 1.940 220 A HA -0.149 4.172 4.320 0.001 0.000 0.219 220 A C 2.191 179.752 177.584 -0.038 0.000 1.176 220 A CA 1.241 53.255 52.037 -0.037 0.000 0.631 220 A CB -0.517 18.456 19.000 -0.045 0.000 0.814 220 A HN 0.196 nan 8.150 nan 0.000 0.446 221 L N -0.742 120.456 121.223 -0.041 0.000 2.027 221 L HA -0.161 4.180 4.340 0.001 0.000 0.206 221 L C 2.540 179.396 176.870 -0.025 0.000 1.074 221 L CA 1.078 55.895 54.840 -0.038 0.000 0.745 221 L CB -0.524 41.505 42.059 -0.050 0.000 0.898 221 L HN 0.365 nan 8.230 nan 0.000 0.433 222 L N -0.491 120.719 121.223 -0.022 0.000 2.131 222 L HA -0.205 4.135 4.340 0.001 0.000 0.210 222 L C 2.584 179.440 176.870 -0.023 0.000 1.092 222 L CA 0.852 55.681 54.840 -0.017 0.000 0.759 222 L CB -0.474 41.578 42.059 -0.013 0.000 0.903 222 L HN 0.267 nan 8.230 nan 0.000 0.435 223 E N 0.796 120.981 120.200 -0.026 0.000 2.118 223 E HA -0.238 4.113 4.350 0.001 0.000 0.195 223 E C 2.075 178.653 176.600 -0.036 0.000 0.992 223 E CA 1.287 57.669 56.400 -0.029 0.000 0.804 223 E CB 0.013 29.696 29.700 -0.029 0.000 0.741 223 E HN 0.081 nan 8.360 nan 0.000 0.458 224 R N -1.250 119.229 120.500 -0.036 0.000 2.285 224 R HA 0.111 4.451 4.340 0.001 0.000 0.213 224 R C 1.488 177.751 176.300 -0.062 0.000 1.068 224 R CA 1.001 57.074 56.100 -0.046 0.000 1.004 224 R CB -0.266 30.017 30.300 -0.028 0.000 0.873 224 R HN 0.366 nan 8.270 nan 0.000 0.467 225 G N -1.674 107.097 108.800 -0.047 0.000 2.211 225 G HA2 -0.227 3.734 3.960 0.001 0.000 0.201 225 G HA3 -0.227 3.734 3.960 0.001 0.000 0.201 225 G C -0.019 174.862 174.900 -0.032 0.000 0.997 225 G CA -0.087 44.982 45.100 -0.052 0.000 0.652 225 G HN 0.136 nan 8.290 nan 0.000 0.500 226 V N 1.225 121.132 119.914 -0.012 0.000 2.694 226 V HA 0.137 4.258 4.120 0.001 0.000 0.306 226 V C 1.520 177.619 176.094 0.008 0.000 1.054 226 V CA 1.482 63.789 62.300 0.012 0.000 1.161 226 V CB 1.303 33.139 31.823 0.022 0.000 0.916 226 V HN 0.510 nan 8.190 nan 0.000 0.490 227 E N 2.901 123.113 120.200 0.020 0.000 2.415 227 E HA 0.151 4.501 4.350 0.001 0.000 0.197 227 E C -0.248 176.370 176.600 0.031 0.000 1.007 227 E CA 0.021 56.434 56.400 0.022 0.000 0.890 227 E CB 0.639 30.353 29.700 0.025 0.000 0.891 227 E HN 0.383 nan 8.360 nan 0.000 0.496 228 L N 0.487 121.733 121.223 0.038 0.000 2.491 228 L HA 0.486 4.827 4.340 0.001 0.000 0.267 228 L C -1.487 175.400 176.870 0.027 0.000 0.971 228 L CA -0.701 54.164 54.840 0.040 0.000 0.857 228 L CB 1.487 43.582 42.059 0.059 0.000 1.226 228 L HN -0.155 nan 8.230 nan 0.000 0.408 229 A N 6.133 128.963 122.820 0.017 0.000 2.292 229 A HA 0.825 5.145 4.320 0.001 0.000 0.319 229 A C -0.658 176.936 177.584 0.017 0.000 1.206 229 A CA -0.361 51.676 52.037 -0.000 0.000 0.835 229 A CB 0.454 19.445 19.000 -0.015 0.000 1.164 229 A HN 0.672 nan 8.150 nan 0.000 0.505 230 I N 3.159 123.738 120.570 0.015 0.000 2.411 230 I HA 0.272 4.442 4.170 0.001 0.000 0.284 230 I C -0.896 175.216 176.117 -0.008 0.000 1.012 230 I CA -0.602 60.728 61.300 0.049 0.000 1.119 230 I CB 1.925 40.010 38.000 0.141 0.000 1.261 230 I HN 0.283 nan 8.210 nan 0.000 0.448 231 V N 6.851 126.755 119.914 -0.016 0.000 2.311 231 V HA 0.265 4.386 4.120 0.001 0.000 0.275 231 V C 0.209 176.267 176.094 -0.061 0.000 1.022 231 V CA -0.825 61.446 62.300 -0.049 0.000 0.830 231 V CB 1.085 32.884 31.823 -0.041 0.000 1.012 231 V HN 0.613 nan 8.190 nan 0.000 0.452 232 K N 3.616 123.952 120.400 -0.107 0.000 2.322 232 K HA 0.307 4.628 4.320 0.001 0.000 0.283 232 K C 0.494 177.044 176.600 -0.084 0.000 1.042 232 K CA 0.064 56.269 56.287 -0.136 0.000 0.958 232 K CB 0.908 33.279 32.500 -0.215 0.000 0.984 232 K HN 0.632 nan 8.250 nan 0.000 0.473 233 Q N 1.393 121.155 119.800 -0.063 0.000 2.164 233 Q HA 0.133 4.474 4.340 0.001 0.000 0.226 233 Q C 0.977 176.962 176.000 -0.024 0.000 0.813 233 Q CA 0.121 55.902 55.803 -0.036 0.000 0.978 233 Q CB 1.293 30.017 28.738 -0.023 0.000 1.149 233 Q HN 1.029 nan 8.270 nan 0.000 0.489 234 G N 2.013 110.794 108.800 -0.031 0.000 3.099 234 G HA2 -0.373 3.588 3.960 0.001 0.000 0.331 234 G HA3 -0.373 3.588 3.960 0.001 0.000 0.331 234 G C -1.439 173.464 174.900 0.005 0.000 1.216 234 G CA 0.653 45.748 45.100 -0.008 0.000 0.977 234 G HN 0.290 nan 8.290 nan 0.000 0.600 235 P HA 0.000 nan 4.420 nan 0.000 0.214 235 P C 1.651 178.967 177.300 0.026 0.000 1.163 235 P CA 1.973 65.099 63.100 0.044 0.000 0.889 235 P CB -0.135 31.593 31.700 0.046 0.000 0.790 236 K N -1.001 119.406 120.400 0.012 0.000 2.525 236 K HA 0.160 4.481 4.320 0.001 0.000 0.192 236 K C 1.243 177.838 176.600 -0.008 0.000 1.029 236 K CA 0.718 57.009 56.287 0.007 0.000 1.029 236 K CB -0.181 32.324 32.500 0.007 0.000 0.814 236 K HN 0.252 nan 8.250 nan 0.000 0.503 237 G N 0.729 109.516 108.800 -0.023 0.000 2.669 237 G HA2 -0.272 3.688 3.960 0.001 0.000 0.250 237 G HA3 -0.272 3.688 3.960 0.001 0.000 0.250 237 G C -0.415 174.473 174.900 -0.019 0.000 1.247 237 G CA -0.159 44.924 45.100 -0.029 0.000 0.958 237 G HN 0.239 nan 8.290 nan 0.000 0.559 243 K N 0.180 120.585 120.400 0.008 0.000 2.209 243 K HA -0.026 4.294 4.320 0.001 0.000 0.204 243 K C 1.006 177.609 176.600 0.005 0.000 1.048 243 K CA 1.830 58.120 56.287 0.004 0.000 0.940 243 K CB -0.231 32.270 32.500 0.000 0.000 0.729 243 K HN 0.477 nan 8.250 nan 0.000 0.451 244 D N 0.988 121.394 120.400 0.009 0.000 2.301 244 D HA -0.015 4.626 4.640 0.001 0.000 0.206 244 D C 0.230 176.537 176.300 0.011 0.000 0.979 244 D CA 0.754 54.760 54.000 0.010 0.000 0.874 244 D CB 0.360 41.167 40.800 0.012 0.000 0.968 244 D HN 0.606 nan 8.370 nan 0.000 0.510 245 E N -0.587 119.622 120.200 0.014 0.000 2.388 245 E HA 0.289 4.640 4.350 0.001 0.000 0.280 245 E C -1.561 175.050 176.600 0.018 0.000 1.019 245 E CA -0.638 55.772 56.400 0.016 0.000 0.806 245 E CB 1.427 31.137 29.700 0.018 0.000 1.246 245 E HN -0.323 nan 8.360 nan 0.000 0.443 246 T N 1.786 116.350 114.554 0.016 0.000 2.779 246 T HA 0.488 4.838 4.350 0.001 0.000 0.280 246 T C -0.836 173.878 174.700 0.022 0.000 0.987 246 T CA -0.446 61.665 62.100 0.018 0.000 0.966 246 T CB 1.218 70.094 68.868 0.013 0.000 0.933 246 T HN 0.328 nan 8.240 nan 0.000 0.442 247 V N 3.270 123.202 119.914 0.029 0.000 2.680 247 V HA 0.619 4.739 4.120 0.001 0.000 0.309 247 V C -0.198 175.919 176.094 0.038 0.000 1.052 247 V CA -0.816 61.504 62.300 0.034 0.000 0.908 247 V CB 2.100 33.947 31.823 0.041 0.000 1.001 247 V HN 0.865 nan 8.190 nan 0.000 0.431 248 E N 2.237 122.458 120.200 0.036 0.000 2.317 248 E HA 0.793 5.143 4.350 0.001 0.000 0.270 248 E C -2.011 174.614 176.600 0.041 0.000 0.885 248 E CA -0.501 55.921 56.400 0.037 0.000 0.760 248 E CB 2.505 32.221 29.700 0.026 0.000 1.227 248 E HN 0.430 nan 8.360 nan 0.000 0.434 249 V N 4.385 124.326 119.914 0.046 0.000 2.709 249 V HA 0.482 4.603 4.120 0.001 0.000 0.308 249 V C -2.251 173.860 176.094 0.029 0.000 1.062 249 V CA -1.620 60.709 62.300 0.048 0.000 0.901 249 V CB 1.638 33.504 31.823 0.071 0.000 1.003 249 V HN 0.699 nan 8.190 nan 0.000 0.425 250 P HA 0.340 nan 4.420 nan 0.000 0.274 250 P C -2.865 174.380 177.300 -0.091 0.000 1.246 250 P CA -1.811 61.267 63.100 -0.037 0.000 0.795 250 P CB -0.172 31.509 31.700 -0.030 0.000 1.006 251 P HA 0.179 nan 4.420 nan 0.000 0.271 251 P C -0.638 176.394 177.300 -0.447 0.000 1.216 251 P CA -0.005 62.906 63.100 -0.315 0.000 0.771 251 P CB -0.005 31.438 31.700 -0.429 0.000 0.864 252 F N 4.079 123.847 119.950 -0.303 0.000 2.464 252 F HA 0.291 4.819 4.527 0.001 0.000 0.353 252 F C -0.229 175.478 175.800 -0.154 0.000 1.191 252 F CA -0.463 57.419 58.000 -0.198 0.000 1.147 252 F CB -0.542 38.415 39.000 -0.072 0.000 1.294 252 F HN 0.132 nan 8.300 nan 0.000 0.583 253 F N 5.491 125.318 119.950 -0.206 0.000 2.543 253 F HA 0.366 4.893 4.527 0.001 0.000 0.375 253 F C 0.452 176.153 175.800 -0.165 0.000 1.075 253 F CA -0.203 57.716 58.000 -0.135 0.000 1.225 253 F CB 0.127 39.046 39.000 -0.136 0.000 1.099 253 F HN 0.266 nan 8.300 nan 0.000 0.561 254 V N -0.487 119.518 119.914 0.151 0.000 3.167 254 V HA 0.567 4.687 4.120 0.001 0.000 0.310 254 V C -0.974 175.181 176.094 0.102 0.000 1.207 254 V CA -1.106 61.254 62.300 0.100 0.000 1.059 254 V CB 1.998 33.894 31.823 0.122 0.000 1.079 254 V HN 0.454 nan 8.190 nan 0.000 0.446 255 D N 1.448 121.894 120.400 0.076 0.000 2.374 255 D HA 0.348 4.989 4.640 0.001 0.000 0.240 255 D C -0.153 176.199 176.300 0.087 0.000 1.229 255 D CA 0.175 54.219 54.000 0.074 0.000 0.895 255 D CB 0.681 41.513 40.800 0.053 0.000 1.046 255 D HN 0.573 nan 8.370 nan 0.000 0.498 256 V N 6.340 126.323 119.914 0.116 0.000 2.470 256 V HA 0.100 4.220 4.120 0.001 0.000 0.276 256 V C 1.726 177.902 176.094 0.136 0.000 1.040 256 V CA -0.103 62.274 62.300 0.129 0.000 1.008 256 V CB 1.071 33.017 31.823 0.204 0.000 0.990 256 V HN 0.508 nan 8.190 nan 0.000 0.477 257 I N 2.696 123.313 120.570 0.078 0.000 2.681 257 I HA 0.169 4.339 4.170 0.001 0.000 0.247 257 I C 0.749 176.904 176.117 0.064 0.000 1.091 257 I CA 0.664 62.012 61.300 0.080 0.000 1.442 257 I CB 0.229 38.254 38.000 0.041 0.000 1.219 257 I HN 0.641 nan 8.210 nan 0.000 0.451 258 N N 0.632 119.261 118.700 -0.118 0.000 2.558 258 N HA 0.224 4.965 4.740 0.001 0.000 0.285 258 N C 0.224 175.354 175.510 -0.633 0.000 1.112 258 N CA -0.193 52.600 53.050 -0.429 0.000 0.857 258 N CB 1.811 40.159 38.487 -0.231 0.000 1.376 258 N HN 0.150 nan 8.380 nan 0.000 0.526 259 G N 2.105 110.152 108.800 -1.255 0.000 2.744 259 G HA2 0.032 3.992 3.960 0.001 0.000 0.211 259 G HA3 0.032 3.992 3.960 0.001 0.000 0.211 259 G C 0.604 175.240 174.900 -0.441 0.000 1.143 259 G CA 0.179 44.870 45.100 -0.682 0.000 0.788 259 G HN 0.513 nan 8.290 nan 0.000 0.534 260 L N 0.573 121.500 121.223 -0.493 0.000 2.513 260 L HA 0.363 4.703 4.340 0.001 0.000 0.272 260 L C 1.645 178.443 176.870 -0.120 0.000 1.187 260 L CA 0.884 55.609 54.840 -0.191 0.000 0.895 260 L CB 0.681 42.670 42.059 -0.118 0.000 1.147 260 L HN 0.281 nan 8.230 nan 0.000 0.483 261 G N 2.169 110.944 108.800 -0.041 0.000 2.162 261 G HA2 -0.360 3.601 3.960 0.001 0.000 0.260 261 G HA3 -0.360 3.601 3.960 0.001 0.000 0.260 261 G C 1.091 175.982 174.900 -0.014 0.000 0.976 261 G CA 0.638 45.729 45.100 -0.015 0.000 0.655 261 G HN 0.893 nan 8.290 nan 0.000 0.533 262 A N 0.213 123.017 122.820 -0.027 0.000 1.917 262 A HA 0.165 4.486 4.320 0.001 0.000 0.219 262 A C 2.834 180.460 177.584 0.071 0.000 1.182 262 A CA 2.491 54.531 52.037 0.005 0.000 0.633 262 A CB -1.060 17.937 19.000 -0.007 0.000 0.819 262 A HN 1.685 nan 8.150 nan 0.000 0.448 263 G N -0.710 108.129 108.800 0.065 0.000 2.443 263 G HA2 -0.166 3.794 3.960 0.001 0.000 0.219 263 G HA3 -0.166 3.794 3.960 0.001 0.000 0.219 263 G C 1.046 176.064 174.900 0.196 0.000 1.131 263 G CA 1.152 46.317 45.100 0.108 0.000 0.775 263 G HN 0.513 nan 8.290 nan 0.000 0.547 264 D N 1.036 121.507 120.400 0.118 0.000 2.162 264 D HA 0.036 4.676 4.640 0.001 0.000 0.203 264 D C 2.766 179.072 176.300 0.010 0.000 0.967 264 D CA 1.022 55.056 54.000 0.056 0.000 0.840 264 D CB -0.347 40.465 40.800 0.020 0.000 0.972 264 D HN 0.305 nan 8.370 nan 0.000 0.482 265 A N 0.624 123.466 122.820 0.036 0.000 1.930 265 A HA -0.136 4.184 4.320 0.001 0.000 0.217 265 A C 2.034 179.670 177.584 0.087 0.000 1.175 265 A CA 0.730 52.783 52.037 0.026 0.000 0.627 265 A CB -0.935 18.064 19.000 -0.002 0.000 0.815 265 A HN 0.214 nan 8.150 nan 0.000 0.443 266 F N 1.279 121.231 119.950 0.004 0.000 2.095 266 F HA -0.093 4.435 4.527 0.001 0.000 0.298 266 F C 2.287 178.129 175.800 0.071 0.000 1.104 266 F CA 1.725 59.749 58.000 0.041 0.000 1.232 266 F CB -0.719 38.314 39.000 0.056 0.000 0.987 266 F HN 0.199 nan 8.300 nan 0.000 0.475 267 G N -0.516 108.458 108.800 0.290 0.000 2.421 267 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 267 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 267 G C 1.931 176.672 174.900 -0.265 0.000 1.171 267 G CA 0.671 45.814 45.100 0.072 0.000 0.775 267 G HN 0.641 nan 8.290 nan 0.000 0.543 268 G N 1.045 109.711 108.800 -0.222 0.000 2.440 268 G HA2 0.029 3.990 3.960 0.001 0.000 0.218 268 G HA3 0.029 3.990 3.960 0.001 0.000 0.218 268 G C 2.010 176.972 174.900 0.102 0.000 1.154 268 G CA 1.558 46.606 45.100 -0.086 0.000 0.767 268 G HN 0.664 nan 8.290 nan 0.000 0.552 269 A N 0.193 123.074 122.820 0.101 0.000 1.968 269 A HA 0.184 4.504 4.320 0.001 0.000 0.217 269 A C 2.300 179.910 177.584 0.043 0.000 1.169 269 A CA 1.472 53.580 52.037 0.117 0.000 0.638 269 A CB -0.336 18.699 19.000 0.060 0.000 0.812 269 A HN 0.427 nan 8.150 nan 0.000 0.446 270 L N 0.105 121.253 121.223 -0.125 0.000 2.012 270 L HA -0.202 4.138 4.340 0.001 0.000 0.210 270 L C 2.425 179.237 176.870 -0.097 0.000 1.073 270 L CA 2.310 57.075 54.840 -0.124 0.000 0.748 270 L CB -1.060 40.969 42.059 -0.050 0.000 0.891 270 L HN 0.457 nan 8.230 nan 0.000 0.431 271 C N -0.753 118.512 119.300 -0.059 0.000 2.413 271 C HA -0.211 4.249 4.460 0.001 0.000 0.276 271 C C 2.698 177.513 174.990 -0.292 0.000 1.236 271 C CA 1.131 60.072 59.018 -0.130 0.000 1.735 271 C CB -1.488 26.200 27.740 -0.087 0.000 2.031 271 C HN 0.802 nan 8.230 nan 0.000 0.474 272 H N 0.807 119.689 119.070 -0.313 0.000 2.321 272 H HA -0.023 4.533 4.556 0.001 0.000 0.300 272 H C 2.307 177.220 175.328 -0.691 0.000 1.087 272 H CA 2.172 57.981 56.048 -0.400 0.000 1.319 272 H CB -0.686 28.842 29.762 -0.390 0.000 1.379 272 H HN 0.347 nan 8.280 nan 0.000 0.501 273 G N 0.305 108.688 108.800 -0.695 0.000 2.422 273 G HA2 -0.210 3.750 3.960 0.001 0.000 0.218 273 G HA3 -0.210 3.750 3.960 0.001 0.000 0.218 273 G C 1.743 176.270 174.900 -0.622 0.000 1.146 273 G CA 0.944 45.580 45.100 -0.774 0.000 0.769 273 G HN 0.421 nan 8.290 nan 0.000 0.547 274 L N -0.301 120.638 121.223 -0.473 0.000 2.072 274 L HA 0.090 4.430 4.340 0.001 0.000 0.205 274 L C 2.816 179.423 176.870 -0.438 0.000 1.079 274 L CA 0.412 54.974 54.840 -0.464 0.000 0.752 274 L CB -0.275 41.395 42.059 -0.648 0.000 0.906 274 L HN 0.173 nan 8.230 nan 0.000 0.436 275 L N -1.149 119.777 121.223 -0.495 0.000 2.201 275 L HA -0.135 4.205 4.340 0.001 0.000 0.212 275 L C 2.403 179.004 176.870 -0.447 0.000 1.105 275 L CA 0.748 55.351 54.840 -0.395 0.000 0.775 275 L CB -0.349 41.417 42.059 -0.488 0.000 0.913 275 L HN 0.140 nan 8.230 nan 0.000 0.440 276 S N -0.678 114.551 115.700 -0.785 0.000 2.561 276 S HA -0.068 4.402 4.470 0.001 0.000 0.225 276 S C 0.533 174.770 174.600 -0.605 0.000 0.977 276 S CA 0.217 57.851 58.200 -0.943 0.000 0.926 276 S CB -0.159 61.805 63.200 -2.060 0.000 0.769 276 S HN 0.458 nan 8.310 nan 0.000 0.533 277 E N -0.538 119.432 120.200 -0.383 0.000 2.637 277 E HA -0.179 4.172 4.350 0.001 0.000 0.265 277 E C -0.778 175.833 176.600 0.018 0.000 1.073 277 E CA 0.321 56.645 56.400 -0.127 0.000 0.778 277 E CB -1.632 28.034 29.700 -0.058 0.000 1.362 277 E HN 0.495 nan 8.360 nan 0.000 0.413 278 W N 1.365 122.592 121.300 -0.122 0.000 2.093 278 W HA 0.253 4.914 4.660 0.001 0.000 0.352 278 W C -1.339 175.139 176.519 -0.068 0.000 1.294 278 W CA -2.116 55.165 57.345 -0.106 0.000 1.290 278 W CB -0.935 28.434 29.460 -0.151 0.000 1.149 278 W HN -0.061 nan 8.180 nan 0.000 0.606 279 P HA -0.045 nan 4.420 nan 0.000 0.269 279 P C 0.833 178.188 177.300 0.092 0.000 1.215 279 P CA -0.227 62.927 63.100 0.091 0.000 0.780 279 P CB 0.844 32.568 31.700 0.040 0.000 0.898 280 L N 1.887 123.150 121.223 0.067 0.000 2.046 280 L HA -0.168 4.173 4.340 0.001 0.000 0.208 280 L C 2.456 179.365 176.870 0.064 0.000 1.077 280 L CA 1.918 56.797 54.840 0.064 0.000 0.747 280 L CB -1.079 41.011 42.059 0.052 0.000 0.896 280 L HN 0.512 nan 8.230 nan 0.000 0.432 281 E N -0.618 119.611 120.200 0.049 0.000 2.085 281 E HA -0.321 4.029 4.350 0.001 0.000 0.194 281 E C 2.229 178.853 176.600 0.040 0.000 0.994 281 E CA 1.527 57.952 56.400 0.041 0.000 0.801 281 E CB -0.049 29.665 29.700 0.024 0.000 0.743 281 E HN 0.466 nan 8.360 nan 0.000 0.453 282 K N -0.078 120.338 120.400 0.026 0.000 2.097 282 K HA -0.106 4.214 4.320 0.001 0.000 0.205 282 K C 1.971 178.648 176.600 0.127 0.000 1.050 282 K CA 1.118 57.403 56.287 -0.002 0.000 0.938 282 K CB 0.071 32.485 32.500 -0.144 0.000 0.718 282 K HN -0.001 nan 8.250 nan 0.000 0.442 283 V N 1.298 121.320 119.914 0.180 0.000 2.287 283 V HA -0.257 3.863 4.120 0.001 0.000 0.248 283 V C 2.245 178.410 176.094 0.118 0.000 1.053 283 V CA 1.690 64.103 62.300 0.188 0.000 1.027 283 V CB -0.477 31.401 31.823 0.092 0.000 0.646 283 V HN 0.336 nan 8.190 nan 0.000 0.447 284 L N -0.210 121.067 121.223 0.089 0.000 2.027 284 L HA -0.083 4.257 4.340 0.001 0.000 0.206 284 L C 2.612 179.533 176.870 0.085 0.000 1.074 284 L CA 1.805 56.699 54.840 0.089 0.000 0.745 284 L CB -0.641 41.488 42.059 0.117 0.000 0.898 284 L HN 0.157 nan 8.230 nan 0.000 0.433 285 R N -1.661 118.884 120.500 0.075 0.000 2.096 285 R HA -0.241 4.100 4.340 0.001 0.000 0.240 285 R C 2.267 178.567 176.300 0.001 0.000 1.139 285 R CA 2.124 58.245 56.100 0.034 0.000 0.952 285 R CB -0.692 29.620 30.300 0.019 0.000 0.854 285 R HN 0.348 nan 8.270 nan 0.000 0.436 286 F N 0.933 120.838 119.950 -0.074 0.000 2.113 286 F HA -0.124 4.403 4.527 0.001 0.000 0.297 286 F C 2.292 178.016 175.800 -0.127 0.000 1.103 286 F CA 1.402 59.363 58.000 -0.065 0.000 1.248 286 F CB -0.318 38.748 39.000 0.109 0.000 0.999 286 F HN -0.001 nan 8.300 nan 0.000 0.475 287 A N 0.098 122.891 122.820 -0.045 0.000 1.902 287 A HA -0.245 4.075 4.320 0.001 0.000 0.217 287 A C 2.021 179.457 177.584 -0.247 0.000 1.181 287 A CA 1.971 53.746 52.037 -0.436 0.000 0.623 287 A CB -1.154 17.179 19.000 -1.112 0.000 0.818 287 A HN 0.505 nan 8.150 nan 0.000 0.443 288 N N -0.476 118.229 118.700 0.009 0.000 2.120 288 N HA -0.107 4.633 4.740 0.001 0.000 0.188 288 N C 1.678 177.176 175.510 -0.020 0.000 1.024 288 N CA 2.107 55.278 53.050 0.201 0.000 0.852 288 N CB -0.441 38.150 38.487 0.173 0.000 1.003 288 N HN 0.425 nan 8.380 nan 0.000 0.424 289 T N -0.226 114.160 114.554 -0.279 0.000 2.821 289 T HA 0.010 4.360 4.350 0.001 0.000 0.267 289 T C 1.825 176.315 174.700 -0.349 0.000 1.046 289 T CA 1.156 62.928 62.100 -0.547 0.000 1.139 289 T CB -0.468 67.944 68.868 -0.760 0.000 0.871 289 T HN 0.374 nan 8.240 nan 0.000 0.454 290 A N 1.491 124.112 122.820 -0.331 0.000 1.902 290 A HA 0.081 4.402 4.320 0.001 0.000 0.217 290 A C 2.619 180.158 177.584 -0.075 0.000 1.181 290 A CA 1.905 53.803 52.037 -0.232 0.000 0.623 290 A CB -1.376 17.489 19.000 -0.225 0.000 0.818 290 A HN 0.505 nan 8.150 nan 0.000 0.443 291 G N -0.621 108.193 108.800 0.023 0.000 2.418 291 G HA2 0.017 3.978 3.960 0.001 0.000 0.217 291 G HA3 0.017 3.978 3.960 0.001 0.000 0.217 291 G C 1.746 176.677 174.900 0.051 0.000 1.158 291 G CA 1.422 46.574 45.100 0.086 0.000 0.771 291 G HN 0.824 nan 8.290 nan 0.000 0.545 292 A N 0.496 123.355 122.820 0.066 0.000 1.940 292 A HA 0.070 4.390 4.320 0.001 0.000 0.219 292 A C 2.433 180.066 177.584 0.082 0.000 1.176 292 A CA 1.275 53.383 52.037 0.117 0.000 0.631 292 A CB -0.371 18.795 19.000 0.277 0.000 0.814 292 A HN 0.370 nan 8.150 nan 0.000 0.446 293 L N -0.828 120.408 121.223 0.022 0.000 2.017 293 L HA -0.153 4.188 4.340 0.001 0.000 0.208 293 L C 2.530 179.387 176.870 -0.022 0.000 1.073 293 L CA 1.076 55.915 54.840 -0.001 0.000 0.745 293 L CB -0.499 41.528 42.059 -0.053 0.000 0.894 293 L HN 0.246 nan 8.230 nan 0.000 0.432 294 V N -0.017 119.873 119.914 -0.040 0.000 2.407 294 V HA -0.276 3.845 4.120 0.001 0.000 0.248 294 V C 2.694 178.747 176.094 -0.068 0.000 1.055 294 V CA 1.736 63.998 62.300 -0.064 0.000 1.049 294 V CB -0.743 31.039 31.823 -0.069 0.000 0.662 294 V HN 0.483 nan 8.190 nan 0.000 0.455 295 A N 0.558 123.353 122.820 -0.043 0.000 1.972 295 A HA -0.172 4.149 4.320 0.001 0.000 0.219 295 A C 2.408 179.974 177.584 -0.029 0.000 1.169 295 A CA 1.918 53.920 52.037 -0.058 0.000 0.635 295 A CB -0.603 18.391 19.000 -0.009 0.000 0.810 295 A HN 0.693 nan 8.150 nan 0.000 0.446 296 S N -0.812 114.892 115.700 0.007 0.000 2.607 296 S HA 0.120 4.591 4.470 0.001 0.000 0.224 296 S C 0.836 175.438 174.600 0.004 0.000 0.969 296 S CA -0.255 57.960 58.200 0.025 0.000 0.927 296 S CB -0.080 63.150 63.200 0.050 0.000 0.772 296 S HN 0.496 nan 8.310 nan 0.000 0.533 297 R N -0.280 120.204 120.500 -0.027 0.000 2.832 297 R HA 0.452 4.792 4.340 0.001 0.000 0.271 297 R C 0.523 176.789 176.300 -0.057 0.000 0.996 297 R CA -0.828 55.250 56.100 -0.036 0.000 0.977 297 R CB 1.058 31.325 30.300 -0.056 0.000 1.168 297 R HN 0.170 nan 8.270 nan 0.000 0.482 298 L N 1.210 122.412 121.223 -0.035 0.000 2.141 298 L HA -0.048 4.292 4.340 0.001 0.000 0.209 298 L C 0.016 176.799 176.870 -0.145 0.000 1.094 298 L CA 1.946 56.764 54.840 -0.038 0.000 0.763 298 L CB -0.186 41.905 42.059 0.054 0.000 0.908 298 L HN 0.542 nan 8.230 nan 0.000 0.437 299 E N -2.587 117.513 120.200 -0.167 0.000 2.254 299 E HA 0.231 4.582 4.350 0.001 0.000 0.261 299 E C 0.244 176.690 176.600 -0.256 0.000 1.051 299 E CA 0.299 56.526 56.400 -0.287 0.000 0.902 299 E CB 1.463 30.953 29.700 -0.349 0.000 1.168 299 E HN 0.180 nan 8.360 nan 0.000 0.423 300 C N -0.389 118.736 119.300 -0.291 0.000 3.120 300 C HA 0.077 4.538 4.460 0.001 0.000 0.222 300 C C 2.536 177.395 174.990 -0.218 0.000 2.428 300 C CA 0.890 59.783 59.018 -0.207 0.000 1.422 300 C CB -0.597 27.053 27.740 -0.151 0.000 1.236 300 C HN 0.873 nan 8.230 nan 0.000 0.746 301 S N 1.401 116.970 115.700 -0.217 0.000 2.370 301 S HA -0.224 4.247 4.470 0.001 0.000 0.226 301 S C 1.625 176.084 174.600 -0.235 0.000 1.033 301 S CA 2.748 60.836 58.200 -0.186 0.000 1.011 301 S CB -1.653 61.469 63.200 -0.130 0.000 0.852 301 S HN 0.924 nan 8.310 nan 0.000 0.457 302 T N -0.297 114.029 114.554 -0.380 0.000 3.035 302 T HA 0.496 4.846 4.350 0.001 0.000 0.268 302 T C 0.726 175.269 174.700 -0.262 0.000 1.109 302 T CA 0.496 62.381 62.100 -0.359 0.000 1.119 302 T CB -0.447 68.072 68.868 -0.582 0.000 0.900 302 T HN 0.696 nan 8.240 nan 0.000 0.503 306 T N -1.868 112.586 114.554 -0.166 0.000 2.828 306 T HA 0.247 4.597 4.350 0.001 0.000 0.290 306 T C 1.124 175.844 174.700 0.033 0.000 1.019 306 T CA 0.555 62.572 62.100 -0.139 0.000 1.031 306 T CB 0.387 69.210 68.868 -0.076 0.000 1.001 306 T HN 0.375 nan 8.240 nan 0.000 0.531 307 T N 0.946 115.609 114.554 0.181 0.000 2.759 307 T HA -0.113 4.237 4.350 0.001 0.000 0.269 307 T C 1.473 176.306 174.700 0.222 0.000 1.042 307 T CA 1.529 63.828 62.100 0.331 0.000 1.140 307 T CB -0.473 68.476 68.868 0.135 0.000 0.864 307 T HN 0.663 nan 8.240 nan 0.000 0.455 308 D N 0.826 121.293 120.400 0.113 0.000 2.144 308 D HA -0.072 4.569 4.640 0.001 0.000 0.200 308 D C 2.122 178.449 176.300 0.046 0.000 0.978 308 D CA 0.810 54.856 54.000 0.076 0.000 0.833 308 D CB -0.247 40.579 40.800 0.043 0.000 0.961 308 D HN 0.475 nan 8.370 nan 0.000 0.470 309 E N 0.400 120.611 120.200 0.018 0.000 2.150 309 E HA -0.102 4.249 4.350 0.001 0.000 0.193 309 E C 2.044 178.613 176.600 -0.051 0.000 0.985 309 E CA 0.441 56.831 56.400 -0.016 0.000 0.814 309 E CB 0.375 30.053 29.700 -0.037 0.000 0.752 309 E HN 0.046 nan 8.360 nan 0.000 0.466 310 V N 0.997 120.865 119.914 -0.076 0.000 2.346 310 V HA -0.177 3.943 4.120 0.001 0.000 0.244 310 V C 2.665 178.672 176.094 -0.144 0.000 1.037 310 V CA 2.262 64.413 62.300 -0.248 0.000 1.029 310 V CB -0.906 30.528 31.823 -0.648 0.000 0.663 310 V HN 0.417 nan 8.190 nan 0.000 0.454 311 E N 0.488 120.726 120.200 0.063 0.000 2.110 311 E HA -0.199 4.152 4.350 0.001 0.000 0.193 311 E C 2.228 178.843 176.600 0.025 0.000 0.988 311 E CA 1.762 58.223 56.400 0.101 0.000 0.804 311 E CB -0.847 28.947 29.700 0.158 0.000 0.745 311 E HN 0.694 nan 8.360 nan 0.000 0.458 312 A N 0.709 123.539 122.820 0.017 0.000 1.858 312 A HA -0.078 4.242 4.320 0.001 0.000 0.216 312 A C 2.688 180.280 177.584 0.013 0.000 1.190 312 A CA 2.160 54.206 52.037 0.015 0.000 0.617 312 A CB -0.520 18.490 19.000 0.016 0.000 0.827 312 A HN 0.437 nan 8.150 nan 0.000 0.443 313 S N -1.040 114.652 115.700 -0.013 0.000 2.481 313 S HA 0.045 4.516 4.470 0.001 0.000 0.231 313 S C 0.717 175.301 174.600 -0.027 0.000 0.996 313 S CA 0.074 58.280 58.200 0.010 0.000 0.942 313 S CB -0.466 62.714 63.200 -0.034 0.000 0.768 313 S HN 0.458 nan 8.310 nan 0.000 0.520 314 L N 3.273 124.436 121.223 -0.101 0.000 2.485 314 L HA 0.155 4.495 4.340 0.001 0.000 0.279 314 L C -0.210 176.670 176.870 0.016 0.000 1.124 314 L CA -0.002 54.771 54.840 -0.112 0.000 0.888 314 L CB 0.114 42.112 42.059 -0.101 0.000 1.217 314 L HN 0.097 nan 8.230 nan 0.000 0.464 315 N N 0.000 118.768 118.700 0.113 0.000 1.763 315 N HA 0.000 4.740 4.740 0.001 0.000 0.220 315 N CA 0.000 53.127 53.050 0.129 0.000 0.885 315 N CB 0.000 38.598 38.487 0.185 0.000 1.341 315 N HN 0.000 nan 8.380 nan 0.000 0.667