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 3ju8_1_A DATA FIRST_RESID 3 DATA SEQUENCE STHYIAGQWL AGQGETLESL DPVGQGVVWS GRGADATQVD AAVCAAREAF DATA SEQUENCE PAWARRPLEQ RIELLERFAA TLKSRADELA RVIGEETGKP LWESATEVTS DATA SEQUENCE XVNKVAISVQ AFRERTGEKS GPLADATAVL RHKPHGVVAV FGPYNFPGHL DATA SEQUENCE PNGHIVPALL AGNCVVFKPS ELTPKVAELT LKAWIQAGLP AGVLNLVQGG DATA SEQUENCE RETGVALAAH RGLDGLFFTG SSRTGNLLHS QFGGQPQKIL ALEXGGNNPL DATA SEQUENCE VVEEVADLDA AVYTIIQSAF ISAGQRCTCA RRLLVPQGAW GDALLARLVA DATA SEQUENCE VSATLRVGRF DEQPAPFXGA VISLSAAEHL LKAQEHLIGK GAQPLLAXTQ DATA SEQUENCE PIDGAALLTP GILDVSAVAE RPDEEFFGPL LQVIRYSDFA AAIREANATQ DATA SEQUENCE YGLAAGLLSD SRERFEQFLV ESRAGIVNWN KQLTGAASSA PFGGIGASGN DATA SEQUENCE HRPSAYYAAD YCAYPVASLE SPSVSLPATL TPGI 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 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.534 174.600 -0.110 0.000 1.055 3 S CA 0.000 57.890 58.200 -0.516 0.000 1.107 3 S CB 0.000 62.477 63.200 -1.204 0.000 0.593 4 T N 1.620 116.277 114.554 0.172 0.000 3.571 4 T HA 0.267 4.617 4.350 -0.000 0.000 0.217 4 T C -0.096 174.721 174.700 0.196 0.000 0.925 4 T CA 0.313 62.490 62.100 0.128 0.000 1.376 4 T CB -0.184 68.558 68.868 -0.212 0.000 1.375 4 T HN 0.643 nan 8.240 nan 0.000 0.404 5 H N -0.159 119.190 119.070 0.466 0.000 2.479 5 H HA 0.468 5.024 4.556 -0.000 0.000 0.335 5 H C -1.551 173.886 175.328 0.181 0.000 1.142 5 H CA -0.638 55.576 56.048 0.277 0.000 1.234 5 H CB 1.031 30.869 29.762 0.126 0.000 1.503 5 H HN 0.280 nan 8.280 nan 0.000 0.510 6 Y N 2.375 122.591 120.300 -0.139 0.000 2.376 6 Y HA 0.415 4.964 4.550 -0.000 0.000 0.326 6 Y C -1.075 174.649 175.900 -0.293 0.000 0.970 6 Y CA -0.589 57.187 58.100 -0.541 0.000 1.248 6 Y CB 0.362 38.206 38.460 -1.026 0.000 1.117 6 Y HN 0.457 nan 8.280 nan 0.000 0.476 7 I N 5.284 125.524 120.570 -0.549 0.000 2.534 7 I HA 0.483 4.653 4.170 -0.000 0.000 0.288 7 I C 0.158 176.003 176.117 -0.454 0.000 1.077 7 I CA -1.053 60.021 61.300 -0.376 0.000 1.051 7 I CB 2.016 39.896 38.000 -0.201 0.000 1.234 7 I HN 0.780 nan 8.210 nan 0.000 0.425 8 A N 4.563 127.159 122.820 -0.374 0.000 2.745 8 A HA -0.068 4.251 4.320 -0.000 0.000 0.296 8 A C 1.352 178.702 177.584 -0.390 0.000 1.500 8 A CA 1.092 52.949 52.037 -0.301 0.000 0.766 8 A CB -1.881 17.002 19.000 -0.196 0.000 1.030 8 A HN 2.027 nan 8.150 nan 0.000 0.489 9 G N -2.728 105.684 108.800 -0.647 0.000 2.148 9 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.254 9 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.254 9 G C -0.130 174.360 174.900 -0.683 0.000 0.981 9 G CA 0.975 45.714 45.100 -0.602 0.000 0.670 9 G HN 1.495 nan 8.290 nan 0.000 0.528 10 Q N -1.501 117.772 119.800 -0.878 0.000 2.397 10 Q HA 0.510 4.850 4.340 -0.000 0.000 0.275 10 Q C -0.745 175.007 176.000 -0.412 0.000 1.090 10 Q CA -0.809 54.741 55.803 -0.422 0.000 0.809 10 Q CB 1.356 29.991 28.738 -0.171 0.000 1.362 10 Q HN 0.333 nan 8.270 nan 0.000 0.431 11 W N 1.795 123.149 121.300 0.091 0.000 2.272 11 W HA 0.470 5.130 4.660 -0.000 0.000 0.318 11 W C -0.181 176.386 176.519 0.080 0.000 1.255 11 W CA -0.235 57.215 57.345 0.174 0.000 1.200 11 W CB 0.612 30.190 29.460 0.197 0.000 1.170 11 W HN 0.340 nan 8.180 nan 0.000 0.549 12 L N 3.440 124.879 121.223 0.360 0.000 2.410 12 L HA 0.707 5.047 4.340 -0.000 0.000 0.270 12 L C -0.005 177.016 176.870 0.251 0.000 0.983 12 L CA -0.682 54.301 54.840 0.237 0.000 0.822 12 L CB 1.442 43.610 42.059 0.182 0.000 1.285 12 L HN 0.483 nan 8.230 nan 0.000 0.409 13 A N 2.759 125.681 122.820 0.170 0.000 2.386 13 A HA 0.632 4.952 4.320 -0.000 0.000 0.248 13 A C 0.450 178.168 177.584 0.223 0.000 1.082 13 A CA 0.270 52.383 52.037 0.126 0.000 0.789 13 A CB 0.050 19.090 19.000 0.066 0.000 1.025 13 A HN 0.895 nan 8.150 nan 0.000 0.490 14 G N -0.919 108.011 108.800 0.216 0.000 2.476 14 G HA2 0.460 4.420 3.960 -0.000 0.000 0.286 14 G HA3 0.460 4.420 3.960 -0.000 0.000 0.286 14 G C 0.124 175.129 174.900 0.175 0.000 1.177 14 G CA -0.303 45.018 45.100 0.368 0.000 0.870 14 G HN 0.772 nan 8.290 nan 0.000 0.528 15 Q N 0.223 120.100 119.800 0.128 0.000 2.246 15 Q HA 0.194 4.534 4.340 -0.000 0.000 0.222 15 Q C 1.518 177.554 176.000 0.061 0.000 0.851 15 Q CA 0.016 55.861 55.803 0.070 0.000 0.945 15 Q CB 1.128 29.891 28.738 0.041 0.000 1.122 15 Q HN 0.629 nan 8.270 nan 0.000 0.508 16 G N 0.696 109.545 108.800 0.080 0.000 2.531 16 G HA2 0.123 4.083 3.960 -0.000 0.000 0.253 16 G HA3 0.123 4.083 3.960 -0.000 0.000 0.253 16 G C -0.092 174.852 174.900 0.073 0.000 1.439 16 G CA -0.522 44.619 45.100 0.067 0.000 1.056 16 G HN -0.017 nan 8.290 nan 0.000 0.555 17 E N 0.466 120.708 120.200 0.070 0.000 2.398 17 E HA 0.150 4.500 4.350 -0.000 0.000 0.263 17 E C 0.322 176.969 176.600 0.079 0.000 1.046 17 E CA 0.046 56.484 56.400 0.063 0.000 0.908 17 E CB 0.236 29.971 29.700 0.058 0.000 0.963 17 E HN 0.242 nan 8.360 nan 0.000 0.431 18 T N 2.218 116.808 114.554 0.060 0.000 2.946 18 T HA 0.150 4.500 4.350 -0.000 0.000 0.312 18 T C 0.098 174.853 174.700 0.091 0.000 1.066 18 T CA 0.101 62.236 62.100 0.058 0.000 1.138 18 T CB 0.046 68.931 68.868 0.029 0.000 1.014 18 T HN 0.244 nan 8.240 nan 0.000 0.544 19 L N 3.087 124.393 121.223 0.137 0.000 2.436 19 L HA 0.555 4.895 4.340 -0.000 0.000 0.268 19 L C -0.868 176.150 176.870 0.246 0.000 0.974 19 L CA -0.317 54.642 54.840 0.199 0.000 0.826 19 L CB 2.020 44.246 42.059 0.279 0.000 1.291 19 L HN 0.633 nan 8.230 nan 0.000 0.406 20 E N 2.176 122.487 120.200 0.185 0.000 2.238 20 E HA 0.638 4.987 4.350 -0.000 0.000 0.267 20 E C -1.131 175.578 176.600 0.181 0.000 0.887 20 E CA -0.774 55.740 56.400 0.191 0.000 0.769 20 E CB 2.010 31.762 29.700 0.087 0.000 1.187 20 E HN 0.688 nan 8.360 nan 0.000 0.416 21 S N 2.671 118.504 115.700 0.222 0.000 2.509 21 S HA 0.647 5.117 4.470 -0.000 0.000 0.297 21 S C -0.403 174.243 174.600 0.077 0.000 1.118 21 S CA -0.848 57.416 58.200 0.106 0.000 1.074 21 S CB 0.755 63.993 63.200 0.063 0.000 1.038 21 S HN 0.370 nan 8.310 nan 0.000 0.498 22 L N 1.869 123.109 121.223 0.029 0.000 2.362 22 L HA 0.478 4.818 4.340 -0.000 0.000 0.271 22 L C -0.349 176.521 176.870 0.001 0.000 1.002 22 L CA -1.061 53.790 54.840 0.019 0.000 0.818 22 L CB 1.625 43.691 42.059 0.012 0.000 1.298 22 L HN 0.724 nan 8.230 nan 0.000 0.420 23 D N 4.277 124.681 120.400 0.007 0.000 2.472 23 D HA 0.010 4.650 4.640 -0.000 0.000 0.248 23 D C -1.686 174.617 176.300 0.004 0.000 1.174 23 D CA -1.247 52.756 54.000 0.004 0.000 0.883 23 D CB 1.194 42.014 40.800 0.034 0.000 1.149 23 D HN 0.192 nan 8.370 nan 0.000 0.488 24 P HA -0.092 nan 4.420 nan 0.000 0.226 24 P C 1.150 178.455 177.300 0.007 0.000 1.153 24 P CA 0.348 63.441 63.100 -0.012 0.000 0.777 24 P CB 0.373 32.058 31.700 -0.025 0.000 0.794 25 V N -0.042 119.888 119.914 0.027 0.000 2.398 25 V HA 0.094 4.214 4.120 -0.000 0.000 0.236 25 V C 2.640 178.750 176.094 0.028 0.000 1.054 25 V CA 2.145 64.463 62.300 0.031 0.000 1.060 25 V CB -1.669 30.183 31.823 0.050 0.000 0.707 25 V HN 0.059 nan 8.190 nan 0.000 0.480 26 G N -1.391 107.432 108.800 0.038 0.000 2.572 26 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.216 26 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.216 26 G C 0.830 175.744 174.900 0.024 0.000 1.133 26 G CA 0.727 45.846 45.100 0.032 0.000 0.791 26 G HN 0.457 nan 8.290 nan 0.000 0.538 27 Q N -1.686 118.127 119.800 0.022 0.000 2.374 27 Q HA -0.143 4.197 4.340 -0.000 0.000 0.218 27 Q C 0.993 177.003 176.000 0.018 0.000 0.691 27 Q CA 0.924 56.736 55.803 0.016 0.000 1.340 27 Q CB -2.420 26.325 28.738 0.012 0.000 1.498 27 Q HN 0.646 nan 8.270 nan 0.000 0.739 28 G N 0.529 109.343 108.800 0.023 0.000 2.491 28 G HA2 0.348 4.307 3.960 -0.000 0.000 0.238 28 G HA3 0.348 4.307 3.960 -0.000 0.000 0.238 28 G C 0.348 175.262 174.900 0.024 0.000 1.277 28 G CA -0.098 45.015 45.100 0.022 0.000 0.851 28 G HN 0.060 nan 8.290 nan 0.000 0.573 29 V N 2.481 122.406 119.914 0.020 0.000 2.485 29 V HA -0.013 4.107 4.120 -0.000 0.000 0.287 29 V C 1.269 177.384 176.094 0.036 0.000 1.022 29 V CA -0.105 62.211 62.300 0.027 0.000 1.067 29 V CB 1.155 32.983 31.823 0.008 0.000 0.967 29 V HN 0.540 nan 8.190 nan 0.000 0.479 30 V N 4.376 124.330 119.914 0.067 0.000 2.949 30 V HA 0.197 4.317 4.120 -0.000 0.000 0.245 30 V C 0.168 176.360 176.094 0.163 0.000 1.086 30 V CA 0.538 62.888 62.300 0.082 0.000 1.097 30 V CB 0.329 32.187 31.823 0.059 0.000 0.762 30 V HN 0.897 nan 8.190 nan 0.000 0.470 31 W N -1.091 120.184 121.300 -0.041 0.000 3.296 31 W HA 0.623 5.283 4.660 -0.000 0.000 0.314 31 W C -0.889 175.605 176.519 -0.041 0.000 1.238 31 W CA -0.281 57.037 57.345 -0.046 0.000 1.193 31 W CB 1.720 31.152 29.460 -0.046 0.000 1.383 31 W HN -0.208 nan 8.180 nan 0.000 0.545 32 S N 3.383 118.628 115.700 -0.758 0.000 2.533 32 S HA 0.891 5.361 4.470 -0.000 0.000 0.271 32 S C -0.776 173.098 174.600 -1.209 0.000 1.143 32 S CA 0.184 58.008 58.200 -0.627 0.000 0.891 32 S CB 1.195 64.209 63.200 -0.311 0.000 1.105 32 S HN 1.429 nan 8.310 nan 0.000 0.468 33 G N 2.556 110.913 108.800 -0.739 0.000 2.430 33 G HA2 0.484 4.444 3.960 -0.000 0.000 0.300 33 G HA3 0.484 4.444 3.960 -0.000 0.000 0.300 33 G C -2.023 172.834 174.900 -0.071 0.000 1.330 33 G CA -0.876 43.930 45.100 -0.490 0.000 0.813 33 G HN 0.751 nan 8.290 nan 0.000 0.487 34 R N -0.414 120.096 120.500 0.016 0.000 2.407 34 R HA 0.564 4.904 4.340 -0.000 0.000 0.303 34 R C 0.822 177.283 176.300 0.268 0.000 0.981 34 R CA -0.134 56.040 56.100 0.123 0.000 0.905 34 R CB 1.661 32.022 30.300 0.101 0.000 1.099 34 R HN 0.736 nan 8.270 nan 0.000 0.459 35 G N 0.884 109.835 108.800 0.251 0.000 2.664 35 G HA2 0.280 4.240 3.960 -0.000 0.000 0.242 35 G HA3 0.280 4.240 3.960 -0.000 0.000 0.242 35 G C -0.394 174.657 174.900 0.252 0.000 1.225 35 G CA -0.473 44.800 45.100 0.289 0.000 0.849 35 G HN 0.653 nan 8.290 nan 0.000 0.581 36 A N 1.186 124.029 122.820 0.037 0.000 2.404 36 A HA 0.483 4.803 4.320 -0.000 0.000 0.273 36 A C 0.577 178.095 177.584 -0.109 0.000 1.144 36 A CA -0.292 51.551 52.037 -0.323 0.000 0.806 36 A CB 0.113 18.759 19.000 -0.589 0.000 1.080 36 A HN 0.833 nan 8.150 nan 0.000 0.509 37 D N 2.344 122.701 120.400 -0.071 0.000 2.447 37 D HA 0.411 5.051 4.640 -0.000 0.000 0.265 37 D C 1.191 177.471 176.300 -0.034 0.000 1.250 37 D CA 0.076 54.060 54.000 -0.026 0.000 1.046 37 D CB 0.420 41.218 40.800 -0.004 0.000 1.095 37 D HN 0.350 nan 8.370 nan 0.000 0.555 38 A N -0.510 122.304 122.820 -0.010 0.000 1.933 38 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 38 A C 2.149 179.735 177.584 0.004 0.000 1.175 38 A CA 2.151 54.190 52.037 0.003 0.000 0.628 38 A CB -1.307 17.697 19.000 0.007 0.000 0.814 38 A HN 0.662 nan 8.150 nan 0.000 0.444 39 T N 0.161 114.710 114.554 -0.008 0.000 2.684 39 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 39 T C 2.056 176.740 174.700 -0.027 0.000 1.036 39 T CA 1.825 63.919 62.100 -0.009 0.000 1.148 39 T CB -0.282 68.579 68.868 -0.011 0.000 0.863 39 T HN 0.643 nan 8.240 nan 0.000 0.436 40 Q N 0.143 119.907 119.800 -0.059 0.000 2.119 40 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 40 Q C 2.579 178.504 176.000 -0.125 0.000 0.972 40 Q CA 0.931 56.671 55.803 -0.106 0.000 0.847 40 Q CB -0.317 28.315 28.738 -0.176 0.000 0.903 40 Q HN 0.342 nan 8.270 nan 0.000 0.433 41 V N 1.582 121.435 119.914 -0.102 0.000 2.343 41 V HA -0.267 3.852 4.120 -0.000 0.000 0.247 41 V C 1.602 177.646 176.094 -0.083 0.000 1.051 41 V CA 1.945 64.191 62.300 -0.091 0.000 1.036 41 V CB -0.532 31.271 31.823 -0.033 0.000 0.654 41 V HN 0.322 nan 8.190 nan 0.000 0.451 42 D N 0.576 120.983 120.400 0.012 0.000 2.133 42 D HA -0.209 4.431 4.640 -0.000 0.000 0.192 42 D C 2.217 178.487 176.300 -0.051 0.000 1.001 42 D CA 1.942 55.982 54.000 0.065 0.000 0.844 42 D CB -0.411 40.453 40.800 0.107 0.000 0.944 42 D HN 0.455 nan 8.370 nan 0.000 0.447 43 A N 0.685 123.469 122.820 -0.060 0.000 1.933 43 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 43 A C 2.288 179.801 177.584 -0.117 0.000 1.175 43 A CA 2.285 54.275 52.037 -0.077 0.000 0.628 43 A CB -0.610 18.347 19.000 -0.072 0.000 0.814 43 A HN 0.256 nan 8.150 nan 0.000 0.444 44 A N -0.632 122.101 122.820 -0.144 0.000 1.897 44 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 44 A C 2.206 179.677 177.584 -0.188 0.000 1.181 44 A CA 1.595 53.534 52.037 -0.164 0.000 0.620 44 A CB -0.828 18.074 19.000 -0.162 0.000 0.821 44 A HN 0.357 nan 8.150 nan 0.000 0.443 45 V N -0.931 118.829 119.914 -0.257 0.000 2.343 45 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 45 V C 2.679 178.650 176.094 -0.205 0.000 1.051 45 V CA 1.878 63.985 62.300 -0.322 0.000 1.036 45 V CB -1.171 30.224 31.823 -0.714 0.000 0.654 45 V HN 0.788 nan 8.190 nan 0.000 0.451 46 C N 0.445 119.652 119.300 -0.155 0.000 2.413 46 C HA -0.160 4.300 4.460 -0.000 0.000 0.276 46 C C 3.083 178.030 174.990 -0.071 0.000 1.248 46 C CA 0.989 59.961 59.018 -0.076 0.000 1.742 46 C CB -1.249 26.463 27.740 -0.045 0.000 2.017 46 C HN 0.591 nan 8.230 nan 0.000 0.481 47 A N 0.294 123.055 122.820 -0.098 0.000 1.877 47 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 47 A C 2.495 180.026 177.584 -0.087 0.000 1.186 47 A CA 2.306 54.283 52.037 -0.101 0.000 0.620 47 A CB -1.216 17.698 19.000 -0.142 0.000 0.822 47 A HN 0.855 nan 8.150 nan 0.000 0.443 48 A N -0.236 122.523 122.820 -0.103 0.000 1.902 48 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 48 A C 2.185 179.768 177.584 -0.001 0.000 1.181 48 A CA 2.206 54.194 52.037 -0.081 0.000 0.623 48 A CB -0.453 18.475 19.000 -0.119 0.000 0.818 48 A HN 0.471 nan 8.150 nan 0.000 0.443 49 R N 0.349 120.841 120.500 -0.013 0.000 2.081 49 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 49 R C 2.018 178.382 176.300 0.107 0.000 1.131 49 R CA 2.182 58.313 56.100 0.051 0.000 0.960 49 R CB -0.677 29.631 30.300 0.014 0.000 0.856 49 R HN 0.687 nan 8.270 nan 0.000 0.436 50 E N -0.797 119.431 120.200 0.047 0.000 2.077 50 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 50 E C 1.545 178.180 176.600 0.058 0.000 0.989 50 E CA 1.354 57.779 56.400 0.041 0.000 0.800 50 E CB -0.192 29.508 29.700 0.001 0.000 0.746 50 E HN 0.464 nan 8.360 nan 0.000 0.452 51 A N 0.043 122.897 122.820 0.055 0.000 2.067 51 A HA -0.049 4.270 4.320 -0.000 0.000 0.217 51 A C 1.817 179.494 177.584 0.154 0.000 1.156 51 A CA 0.479 52.552 52.037 0.060 0.000 0.683 51 A CB -0.620 18.366 19.000 -0.022 0.000 0.808 51 A HN 0.500 nan 8.150 nan 0.000 0.455 52 F N 1.890 121.874 119.950 0.057 0.000 2.095 52 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 52 F C -0.845 175.038 175.800 0.139 0.000 1.104 52 F CA 1.677 59.749 58.000 0.120 0.000 1.232 52 F CB -1.262 37.791 39.000 0.088 0.000 0.987 52 F HN 0.140 nan 8.300 nan 0.000 0.475 53 P HA -0.163 nan 4.420 nan 0.000 0.215 53 P C 1.624 178.782 177.300 -0.236 0.000 1.153 53 P CA 2.599 65.480 63.100 -0.367 0.000 0.853 53 P CB -0.367 31.260 31.700 -0.122 0.000 0.788 54 A N -1.188 121.589 122.820 -0.073 0.000 1.930 54 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 54 A C 2.221 179.824 177.584 0.031 0.000 1.175 54 A CA 1.086 53.115 52.037 -0.013 0.000 0.627 54 A CB -1.858 17.166 19.000 0.041 0.000 0.815 54 A HN 0.315 nan 8.150 nan 0.000 0.443 55 W N 0.595 121.820 121.300 -0.125 0.000 2.409 55 W HA -0.074 4.586 4.660 0.000 0.000 0.299 55 W C 2.158 178.607 176.519 -0.117 0.000 1.203 55 W CA 1.418 58.713 57.345 -0.084 0.000 1.298 55 W CB -0.090 29.355 29.460 -0.025 0.000 1.127 55 W HN 0.406 nan 8.180 nan 0.000 0.528 56 A N 1.233 123.920 122.820 -0.222 0.000 1.969 56 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 56 A C 1.970 179.378 177.584 -0.293 0.000 1.169 56 A CA 1.329 53.166 52.037 -0.333 0.000 0.635 56 A CB -0.694 17.979 19.000 -0.546 0.000 0.810 56 A HN 0.370 nan 8.150 nan 0.000 0.445 57 R N -0.562 119.788 120.500 -0.249 0.000 2.275 57 R HA 0.093 4.432 4.340 -0.000 0.000 0.199 57 R C 0.301 176.498 176.300 -0.172 0.000 0.989 57 R CA -0.159 55.833 56.100 -0.179 0.000 1.016 57 R CB -0.029 30.190 30.300 -0.135 0.000 0.918 57 R HN 0.372 nan 8.270 nan 0.000 0.473 58 R N 1.998 122.366 120.500 -0.220 0.000 2.698 58 R HA 0.025 4.364 4.340 -0.000 0.000 0.266 58 R C -2.284 173.878 176.300 -0.231 0.000 1.026 58 R CA -1.279 54.688 56.100 -0.222 0.000 1.102 58 R CB -0.229 29.866 30.300 -0.343 0.000 0.978 58 R HN -0.097 nan 8.270 nan 0.000 0.436 59 P HA -0.088 nan 4.420 nan 0.000 0.265 59 P C 0.677 177.857 177.300 -0.199 0.000 1.193 59 P CA -0.047 62.965 63.100 -0.146 0.000 0.765 59 P CB 0.453 32.094 31.700 -0.098 0.000 0.823 60 L N 3.778 124.891 121.223 -0.184 0.000 2.051 60 L HA -0.239 4.101 4.340 -0.000 0.000 0.214 60 L C 1.923 178.673 176.870 -0.200 0.000 1.076 60 L CA 2.142 56.842 54.840 -0.234 0.000 0.758 60 L CB -1.114 40.842 42.059 -0.173 0.000 0.890 60 L HN 0.286 nan 8.230 nan 0.000 0.433 61 E N -0.535 119.589 120.200 -0.127 0.000 2.204 61 E HA -0.220 4.129 4.350 -0.000 0.000 0.195 61 E C 2.222 178.775 176.600 -0.079 0.000 0.990 61 E CA 1.238 57.586 56.400 -0.086 0.000 0.821 61 E CB -0.117 29.551 29.700 -0.052 0.000 0.750 61 E HN 0.681 nan 8.360 nan 0.000 0.477 62 Q N -0.723 119.013 119.800 -0.106 0.000 2.187 62 Q HA 0.005 4.344 4.340 -0.000 0.000 0.199 62 Q C 2.137 178.085 176.000 -0.087 0.000 0.957 62 Q CA 0.750 56.507 55.803 -0.077 0.000 0.857 62 Q CB 0.060 28.747 28.738 -0.084 0.000 0.929 62 Q HN 0.170 nan 8.270 nan 0.000 0.453 63 R N 0.321 120.680 120.500 -0.235 0.000 2.092 63 R HA -0.064 4.275 4.340 -0.000 0.000 0.231 63 R C 2.212 178.505 176.300 -0.012 0.000 1.119 63 R CA 1.015 56.982 56.100 -0.221 0.000 0.970 63 R CB -0.295 29.692 30.300 -0.522 0.000 0.864 63 R HN 0.265 nan 8.270 nan 0.000 0.440 64 I N 1.218 121.746 120.570 -0.070 0.000 2.208 64 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 64 I C 2.066 178.212 176.117 0.048 0.000 1.097 64 I CA 1.515 62.805 61.300 -0.017 0.000 1.363 64 I CB -0.285 37.682 38.000 -0.054 0.000 1.051 64 I HN 0.215 nan 8.210 nan 0.000 0.413 65 E N 0.560 120.784 120.200 0.041 0.000 2.070 65 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 65 E C 2.110 178.780 176.600 0.116 0.000 1.004 65 E CA 1.529 57.968 56.400 0.064 0.000 0.805 65 E CB -0.246 29.483 29.700 0.050 0.000 0.744 65 E HN 0.358 nan 8.360 nan 0.000 0.451 66 L N 0.525 121.851 121.223 0.173 0.000 2.017 66 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 66 L C 1.991 179.035 176.870 0.290 0.000 1.073 66 L CA 1.455 56.448 54.840 0.256 0.000 0.745 66 L CB -0.246 42.039 42.059 0.377 0.000 0.894 66 L HN 0.056 nan 8.230 nan 0.000 0.432 67 L N -0.057 121.343 121.223 0.296 0.000 2.083 67 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 67 L C 2.541 179.528 176.870 0.196 0.000 1.083 67 L CA 1.711 56.735 54.840 0.307 0.000 0.752 67 L CB -1.018 41.203 42.059 0.270 0.000 0.899 67 L HN 0.389 nan 8.230 nan 0.000 0.433 68 E N -0.985 119.291 120.200 0.126 0.000 2.072 68 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 68 E C 2.322 178.947 176.600 0.041 0.000 0.985 68 E CA 0.799 57.237 56.400 0.064 0.000 0.801 68 E CB -0.143 29.584 29.700 0.045 0.000 0.750 68 E HN 0.334 nan 8.360 nan 0.000 0.452 69 R N 0.201 120.746 120.500 0.075 0.000 2.096 69 R HA -0.166 4.173 4.340 -0.000 0.000 0.235 69 R C 2.191 178.507 176.300 0.027 0.000 1.127 69 R CA 1.114 57.247 56.100 0.055 0.000 0.968 69 R CB -0.228 30.126 30.300 0.090 0.000 0.861 69 R HN 0.158 nan 8.270 nan 0.000 0.440 70 F N 0.905 120.774 119.950 -0.135 0.000 2.102 70 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 70 F C 2.035 177.647 175.800 -0.313 0.000 1.105 70 F CA 1.444 59.237 58.000 -0.346 0.000 1.239 70 F CB -0.644 37.890 39.000 -0.776 0.000 0.991 70 F HN 0.060 nan 8.300 nan 0.000 0.474 71 A N 0.601 123.189 122.820 -0.388 0.000 1.908 71 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 71 A C 2.423 179.813 177.584 -0.323 0.000 1.181 71 A CA 1.934 53.718 52.037 -0.421 0.000 0.627 71 A CB -1.621 17.281 19.000 -0.164 0.000 0.818 71 A HN 0.545 nan 8.150 nan 0.000 0.445 72 A N -1.242 121.461 122.820 -0.196 0.000 1.969 72 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 72 A C 2.251 179.740 177.584 -0.159 0.000 1.169 72 A CA 2.136 54.091 52.037 -0.136 0.000 0.635 72 A CB -1.019 17.939 19.000 -0.070 0.000 0.810 72 A HN 0.434 nan 8.150 nan 0.000 0.445 73 T N 0.411 114.841 114.554 -0.207 0.000 2.812 73 T HA -0.016 4.334 4.350 -0.000 0.000 0.264 73 T C 1.799 176.349 174.700 -0.250 0.000 1.042 73 T CA 1.225 63.214 62.100 -0.185 0.000 1.140 73 T CB -0.330 68.453 68.868 -0.143 0.000 0.870 73 T HN 0.371 nan 8.240 nan 0.000 0.445 74 L N 0.639 121.598 121.223 -0.440 0.000 2.042 74 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 74 L C 2.695 179.428 176.870 -0.227 0.000 1.076 74 L CA 1.445 56.050 54.840 -0.391 0.000 0.749 74 L CB -0.506 41.214 42.059 -0.565 0.000 0.893 74 L HN 0.224 nan 8.230 nan 0.000 0.432 75 K N -0.338 119.939 120.400 -0.204 0.000 2.057 75 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 75 K C 2.225 178.772 176.600 -0.088 0.000 1.049 75 K CA 1.620 57.833 56.287 -0.124 0.000 0.931 75 K CB -0.162 32.276 32.500 -0.102 0.000 0.714 75 K HN 0.189 nan 8.250 nan 0.000 0.440 76 S N 0.741 116.388 115.700 -0.090 0.000 2.423 76 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 76 S C 1.228 175.798 174.600 -0.049 0.000 1.014 76 S CA 1.001 59.166 58.200 -0.058 0.000 0.965 76 S CB -0.006 63.163 63.200 -0.052 0.000 0.785 76 S HN 0.286 nan 8.310 nan 0.000 0.495 77 R N 0.364 120.825 120.500 -0.065 0.000 2.633 77 R HA 0.408 4.748 4.340 -0.000 0.000 0.348 77 R C 1.558 177.833 176.300 -0.043 0.000 1.100 77 R CA 0.215 56.288 56.100 -0.045 0.000 1.068 77 R CB 0.119 30.392 30.300 -0.046 0.000 1.351 77 R HN 0.270 nan 8.270 nan 0.000 0.575 78 A N 1.239 124.032 122.820 -0.046 0.000 1.902 78 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 78 A C 1.348 178.925 177.584 -0.012 0.000 1.181 78 A CA 1.499 53.513 52.037 -0.038 0.000 0.623 78 A CB -0.079 18.899 19.000 -0.037 0.000 0.818 78 A HN 0.129 nan 8.150 nan 0.000 0.443 79 D N -0.598 119.802 120.400 -0.001 0.000 2.097 79 D HA -0.149 4.490 4.640 -0.000 0.000 0.197 79 D C 1.901 178.215 176.300 0.022 0.000 0.984 79 D CA 1.433 55.444 54.000 0.018 0.000 0.826 79 D CB -0.423 40.390 40.800 0.022 0.000 0.973 79 D HN 0.712 nan 8.370 nan 0.000 0.460 80 E N 0.046 120.253 120.200 0.013 0.000 2.058 80 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 80 E C 2.060 178.665 176.600 0.009 0.000 0.997 80 E CA 0.656 57.065 56.400 0.015 0.000 0.801 80 E CB -0.069 29.636 29.700 0.008 0.000 0.746 80 E HN 0.070 nan 8.360 nan 0.000 0.450 81 L N 0.850 122.073 121.223 -0.002 0.000 2.056 81 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 81 L C 2.277 179.141 176.870 -0.011 0.000 1.078 81 L CA 2.079 56.916 54.840 -0.005 0.000 0.749 81 L CB -0.842 41.209 42.059 -0.014 0.000 0.901 81 L HN 0.182 nan 8.230 nan 0.000 0.433 82 A N -0.502 122.316 122.820 -0.003 0.000 1.940 82 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 82 A C 2.422 180.003 177.584 -0.006 0.000 1.176 82 A CA 1.694 53.730 52.037 -0.002 0.000 0.631 82 A CB -0.506 18.507 19.000 0.022 0.000 0.814 82 A HN 0.489 nan 8.150 nan 0.000 0.446 83 R N -0.794 119.720 120.500 0.024 0.000 2.075 83 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 83 R C 2.049 178.255 176.300 -0.156 0.000 1.126 83 R CA 1.496 57.622 56.100 0.043 0.000 0.963 83 R CB -0.565 29.800 30.300 0.107 0.000 0.858 83 R HN 0.408 nan 8.270 nan 0.000 0.435 84 V N 1.416 121.270 119.914 -0.100 0.000 2.427 84 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 84 V C 2.270 178.258 176.094 -0.176 0.000 1.051 84 V CA 1.553 63.778 62.300 -0.125 0.000 1.048 84 V CB -0.362 31.435 31.823 -0.043 0.000 0.666 84 V HN 0.266 nan 8.190 nan 0.000 0.456 85 I N 0.729 121.216 120.570 -0.138 0.000 2.179 85 I HA -0.186 3.983 4.170 -0.000 0.000 0.242 85 I C 2.608 178.574 176.117 -0.252 0.000 1.088 85 I CA 1.780 62.997 61.300 -0.138 0.000 1.357 85 I CB -0.923 37.028 38.000 -0.082 0.000 1.051 85 I HN 0.409 nan 8.210 nan 0.000 0.409 86 G N 0.185 108.771 108.800 -0.357 0.000 2.446 86 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.217 86 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.217 86 G C 1.515 175.776 174.900 -1.064 0.000 1.168 86 G CA 0.728 45.468 45.100 -0.601 0.000 0.771 86 G HN 0.387 nan 8.290 nan 0.000 0.551 87 E N -0.138 119.320 120.200 -1.237 0.000 2.058 87 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 87 E C 2.370 178.751 176.600 -0.365 0.000 0.997 87 E CA 1.271 57.170 56.400 -0.835 0.000 0.801 87 E CB -0.065 29.377 29.700 -0.430 0.000 0.746 87 E HN 0.579 nan 8.360 nan 0.000 0.450 88 E N -0.928 119.110 120.200 -0.270 0.000 2.190 88 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 88 E C 1.802 178.331 176.600 -0.119 0.000 0.978 88 E CA 1.360 57.674 56.400 -0.143 0.000 0.839 88 E CB 0.357 29.995 29.700 -0.104 0.000 0.787 88 E HN 0.282 nan 8.360 nan 0.000 0.473 89 T N -4.313 110.158 114.554 -0.139 0.000 3.022 89 T HA 0.273 4.623 4.350 -0.000 0.000 0.250 89 T C 1.469 176.116 174.700 -0.089 0.000 1.060 89 T CA 0.542 62.589 62.100 -0.089 0.000 1.013 89 T CB 0.950 69.771 68.868 -0.079 0.000 0.982 89 T HN 0.224 nan 8.240 nan 0.000 0.508 90 G N 1.700 110.434 108.800 -0.110 0.000 2.179 90 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.260 90 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.260 90 G C 0.039 174.921 174.900 -0.029 0.000 0.977 90 G CA 0.256 45.339 45.100 -0.029 0.000 0.641 90 G HN 0.814 nan 8.290 nan 0.000 0.533 91 K N 1.679 122.009 120.400 -0.116 0.000 2.472 91 K HA 0.308 4.627 4.320 -0.000 0.000 0.280 91 K C -1.955 174.562 176.600 -0.140 0.000 1.028 91 K CA -1.147 55.025 56.287 -0.191 0.000 1.045 91 K CB 0.446 32.798 32.500 -0.247 0.000 0.902 91 K HN 0.091 nan 8.250 nan 0.000 0.478 92 P HA -0.113 nan 4.420 nan 0.000 0.266 92 P C 0.552 177.710 177.300 -0.236 0.000 1.193 92 P CA 0.225 63.200 63.100 -0.208 0.000 0.770 92 P CB 0.503 31.961 31.700 -0.404 0.000 0.836 93 L N 2.060 123.290 121.223 0.013 0.000 2.079 93 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 93 L C 2.361 179.249 176.870 0.029 0.000 1.081 93 L CA 1.450 56.332 54.840 0.071 0.000 0.752 93 L CB -0.787 41.359 42.059 0.145 0.000 0.896 93 L HN 0.641 nan 8.230 nan 0.000 0.433 94 W N 0.378 121.706 121.300 0.047 0.000 2.363 94 W HA -0.201 4.459 4.660 -0.000 0.000 0.296 94 W C 1.815 178.351 176.519 0.028 0.000 1.212 94 W CA 1.344 58.710 57.345 0.036 0.000 1.260 94 W CB -0.764 28.719 29.460 0.039 0.000 1.131 94 W HN 0.295 nan 8.180 nan 0.000 0.530 95 E N 0.906 120.616 120.200 -0.817 0.000 2.122 95 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 95 E C 2.255 178.657 176.600 -0.331 0.000 0.977 95 E CA 1.138 57.053 56.400 -0.808 0.000 0.820 95 E CB -0.072 28.788 29.700 -1.400 0.000 0.770 95 E HN 0.049 nan 8.360 nan 0.000 0.462 96 S N 0.574 116.110 115.700 -0.274 0.000 2.383 96 S HA -0.160 4.309 4.470 -0.000 0.000 0.229 96 S C 1.975 176.545 174.600 -0.049 0.000 1.030 96 S CA 1.000 59.120 58.200 -0.132 0.000 1.002 96 S CB -0.154 62.987 63.200 -0.098 0.000 0.829 96 S HN 0.442 nan 8.310 nan 0.000 0.467 97 A N 1.521 124.332 122.820 -0.014 0.000 1.930 97 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 97 A C 2.428 180.028 177.584 0.026 0.000 1.175 97 A CA 2.054 54.106 52.037 0.025 0.000 0.627 97 A CB -1.365 17.675 19.000 0.065 0.000 0.815 97 A HN 0.645 nan 8.150 nan 0.000 0.443 98 T N -1.904 112.673 114.554 0.037 0.000 2.788 98 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 98 T C 1.718 176.421 174.700 0.005 0.000 1.044 98 T CA 1.584 63.707 62.100 0.039 0.000 1.139 98 T CB -0.355 68.562 68.868 0.083 0.000 0.867 98 T HN 0.634 nan 8.240 nan 0.000 0.454 99 E N 0.652 120.863 120.200 0.018 0.000 2.077 99 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 99 E C 2.175 178.791 176.600 0.027 0.000 0.989 99 E CA 1.267 57.699 56.400 0.053 0.000 0.800 99 E CB -0.226 29.556 29.700 0.136 0.000 0.746 99 E HN 0.440 nan 8.360 nan 0.000 0.452 100 V N 0.754 120.675 119.914 0.012 0.000 2.343 100 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 100 V C 2.375 178.450 176.094 -0.031 0.000 1.051 100 V CA 2.153 64.447 62.300 -0.011 0.000 1.036 100 V CB -0.779 31.029 31.823 -0.024 0.000 0.654 100 V HN 0.380 nan 8.190 nan 0.000 0.451 101 T N -0.182 114.357 114.554 -0.025 0.000 2.788 101 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 101 T C 1.258 175.937 174.700 -0.036 0.000 1.044 101 T CA 1.111 63.193 62.100 -0.031 0.000 1.139 101 T CB -0.136 68.723 68.868 -0.014 0.000 0.867 101 T HN 0.495 nan 8.240 nan 0.000 0.454 105 N N 1.081 119.775 118.700 -0.010 0.000 2.453 105 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 105 N C 1.471 177.008 175.510 0.045 0.000 1.041 105 N CA 1.371 54.430 53.050 0.014 0.000 0.900 105 N CB -0.166 38.329 38.487 0.013 0.000 0.961 105 N HN 0.475 nan 8.380 nan 0.000 0.443 106 K N 1.018 121.457 120.400 0.064 0.000 2.147 106 K HA 0.009 4.328 4.320 -0.000 0.000 0.205 106 K C 1.599 178.249 176.600 0.084 0.000 1.049 106 K CA 0.665 57.002 56.287 0.084 0.000 0.936 106 K CB -0.303 32.255 32.500 0.097 0.000 0.722 106 K HN -0.098 nan 8.250 nan 0.000 0.446 107 V N 0.686 120.652 119.914 0.085 0.000 2.261 107 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 107 V C 2.342 178.477 176.094 0.068 0.000 1.047 107 V CA 2.060 64.415 62.300 0.093 0.000 1.015 107 V CB -0.908 30.974 31.823 0.097 0.000 0.642 107 V HN 0.493 nan 8.190 nan 0.000 0.446 108 A N -0.303 122.550 122.820 0.056 0.000 1.930 108 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 108 A C 2.144 179.772 177.584 0.074 0.000 1.175 108 A CA 1.726 53.796 52.037 0.055 0.000 0.627 108 A CB -0.545 18.482 19.000 0.046 0.000 0.815 108 A HN 0.534 nan 8.150 nan 0.000 0.443 109 I N -0.223 120.401 120.570 0.089 0.000 2.315 109 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 109 I C 2.546 178.714 176.117 0.086 0.000 1.117 109 I CA 1.328 62.709 61.300 0.134 0.000 1.404 109 I CB -0.274 37.823 38.000 0.163 0.000 1.071 109 I HN 0.193 nan 8.210 nan 0.000 0.419 110 S N 0.404 116.133 115.700 0.050 0.000 2.382 110 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 110 S C 2.120 176.731 174.600 0.019 0.000 1.027 110 S CA 1.064 59.267 58.200 0.005 0.000 0.991 110 S CB -0.244 62.974 63.200 0.030 0.000 0.823 110 S HN 0.227 nan 8.310 nan 0.000 0.469 111 V N 1.850 121.786 119.914 0.036 0.000 2.358 111 V HA -0.204 3.915 4.120 -0.000 0.000 0.246 111 V C 2.585 178.728 176.094 0.082 0.000 1.047 111 V CA 1.832 64.157 62.300 0.042 0.000 1.035 111 V CB -0.669 31.168 31.823 0.023 0.000 0.658 111 V HN 0.507 nan 8.190 nan 0.000 0.452 112 Q N 0.024 119.870 119.800 0.075 0.000 2.050 112 Q HA -0.212 4.127 4.340 -0.000 0.000 0.202 112 Q C 2.269 178.288 176.000 0.031 0.000 0.980 112 Q CA 2.015 57.880 55.803 0.103 0.000 0.840 112 Q CB -0.269 28.578 28.738 0.182 0.000 0.898 112 Q HN 0.618 nan 8.270 nan 0.000 0.424 113 A N 0.240 122.953 122.820 -0.178 0.000 1.933 113 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 113 A C 1.844 179.261 177.584 -0.278 0.000 1.175 113 A CA 1.243 52.916 52.037 -0.607 0.000 0.628 113 A CB -0.957 17.431 19.000 -1.019 0.000 0.814 113 A HN 0.620 nan 8.150 nan 0.000 0.444 114 F N 0.674 120.476 119.950 -0.246 0.000 2.102 114 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 114 F C 2.455 178.150 175.800 -0.175 0.000 1.105 114 F CA 1.973 59.851 58.000 -0.203 0.000 1.239 114 F CB -0.138 38.780 39.000 -0.137 0.000 0.991 114 F HN 0.102 nan 8.300 nan 0.000 0.474 115 R N -0.030 120.515 120.500 0.076 0.000 2.092 115 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 115 R C 2.252 178.493 176.300 -0.098 0.000 1.119 115 R CA 1.567 57.669 56.100 0.004 0.000 0.970 115 R CB -0.574 29.779 30.300 0.089 0.000 0.864 115 R HN 0.470 nan 8.270 nan 0.000 0.440 116 E N 0.432 120.586 120.200 -0.077 0.000 2.046 116 E HA -0.130 4.219 4.350 -0.000 0.000 0.190 116 E C 1.822 178.336 176.600 -0.144 0.000 0.982 116 E CA 0.873 57.244 56.400 -0.048 0.000 0.800 116 E CB 0.314 30.061 29.700 0.078 0.000 0.756 116 E HN 0.098 nan 8.360 nan 0.000 0.449 117 R N -0.570 119.770 120.500 -0.267 0.000 2.225 117 R HA 0.064 4.404 4.340 -0.000 0.000 0.194 117 R C 1.061 177.008 176.300 -0.589 0.000 0.957 117 R CA 1.205 57.102 56.100 -0.339 0.000 1.042 117 R CB 0.595 30.687 30.300 -0.346 0.000 1.004 117 R HN 0.207 nan 8.270 nan 0.000 0.509 118 T N -2.218 111.818 114.554 -0.863 0.000 3.584 118 T HA 0.444 4.794 4.350 -0.000 0.000 0.259 118 T C 0.509 174.420 174.700 -1.314 0.000 1.009 118 T CA -0.395 60.756 62.100 -1.582 0.000 1.103 118 T CB 0.863 68.982 68.868 -1.248 0.000 1.099 118 T HN 0.106 nan 8.240 nan 0.000 0.539 119 G N 0.487 108.877 108.800 -0.684 0.000 2.630 119 G HA2 0.637 4.596 3.960 -0.000 0.000 0.223 119 G HA3 0.637 4.596 3.960 -0.000 0.000 0.223 119 G C -1.004 173.882 174.900 -0.024 0.000 1.434 119 G CA -0.742 44.164 45.100 -0.322 0.000 1.057 119 G HN 0.529 nan 8.290 nan 0.000 0.570 120 E N -0.795 119.404 120.200 -0.001 0.000 2.256 120 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 120 E C -1.128 175.476 176.600 0.008 0.000 0.877 120 E CA -0.613 55.799 56.400 0.020 0.000 0.757 120 E CB 1.427 31.139 29.700 0.021 0.000 1.183 120 E HN 0.291 nan 8.360 nan 0.000 0.418 121 K N 1.733 122.134 120.400 0.001 0.000 2.426 121 K HA 0.533 4.853 4.320 -0.000 0.000 0.251 121 K C -1.388 175.207 176.600 -0.008 0.000 0.941 121 K CA -0.942 55.344 56.287 -0.002 0.000 0.808 121 K CB 2.291 34.791 32.500 -0.000 0.000 1.265 121 K HN 0.314 nan 8.250 nan 0.000 0.432 122 S N 0.478 116.174 115.700 -0.006 0.000 2.548 122 S HA 0.821 5.291 4.470 -0.000 0.000 0.276 122 S C -1.197 173.399 174.600 -0.005 0.000 1.129 122 S CA -0.457 57.738 58.200 -0.008 0.000 0.931 122 S CB 1.574 64.770 63.200 -0.007 0.000 1.068 122 S HN 0.842 nan 8.310 nan 0.000 0.480 123 G N 3.171 111.968 108.800 -0.006 0.000 2.623 123 G HA2 0.651 4.610 3.960 -0.000 0.000 0.290 123 G HA3 0.651 4.610 3.960 -0.000 0.000 0.290 123 G C -3.608 171.289 174.900 -0.005 0.000 1.437 123 G CA -1.005 44.092 45.100 -0.004 0.000 0.798 123 G HN 0.529 nan 8.290 nan 0.000 0.488 124 P HA 0.493 nan 4.420 nan 0.000 0.275 124 P C -0.728 176.570 177.300 -0.004 0.000 1.227 124 P CA -0.393 62.705 63.100 -0.003 0.000 0.781 124 P CB 1.407 33.105 31.700 -0.002 0.000 0.906 125 L N 2.242 123.463 121.223 -0.004 0.000 2.482 125 L HA 0.600 4.940 4.340 -0.000 0.000 0.269 125 L C 0.321 177.188 176.870 -0.003 0.000 0.967 125 L CA -0.329 54.509 54.840 -0.004 0.000 0.851 125 L CB 1.066 43.122 42.059 -0.005 0.000 1.242 125 L HN 0.663 nan 8.230 nan 0.000 0.404 126 A N 3.976 126.794 122.820 -0.003 0.000 5.391 126 A HA -0.328 3.992 4.320 -0.000 0.000 0.315 126 A C 0.445 178.028 177.584 -0.002 0.000 1.874 126 A CA 1.547 53.583 52.037 -0.002 0.000 0.714 126 A CB -1.445 17.553 19.000 -0.002 0.000 1.335 126 A HN 1.086 nan 8.150 nan 0.000 0.382 127 D N 0.579 120.978 120.400 -0.002 0.000 2.615 127 D HA 0.624 5.264 4.640 -0.000 0.000 0.236 127 D C 0.064 176.362 176.300 -0.003 0.000 1.233 127 D CA 1.074 55.073 54.000 -0.002 0.000 0.829 127 D CB -0.433 40.366 40.800 -0.002 0.000 1.024 127 D HN 1.500 nan 8.370 nan 0.000 0.490 128 A N -0.634 122.184 122.820 -0.003 0.000 2.552 128 A HA 0.753 5.073 4.320 -0.000 0.000 0.288 128 A C -0.703 176.878 177.584 -0.005 0.000 1.193 128 A CA -0.740 51.295 52.037 -0.004 0.000 0.713 128 A CB 1.325 20.322 19.000 -0.004 0.000 1.305 128 A HN 0.024 nan 8.150 nan 0.000 0.424 129 T N 1.357 115.907 114.554 -0.006 0.000 2.779 129 T HA 0.626 4.975 4.350 -0.000 0.000 0.280 129 T C -0.076 174.619 174.700 -0.010 0.000 0.987 129 T CA 0.237 62.333 62.100 -0.007 0.000 0.966 129 T CB 1.283 70.147 68.868 -0.007 0.000 0.933 129 T HN 1.213 nan 8.240 nan 0.000 0.442 130 A N 3.379 126.193 122.820 -0.010 0.000 2.276 130 A HA 0.689 5.009 4.320 -0.000 0.000 0.300 130 A C -0.267 177.306 177.584 -0.018 0.000 1.235 130 A CA -0.520 51.509 52.037 -0.014 0.000 0.867 130 A CB 0.272 19.264 19.000 -0.013 0.000 1.137 130 A HN 0.691 nan 8.150 nan 0.000 0.527 131 V N 3.492 123.392 119.914 -0.024 0.000 2.604 131 V HA 0.477 4.597 4.120 -0.000 0.000 0.305 131 V C -0.666 175.398 176.094 -0.050 0.000 1.043 131 V CA -0.634 61.648 62.300 -0.031 0.000 0.888 131 V CB 1.519 33.325 31.823 -0.028 0.000 0.995 131 V HN 0.825 nan 8.190 nan 0.000 0.429 132 L N 5.871 127.059 121.223 -0.058 0.000 2.313 132 L HA 0.727 5.067 4.340 -0.000 0.000 0.283 132 L C -0.145 176.651 176.870 -0.122 0.000 1.013 132 L CA 0.139 54.914 54.840 -0.108 0.000 0.816 132 L CB 1.172 43.178 42.059 -0.088 0.000 1.236 132 L HN 0.672 nan 8.230 nan 0.000 0.419 133 R N 2.713 123.087 120.500 -0.209 0.000 2.930 133 R HA 0.676 5.016 4.340 -0.000 0.000 0.257 133 R C -1.321 174.734 176.300 -0.408 0.000 1.107 133 R CA -1.114 54.882 56.100 -0.173 0.000 0.999 133 R CB 1.851 32.082 30.300 -0.115 0.000 1.209 133 R HN 0.624 nan 8.270 nan 0.000 0.486 134 H N -0.096 118.852 119.070 -0.204 0.000 2.679 134 H HA 0.412 4.968 4.556 -0.000 0.000 0.360 134 H C -0.961 174.183 175.328 -0.305 0.000 1.105 134 H CA -0.771 55.103 56.048 -0.290 0.000 1.196 134 H CB 1.852 31.426 29.762 -0.314 0.000 1.636 134 H HN 0.118 nan 8.280 nan 0.000 0.531 135 K N 3.026 123.148 120.400 -0.465 0.000 2.328 135 K HA 0.391 4.711 4.320 -0.000 0.000 0.246 135 K C -2.754 173.643 176.600 -0.338 0.000 0.955 135 K CA -2.163 53.867 56.287 -0.428 0.000 0.817 135 K CB 2.134 34.272 32.500 -0.602 0.000 1.208 135 K HN 0.370 nan 8.250 nan 0.000 0.432 136 P HA 0.063 nan 4.420 nan 0.000 0.274 136 P C -0.110 177.320 177.300 0.217 0.000 1.237 136 P CA -0.151 63.016 63.100 0.111 0.000 0.793 136 P CB 0.710 32.614 31.700 0.340 0.000 0.977 137 H N 0.109 119.372 119.070 0.322 0.000 2.372 137 H HA 0.075 4.631 4.556 -0.000 0.000 0.301 137 H C 1.473 176.741 175.328 -0.100 0.000 1.065 137 H CA 1.975 58.152 56.048 0.215 0.000 1.364 137 H CB -0.144 29.711 29.762 0.154 0.000 1.406 137 H HN 0.720 nan 8.280 nan 0.000 0.521 138 G N -0.165 108.459 108.800 -0.294 0.000 1.930 138 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.054 138 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.054 138 G C -1.056 173.451 174.900 -0.654 0.000 0.902 138 G CA -0.089 44.299 45.100 -1.186 0.000 1.168 138 G HN 0.141 nan 8.290 nan 0.000 0.383 139 V N 2.107 121.783 119.914 -0.396 0.000 2.383 139 V HA 0.607 4.727 4.120 -0.000 0.000 0.275 139 V C 0.518 176.493 176.094 -0.199 0.000 1.036 139 V CA -0.062 62.099 62.300 -0.232 0.000 0.889 139 V CB 0.853 32.564 31.823 -0.187 0.000 0.985 139 V HN 1.387 nan 8.190 nan 0.000 0.459 140 V N 2.588 122.377 119.914 -0.208 0.000 2.604 140 V HA 0.988 5.108 4.120 -0.000 0.000 0.305 140 V C 0.118 176.048 176.094 -0.273 0.000 1.043 140 V CA -0.877 61.218 62.300 -0.342 0.000 0.888 140 V CB 1.585 33.055 31.823 -0.588 0.000 0.995 140 V HN 0.943 nan 8.190 nan 0.000 0.429 141 A N 3.807 126.485 122.820 -0.236 0.000 2.327 141 A HA 0.805 5.125 4.320 -0.000 0.000 0.283 141 A C -0.318 177.233 177.584 -0.054 0.000 1.127 141 A CA -0.567 51.416 52.037 -0.090 0.000 0.810 141 A CB 1.181 20.247 19.000 0.109 0.000 1.066 141 A HN 1.348 nan 8.150 nan 0.000 0.492 142 V N 2.721 122.649 119.914 0.023 0.000 2.409 142 V HA 0.350 4.469 4.120 -0.000 0.000 0.291 142 V C -1.018 175.213 176.094 0.228 0.000 1.020 142 V CA -0.131 62.265 62.300 0.160 0.000 0.848 142 V CB 0.860 32.759 31.823 0.127 0.000 0.990 142 V HN 0.727 nan 8.190 nan 0.000 0.430 143 F N 3.020 123.075 119.950 0.174 0.000 2.385 143 F HA 0.655 5.181 4.527 -0.001 0.000 0.360 143 F C 1.080 176.964 175.800 0.140 0.000 1.122 143 F CA -0.320 57.792 58.000 0.187 0.000 1.090 143 F CB 1.570 40.728 39.000 0.263 0.000 1.150 143 F HN 0.570 nan 8.300 nan 0.000 0.472 144 G N 4.162 113.159 108.800 0.328 0.000 2.425 144 G HA2 0.616 4.576 3.960 -0.000 0.000 0.302 144 G HA3 0.616 4.576 3.960 -0.000 0.000 0.302 144 G C -2.825 172.137 174.900 0.103 0.000 1.159 144 G CA -1.409 43.865 45.100 0.291 0.000 0.865 144 G HN 0.311 nan 8.290 nan 0.000 0.515 145 P HA 0.238 nan 4.420 nan 0.000 0.289 145 P C -0.410 176.896 177.300 0.009 0.000 1.300 145 P CA -0.664 62.390 63.100 -0.076 0.000 0.828 145 P CB 1.204 32.794 31.700 -0.184 0.000 1.235 146 Y N -0.302 120.008 120.300 0.018 0.000 2.497 146 Y HA 0.139 4.689 4.550 -0.000 0.000 0.265 146 Y C 1.780 177.698 175.900 0.030 0.000 1.111 146 Y CA 0.445 58.556 58.100 0.020 0.000 1.288 146 Y CB -1.423 37.039 38.460 0.003 0.000 1.082 146 Y HN 0.145 nan 8.280 nan 0.000 0.536 147 N N 0.681 119.238 118.700 -0.239 0.000 2.250 147 N HA -0.112 4.628 4.740 -0.000 0.000 0.181 147 N C -0.388 174.964 175.510 -0.262 0.000 1.017 147 N CA 0.820 53.793 53.050 -0.129 0.000 0.866 147 N CB -0.669 37.782 38.487 -0.060 0.000 0.985 147 N HN 0.359 nan 8.380 nan 0.000 0.429 148 F N 1.236 121.188 119.950 0.003 0.000 2.449 148 F HA 0.437 4.964 4.527 -0.000 0.000 0.344 148 F C -1.697 174.130 175.800 0.045 0.000 1.180 148 F CA -2.164 55.855 58.000 0.032 0.000 1.209 148 F CB 1.902 40.940 39.000 0.063 0.000 1.440 148 F HN -0.061 nan 8.300 nan 0.000 0.526 149 P HA 0.002 nan 4.420 nan 0.000 0.233 149 P C 1.239 178.659 177.300 0.201 0.000 1.167 149 P CA 0.945 64.146 63.100 0.168 0.000 0.770 149 P CB 0.563 32.328 31.700 0.107 0.000 0.837 150 G N -0.810 108.110 108.800 0.201 0.000 2.742 150 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.204 150 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.204 150 G C 1.477 176.481 174.900 0.173 0.000 1.126 150 G CA 0.289 45.503 45.100 0.191 0.000 0.829 150 G HN 0.260 nan 8.290 nan 0.000 0.574 151 H N 0.571 119.702 119.070 0.103 0.000 2.357 151 H HA 0.176 4.732 4.556 -0.000 0.000 0.301 151 H C 2.341 177.613 175.328 -0.094 0.000 1.082 151 H CA 1.353 57.394 56.048 -0.012 0.000 1.342 151 H CB -0.213 29.491 29.762 -0.096 0.000 1.389 151 H HN 0.226 nan 8.280 nan 0.000 0.511 152 L N 0.012 121.101 121.223 -0.224 0.000 2.072 152 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 152 L C -0.461 176.240 176.870 -0.283 0.000 1.079 152 L CA 0.785 55.400 54.840 -0.375 0.000 0.752 152 L CB -0.914 41.044 42.059 -0.168 0.000 0.906 152 L HN 0.338 nan 8.230 nan 0.000 0.436 153 P HA -0.126 nan 4.420 nan 0.000 0.217 153 P C 0.999 178.188 177.300 -0.184 0.000 1.150 153 P CA 1.195 64.228 63.100 -0.112 0.000 0.832 153 P CB -0.033 31.536 31.700 -0.220 0.000 0.787 154 N N -0.252 118.365 118.700 -0.138 0.000 2.205 154 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 154 N C 1.812 177.282 175.510 -0.067 0.000 1.015 154 N CA 1.629 54.667 53.050 -0.019 0.000 0.862 154 N CB -1.033 37.507 38.487 0.088 0.000 0.986 154 N HN 0.020 nan 8.380 nan 0.000 0.429 155 G N -1.568 107.076 108.800 -0.260 0.000 2.509 155 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 155 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 155 G C 1.118 175.894 174.900 -0.207 0.000 1.124 155 G CA 0.580 45.499 45.100 -0.302 0.000 0.776 155 G HN 0.426 nan 8.290 nan 0.000 0.547 156 H N -0.177 118.897 119.070 0.006 0.000 2.439 156 H HA 0.216 4.772 4.556 -0.000 0.000 0.299 156 H C 2.608 178.018 175.328 0.138 0.000 1.033 156 H CA 0.246 56.378 56.048 0.140 0.000 1.348 156 H CB 0.105 30.016 29.762 0.248 0.000 1.449 156 H HN 0.303 nan 8.280 nan 0.000 0.544 157 I N 0.360 121.015 120.570 0.140 0.000 2.202 157 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 157 I C 2.477 178.627 176.117 0.055 0.000 1.091 157 I CA 0.694 62.002 61.300 0.013 0.000 1.368 157 I CB -0.168 37.722 38.000 -0.184 0.000 1.058 157 I HN -0.039 nan 8.210 nan 0.000 0.410 158 V N 1.762 121.760 119.914 0.140 0.000 2.233 158 V HA -0.174 3.945 4.120 -0.000 0.000 0.247 158 V C -0.355 175.823 176.094 0.139 0.000 1.050 158 V CA 2.279 64.701 62.300 0.203 0.000 1.010 158 V CB -1.992 29.969 31.823 0.229 0.000 0.637 158 V HN 0.327 nan 8.190 nan 0.000 0.444 159 P HA -0.090 nan 4.420 nan 0.000 0.219 159 P C 1.541 178.924 177.300 0.138 0.000 1.150 159 P CA 1.942 65.088 63.100 0.077 0.000 0.814 159 P CB -0.105 31.589 31.700 -0.011 0.000 0.787 160 A N 0.174 123.117 122.820 0.206 0.000 1.873 160 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 160 A C 2.341 180.072 177.584 0.244 0.000 1.186 160 A CA 1.306 53.522 52.037 0.298 0.000 0.616 160 A CB -1.567 17.668 19.000 0.391 0.000 0.823 160 A HN 0.100 nan 8.150 nan 0.000 0.442 161 L N -0.961 120.370 121.223 0.180 0.000 2.046 161 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 161 L C 2.565 179.643 176.870 0.347 0.000 1.077 161 L CA 1.127 56.143 54.840 0.294 0.000 0.747 161 L CB -0.644 41.464 42.059 0.081 0.000 0.896 161 L HN 0.463 nan 8.230 nan 0.000 0.432 162 L N 0.731 122.046 121.223 0.154 0.000 2.043 162 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 162 L C 2.542 179.282 176.870 -0.217 0.000 1.075 162 L CA 2.150 56.952 54.840 -0.063 0.000 0.752 162 L CB -0.686 41.296 42.059 -0.127 0.000 0.891 162 L HN 0.156 nan 8.230 nan 0.000 0.432 163 A N -1.403 121.413 122.820 -0.006 0.000 2.119 163 A HA 0.318 4.637 4.320 -0.000 0.000 0.217 163 A C 1.786 179.424 177.584 0.090 0.000 1.153 163 A CA 0.978 53.090 52.037 0.125 0.000 0.692 163 A CB -0.771 18.402 19.000 0.289 0.000 0.799 163 A HN 0.996 nan 8.150 nan 0.000 0.458 164 G N -1.354 107.518 108.800 0.121 0.000 2.159 164 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.170 164 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.170 164 G C -0.115 175.105 174.900 0.534 0.000 1.007 164 G CA -0.058 45.105 45.100 0.104 0.000 0.672 164 G HN 0.450 nan 8.290 nan 0.000 0.507 165 N N -0.443 118.550 118.700 0.488 0.000 2.424 165 N HA 0.487 5.226 4.740 -0.000 0.000 0.257 165 N C 0.091 175.827 175.510 0.377 0.000 1.250 165 N CA 0.591 53.892 53.050 0.417 0.000 0.946 165 N CB 1.223 39.864 38.487 0.257 0.000 1.175 165 N HN 0.239 nan 8.380 nan 0.000 0.477 166 C N 0.491 119.897 119.300 0.178 0.000 2.470 166 C HA 0.639 5.098 4.460 -0.000 0.000 0.341 166 C C 0.240 175.168 174.990 -0.104 0.000 1.190 166 C CA -0.616 58.381 59.018 -0.035 0.000 1.904 166 C CB 1.535 29.260 27.740 -0.025 0.000 2.354 166 C HN 0.345 nan 8.230 nan 0.000 0.509 167 V N 2.053 121.860 119.914 -0.179 0.000 2.680 167 V HA 0.585 4.705 4.120 -0.000 0.000 0.309 167 V C -0.645 175.358 176.094 -0.153 0.000 1.052 167 V CA -0.448 61.753 62.300 -0.165 0.000 0.908 167 V CB 1.958 33.667 31.823 -0.190 0.000 1.001 167 V HN 0.664 nan 8.190 nan 0.000 0.431 168 V N 4.763 124.602 119.914 -0.124 0.000 2.378 168 V HA 0.421 4.541 4.120 -0.000 0.000 0.288 168 V C -0.770 175.302 176.094 -0.036 0.000 1.016 168 V CA -0.474 61.764 62.300 -0.103 0.000 0.840 168 V CB 1.383 33.119 31.823 -0.145 0.000 0.994 168 V HN 0.676 nan 8.190 nan 0.000 0.431 169 F N 5.978 125.815 119.950 -0.189 0.000 2.404 169 F HA 0.554 5.081 4.527 -0.000 0.000 0.354 169 F C 0.020 175.697 175.800 -0.204 0.000 1.122 169 F CA -1.290 56.605 58.000 -0.175 0.000 1.080 169 F CB 1.168 40.097 39.000 -0.118 0.000 1.131 169 F HN 0.327 nan 8.300 nan 0.000 0.471 170 K N 8.937 129.136 120.400 -0.335 0.000 2.404 170 K HA 0.414 4.734 4.320 -0.000 0.000 0.257 170 K C -2.982 173.297 176.600 -0.537 0.000 1.026 170 K CA -2.072 53.890 56.287 -0.541 0.000 0.951 170 K CB 1.335 33.401 32.500 -0.724 0.000 1.203 170 K HN 0.332 nan 8.250 nan 0.000 0.446 171 P HA 0.027 nan 4.420 nan 0.000 0.274 171 P C -0.426 176.751 177.300 -0.204 0.000 1.237 171 P CA -0.352 62.430 63.100 -0.530 0.000 0.793 171 P CB 0.673 31.963 31.700 -0.684 0.000 0.977 172 S N 1.430 117.101 115.700 -0.048 0.000 2.558 172 S HA -0.064 4.406 4.470 -0.000 0.000 0.293 172 S C 1.426 175.989 174.600 -0.062 0.000 1.292 172 S CA -0.187 58.023 58.200 0.017 0.000 1.063 172 S CB -0.077 63.192 63.200 0.115 0.000 0.831 172 S HN 0.520 nan 8.310 nan 0.000 0.499 173 E N 4.941 125.121 120.200 -0.034 0.000 2.472 173 E HA -0.116 4.234 4.350 -0.000 0.000 0.200 173 E C 1.319 177.874 176.600 -0.075 0.000 1.046 173 E CA 0.845 57.203 56.400 -0.070 0.000 0.871 173 E CB -0.312 29.382 29.700 -0.010 0.000 0.806 173 E HN 0.796 nan 8.360 nan 0.000 0.533 174 L N 1.037 122.231 121.223 -0.048 0.000 2.446 174 L HA 0.071 4.411 4.340 -0.000 0.000 0.219 174 L C 1.194 178.020 176.870 -0.074 0.000 1.116 174 L CA 1.199 55.997 54.840 -0.069 0.000 0.844 174 L CB 0.145 42.129 42.059 -0.124 0.000 0.970 174 L HN 0.136 nan 8.230 nan 0.000 0.457 175 T N -4.737 109.765 114.554 -0.086 0.000 3.584 175 T HA 0.249 4.599 4.350 -0.000 0.000 0.259 175 T C -1.864 172.691 174.700 -0.241 0.000 1.009 175 T CA -1.056 60.979 62.100 -0.108 0.000 1.103 175 T CB 0.365 69.232 68.868 -0.002 0.000 1.099 175 T HN -0.102 nan 8.240 nan 0.000 0.539 176 P HA -0.069 nan 4.420 nan 0.000 0.219 176 P C 1.375 178.210 177.300 -0.774 0.000 1.150 176 P CA 0.834 63.439 63.100 -0.824 0.000 0.814 176 P CB 0.370 31.085 31.700 -1.642 0.000 0.787 177 K N 0.252 120.315 120.400 -0.563 0.000 2.097 177 K HA -0.050 4.269 4.320 -0.000 0.000 0.205 177 K C 1.992 178.550 176.600 -0.070 0.000 1.050 177 K CA 0.873 57.043 56.287 -0.196 0.000 0.938 177 K CB -0.317 32.211 32.500 0.048 0.000 0.718 177 K HN -0.109 nan 8.250 nan 0.000 0.442 178 V N 1.243 121.114 119.914 -0.072 0.000 2.407 178 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 178 V C 2.367 178.510 176.094 0.081 0.000 1.055 178 V CA 2.010 64.317 62.300 0.013 0.000 1.049 178 V CB -0.550 31.289 31.823 0.027 0.000 0.662 178 V HN 0.450 nan 8.190 nan 0.000 0.455 179 A N -0.600 122.245 122.820 0.040 0.000 1.929 179 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 179 A C 2.293 179.995 177.584 0.197 0.000 1.176 179 A CA 1.656 53.795 52.037 0.171 0.000 0.628 179 A CB -0.431 18.518 19.000 -0.085 0.000 0.816 179 A HN 0.614 nan 8.150 nan 0.000 0.444 180 E N -0.436 119.829 120.200 0.109 0.000 2.058 180 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 180 E C 1.873 178.618 176.600 0.242 0.000 0.997 180 E CA 1.532 58.075 56.400 0.238 0.000 0.801 180 E CB -0.202 29.623 29.700 0.208 0.000 0.746 180 E HN 0.425 nan 8.360 nan 0.000 0.450 181 L N 0.953 122.273 121.223 0.162 0.000 2.141 181 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 181 L C 2.221 179.202 176.870 0.185 0.000 1.094 181 L CA 1.846 56.770 54.840 0.140 0.000 0.763 181 L CB -0.628 41.481 42.059 0.084 0.000 0.908 181 L HN 0.112 nan 8.230 nan 0.000 0.437 182 T N -0.245 114.451 114.554 0.238 0.000 2.708 182 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 182 T C 1.895 176.860 174.700 0.442 0.000 1.037 182 T CA 1.284 63.583 62.100 0.331 0.000 1.146 182 T CB -0.260 68.841 68.868 0.388 0.000 0.865 182 T HN 0.141 nan 8.240 nan 0.000 0.435 183 L N 1.123 122.592 121.223 0.411 0.000 2.046 183 L HA -0.042 4.297 4.340 -0.000 0.000 0.208 183 L C 2.335 179.360 176.870 0.258 0.000 1.077 183 L CA 1.836 56.876 54.840 0.333 0.000 0.747 183 L CB -0.833 41.350 42.059 0.207 0.000 0.896 183 L HN 0.321 nan 8.230 nan 0.000 0.432 184 K N -0.698 119.874 120.400 0.286 0.000 2.147 184 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 184 K C 2.079 178.787 176.600 0.181 0.000 1.049 184 K CA 1.319 57.742 56.287 0.227 0.000 0.936 184 K CB -0.077 32.531 32.500 0.180 0.000 0.722 184 K HN 0.312 nan 8.250 nan 0.000 0.446 185 A N 0.466 123.405 122.820 0.199 0.000 1.873 185 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 185 A C 1.797 179.548 177.584 0.277 0.000 1.186 185 A CA 0.992 53.127 52.037 0.164 0.000 0.616 185 A CB -0.865 18.170 19.000 0.058 0.000 0.823 185 A HN 0.428 nan 8.150 nan 0.000 0.442 186 W N 0.022 121.494 121.300 0.287 0.000 2.338 186 W HA -0.146 4.514 4.660 -0.001 0.000 0.304 186 W C 2.059 178.589 176.519 0.017 0.000 1.212 186 W CA 1.130 58.514 57.345 0.065 0.000 1.264 186 W CB -0.257 29.077 29.460 -0.210 0.000 1.142 186 W HN 0.259 nan 8.180 nan 0.000 0.512 187 I N -0.471 120.227 120.570 0.213 0.000 2.202 187 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 187 I C 2.537 178.733 176.117 0.131 0.000 1.091 187 I CA 1.392 62.747 61.300 0.091 0.000 1.368 187 I CB -0.666 37.309 38.000 -0.041 0.000 1.058 187 I HN -0.048 nan 8.210 nan 0.000 0.410 188 Q N 1.475 121.355 119.800 0.134 0.000 2.096 188 Q HA -0.186 4.153 4.340 -0.000 0.000 0.204 188 Q C 2.070 178.139 176.000 0.115 0.000 0.982 188 Q CA 2.278 58.147 55.803 0.110 0.000 0.850 188 Q CB -0.403 28.386 28.738 0.085 0.000 0.901 188 Q HN 0.503 nan 8.270 nan 0.000 0.422 189 A N -1.110 121.801 122.820 0.151 0.000 2.172 189 A HA 0.259 4.579 4.320 -0.000 0.000 0.216 189 A C 1.507 179.190 177.584 0.166 0.000 1.154 189 A CA 1.188 53.321 52.037 0.160 0.000 0.701 189 A CB -0.673 18.464 19.000 0.229 0.000 0.789 189 A HN 0.798 nan 8.150 nan 0.000 0.465 190 G N -2.260 106.635 108.800 0.158 0.000 2.138 190 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.193 190 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.193 190 G C -0.077 174.903 174.900 0.133 0.000 0.998 190 G CA -0.044 45.138 45.100 0.137 0.000 0.668 190 G HN 0.604 nan 8.290 nan 0.000 0.516 191 L N 1.932 123.239 121.223 0.140 0.000 2.540 191 L HA 0.436 4.776 4.340 -0.000 0.000 0.276 191 L C -1.354 175.512 176.870 -0.005 0.000 1.212 191 L CA -1.335 53.529 54.840 0.039 0.000 0.893 191 L CB -0.025 42.032 42.059 -0.004 0.000 1.138 191 L HN 0.041 nan 8.230 nan 0.000 0.491 192 P HA 0.193 nan 4.420 nan 0.000 0.271 192 P C -1.002 176.240 177.300 -0.096 0.000 1.218 192 P CA -0.380 62.689 63.100 -0.051 0.000 0.780 192 P CB 0.534 32.216 31.700 -0.030 0.000 0.901 193 A N 2.566 125.352 122.820 -0.058 0.000 2.567 193 A HA 0.381 4.701 4.320 -0.000 0.000 0.240 193 A C 1.584 179.081 177.584 -0.146 0.000 1.053 193 A CA 0.885 52.860 52.037 -0.103 0.000 0.755 193 A CB -1.395 17.547 19.000 -0.097 0.000 0.978 193 A HN 0.900 nan 8.150 nan 0.000 0.507 194 G N 1.042 109.727 108.800 -0.192 0.000 2.225 194 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.254 194 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.254 194 G C 0.952 175.715 174.900 -0.227 0.000 0.988 194 G CA 0.635 45.622 45.100 -0.189 0.000 0.625 194 G HN 1.236 nan 8.290 nan 0.000 0.527 195 V N -0.174 119.545 119.914 -0.324 0.000 2.453 195 V HA 0.294 4.413 4.120 -0.000 0.000 0.247 195 V C 1.103 176.896 176.094 -0.503 0.000 1.048 195 V CA 1.987 63.960 62.300 -0.544 0.000 1.049 195 V CB 0.057 31.293 31.823 -0.978 0.000 0.672 195 V HN 0.546 nan 8.190 nan 0.000 0.457 196 L N 1.146 122.113 121.223 -0.426 0.000 2.381 196 L HA 0.553 4.893 4.340 -0.000 0.000 0.274 196 L C -0.821 175.936 176.870 -0.188 0.000 0.988 196 L CA -0.125 54.484 54.840 -0.384 0.000 0.824 196 L CB 1.686 43.368 42.059 -0.629 0.000 1.263 196 L HN 0.097 nan 8.230 nan 0.000 0.410 197 N N 4.507 123.123 118.700 -0.139 0.000 2.272 197 N HA 0.587 5.327 4.740 -0.000 0.000 0.305 197 N C -1.729 173.773 175.510 -0.014 0.000 1.103 197 N CA -0.580 52.424 53.050 -0.077 0.000 0.791 197 N CB 2.845 41.252 38.487 -0.133 0.000 1.356 197 N HN 0.485 nan 8.380 nan 0.000 0.486 198 L N 1.614 122.847 121.223 0.017 0.000 2.372 198 L HA 0.470 4.809 4.340 -0.000 0.000 0.274 198 L C -1.100 175.803 176.870 0.055 0.000 0.988 198 L CA -0.892 53.968 54.840 0.033 0.000 0.833 198 L CB 1.313 43.424 42.059 0.086 0.000 1.236 198 L HN 0.338 nan 8.230 nan 0.000 0.410 199 V N 2.645 122.544 119.914 -0.025 0.000 2.376 199 V HA 0.608 4.728 4.120 -0.000 0.000 0.287 199 V C -0.194 175.922 176.094 0.037 0.000 1.015 199 V CA -0.655 61.671 62.300 0.042 0.000 0.834 199 V CB 1.043 32.780 31.823 -0.143 0.000 1.001 199 V HN 0.769 nan 8.190 nan 0.000 0.428 200 Q N 2.797 122.779 119.800 0.303 0.000 2.306 200 Q HA 0.808 5.147 4.340 -0.000 0.000 0.241 200 Q C 0.431 176.531 176.000 0.167 0.000 0.948 200 Q CA 0.511 56.369 55.803 0.091 0.000 0.886 200 Q CB 1.969 30.735 28.738 0.048 0.000 1.227 200 Q HN 1.322 nan 8.270 nan 0.000 0.457 201 G N -0.615 108.206 108.800 0.035 0.000 2.337 201 G HA2 0.367 4.327 3.960 -0.000 0.000 0.298 201 G HA3 0.367 4.327 3.960 -0.000 0.000 0.298 201 G C -0.615 174.307 174.900 0.037 0.000 1.335 201 G CA -0.393 44.754 45.100 0.080 0.000 0.875 201 G HN 0.667 nan 8.290 nan 0.000 0.579 202 G N -0.990 107.846 108.800 0.060 0.000 2.714 202 G HA2 0.479 4.439 3.960 -0.000 0.000 0.197 202 G HA3 0.479 4.439 3.960 -0.000 0.000 0.197 202 G C 1.004 175.946 174.900 0.071 0.000 1.449 202 G CA -0.006 45.129 45.100 0.058 0.000 1.065 202 G HN 0.691 nan 8.290 nan 0.000 0.575 203 R N -0.130 120.414 120.500 0.074 0.000 2.115 203 R HA -0.025 4.315 4.340 -0.000 0.000 0.230 203 R C 2.357 178.704 176.300 0.078 0.000 1.111 203 R CA 1.233 57.384 56.100 0.085 0.000 0.976 203 R CB -0.211 30.130 30.300 0.069 0.000 0.870 203 R HN 0.743 nan 8.270 nan 0.000 0.445 204 E N 0.521 120.758 120.200 0.061 0.000 2.070 204 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 204 E C 1.199 177.831 176.600 0.054 0.000 1.004 204 E CA 1.986 58.417 56.400 0.051 0.000 0.805 204 E CB 0.045 29.771 29.700 0.044 0.000 0.744 204 E HN 0.203 nan 8.360 nan 0.000 0.451 205 T N -0.299 114.287 114.554 0.052 0.000 2.812 205 T HA -0.039 4.311 4.350 -0.000 0.000 0.264 205 T C 1.710 176.451 174.700 0.068 0.000 1.042 205 T CA 1.125 63.244 62.100 0.032 0.000 1.140 205 T CB -0.493 68.379 68.868 0.007 0.000 0.870 205 T HN 0.427 nan 8.240 nan 0.000 0.445 206 G N 0.954 109.832 108.800 0.129 0.000 2.402 206 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 206 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 206 G C 1.697 176.790 174.900 0.322 0.000 1.162 206 G CA 0.647 45.936 45.100 0.315 0.000 0.777 206 G HN 0.412 nan 8.290 nan 0.000 0.539 207 V N 1.525 121.545 119.914 0.177 0.000 2.343 207 V HA -0.136 3.983 4.120 -0.000 0.000 0.247 207 V C 3.318 179.479 176.094 0.112 0.000 1.051 207 V CA 2.018 64.390 62.300 0.119 0.000 1.036 207 V CB -0.760 31.104 31.823 0.068 0.000 0.654 207 V HN 0.469 nan 8.190 nan 0.000 0.451 208 A N -0.348 122.530 122.820 0.098 0.000 1.902 208 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 208 A C 2.146 179.809 177.584 0.132 0.000 1.181 208 A CA 2.065 54.152 52.037 0.084 0.000 0.623 208 A CB -0.524 18.510 19.000 0.056 0.000 0.818 208 A HN 0.444 nan 8.150 nan 0.000 0.443 209 L N -0.284 121.033 121.223 0.157 0.000 2.027 209 L HA 0.046 4.386 4.340 -0.000 0.000 0.206 209 L C 2.649 179.690 176.870 0.286 0.000 1.074 209 L CA 2.181 57.129 54.840 0.180 0.000 0.745 209 L CB -0.936 41.175 42.059 0.088 0.000 0.898 209 L HN 0.316 nan 8.230 nan 0.000 0.433 210 A N -0.567 122.478 122.820 0.375 0.000 2.019 210 A HA -0.055 4.264 4.320 -0.000 0.000 0.219 210 A C 2.278 179.972 177.584 0.183 0.000 1.164 210 A CA 1.574 53.789 52.037 0.297 0.000 0.644 210 A CB -0.988 18.091 19.000 0.131 0.000 0.805 210 A HN 0.559 nan 8.150 nan 0.000 0.449 211 A N -1.844 121.040 122.820 0.107 0.000 2.208 211 A HA 0.081 4.401 4.320 -0.000 0.000 0.209 211 A C 1.066 178.641 177.584 -0.015 0.000 1.161 211 A CA -0.044 51.990 52.037 -0.005 0.000 0.782 211 A CB -0.488 18.500 19.000 -0.021 0.000 0.816 211 A HN 0.589 nan 8.150 nan 0.000 0.477 212 H N 0.681 119.742 119.070 -0.015 0.000 2.848 212 H HA 0.227 4.783 4.556 -0.000 0.000 0.317 212 H C 0.795 176.090 175.328 -0.054 0.000 1.046 212 H CA 0.169 56.199 56.048 -0.031 0.000 1.470 212 H CB 0.566 30.320 29.762 -0.014 0.000 1.483 212 H HN 0.300 nan 8.280 nan 0.000 0.548 213 R N 2.406 122.841 120.500 -0.109 0.000 2.235 213 R HA -0.041 4.299 4.340 -0.000 0.000 0.213 213 R C 1.997 178.350 176.300 0.090 0.000 1.059 213 R CA 0.841 56.914 56.100 -0.045 0.000 0.997 213 R CB 0.205 30.429 30.300 -0.127 0.000 0.884 213 R HN 0.657 nan 8.270 nan 0.000 0.462 214 G N 0.694 109.712 108.800 0.362 0.000 2.679 214 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.212 214 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.212 214 G C 0.525 175.454 174.900 0.047 0.000 1.137 214 G CA -0.070 45.148 45.100 0.197 0.000 0.787 214 G HN 0.067 nan 8.290 nan 0.000 0.534 215 L N 0.840 122.099 121.223 0.060 0.000 2.397 215 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 215 L C 0.485 177.343 176.870 -0.021 0.000 1.148 215 L CA -0.480 54.355 54.840 -0.008 0.000 0.825 215 L CB 1.115 43.201 42.059 0.046 0.000 1.117 215 L HN 0.045 nan 8.230 nan 0.000 0.456 216 D N 1.560 121.916 120.400 -0.073 0.000 2.392 216 D HA 0.173 4.812 4.640 -0.000 0.000 0.206 216 D C 0.651 176.884 176.300 -0.111 0.000 1.046 216 D CA 0.397 54.355 54.000 -0.070 0.000 0.865 216 D CB 1.308 42.067 40.800 -0.068 0.000 0.969 216 D HN 0.687 nan 8.370 nan 0.000 0.509 217 G N 0.461 109.158 108.800 -0.172 0.000 2.698 217 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 217 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 217 G C -2.042 172.622 174.900 -0.393 0.000 1.437 217 G CA -0.592 44.331 45.100 -0.296 0.000 0.852 217 G HN 0.071 nan 8.290 nan 0.000 0.499 218 L N 0.738 121.726 121.223 -0.392 0.000 2.476 218 L HA 0.723 5.063 4.340 -0.000 0.000 0.269 218 L C -1.599 175.175 176.870 -0.159 0.000 0.965 218 L CA -0.862 53.802 54.840 -0.293 0.000 0.845 218 L CB 1.384 43.303 42.059 -0.234 0.000 1.259 218 L HN 0.371 nan 8.230 nan 0.000 0.403 219 F N 5.346 125.207 119.950 -0.149 0.000 2.426 219 F HA 0.475 5.001 4.527 -0.001 0.000 0.348 219 F C -0.403 175.228 175.800 -0.282 0.000 1.124 219 F CA -1.195 56.554 58.000 -0.418 0.000 1.008 219 F CB 1.450 40.052 39.000 -0.663 0.000 1.139 219 F HN 0.238 nan 8.300 nan 0.000 0.452 220 F N 2.118 121.960 119.950 -0.179 0.000 2.540 220 F HA 0.728 5.255 4.527 -0.001 0.000 0.317 220 F C -0.750 175.111 175.800 0.101 0.000 1.104 220 F CA -0.322 57.666 58.000 -0.020 0.000 0.913 220 F CB 1.756 40.670 39.000 -0.142 0.000 1.170 220 F HN 0.345 nan 8.300 nan 0.000 0.450 221 T N 4.381 118.579 114.554 -0.595 0.000 2.841 221 T HA 0.828 5.178 4.350 -0.000 0.000 0.285 221 T C -0.197 173.865 174.700 -1.064 0.000 0.991 221 T CA -0.341 61.425 62.100 -0.556 0.000 0.966 221 T CB 1.306 70.090 68.868 -0.141 0.000 0.962 221 T HN 1.129 nan 8.240 nan 0.000 0.438 222 G N 1.685 109.998 108.800 -0.812 0.000 2.399 222 G HA2 0.468 4.427 3.960 -0.000 0.000 0.256 222 G HA3 0.468 4.427 3.960 -0.000 0.000 0.256 222 G C -0.646 174.230 174.900 -0.040 0.000 1.236 222 G CA -0.262 44.534 45.100 -0.506 0.000 0.914 222 G HN 0.966 nan 8.290 nan 0.000 0.482 223 S N -0.436 115.337 115.700 0.120 0.000 2.603 223 S HA 0.480 4.950 4.470 -0.000 0.000 0.268 223 S C 1.866 176.580 174.600 0.190 0.000 1.317 223 S CA 0.928 59.175 58.200 0.078 0.000 1.012 223 S CB 1.501 64.717 63.200 0.026 0.000 0.926 223 S HN 2.056 nan 8.310 nan 0.000 0.539 224 S N 1.502 117.292 115.700 0.150 0.000 2.382 224 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 224 S C 1.910 176.548 174.600 0.063 0.000 1.027 224 S CA 0.979 59.269 58.200 0.149 0.000 0.991 224 S CB -0.731 62.627 63.200 0.263 0.000 0.823 224 S HN 0.822 nan 8.310 nan 0.000 0.469 225 R N 0.969 121.506 120.500 0.062 0.000 2.080 225 R HA -0.110 4.230 4.340 -0.000 0.000 0.236 225 R C 2.222 178.510 176.300 -0.021 0.000 1.137 225 R CA 2.150 58.263 56.100 0.020 0.000 0.943 225 R CB -0.970 29.347 30.300 0.028 0.000 0.846 225 R HN 0.533 nan 8.270 nan 0.000 0.431 226 T N -0.637 113.914 114.554 -0.005 0.000 2.812 226 T HA -0.034 4.316 4.350 -0.000 0.000 0.264 226 T C 1.710 176.191 174.700 -0.365 0.000 1.042 226 T CA 1.192 63.236 62.100 -0.094 0.000 1.140 226 T CB -0.478 68.427 68.868 0.062 0.000 0.870 226 T HN 0.578 nan 8.240 nan 0.000 0.445 227 G N 1.937 110.485 108.800 -0.419 0.000 2.450 227 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 227 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 227 G C 1.661 176.368 174.900 -0.321 0.000 1.130 227 G CA 0.694 45.405 45.100 -0.649 0.000 0.760 227 G HN 0.376 nan 8.290 nan 0.000 0.557 228 N N -0.029 118.572 118.700 -0.166 0.000 2.270 228 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 228 N C 1.998 177.470 175.510 -0.063 0.000 1.016 228 N CA 0.388 53.384 53.050 -0.090 0.000 0.870 228 N CB -0.355 38.092 38.487 -0.066 0.000 0.979 228 N HN 0.236 nan 8.380 nan 0.000 0.431 229 L N 1.127 122.287 121.223 -0.105 0.000 1.989 229 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 229 L C 2.001 178.817 176.870 -0.090 0.000 1.071 229 L CA 1.377 56.165 54.840 -0.086 0.000 0.749 229 L CB -0.677 41.322 42.059 -0.100 0.000 0.890 229 L HN 0.134 nan 8.230 nan 0.000 0.431 230 L N -1.541 119.561 121.223 -0.201 0.000 2.046 230 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 230 L C 2.679 179.502 176.870 -0.078 0.000 1.077 230 L CA 1.564 56.282 54.840 -0.202 0.000 0.747 230 L CB -0.907 40.842 42.059 -0.517 0.000 0.896 230 L HN 0.472 nan 8.230 nan 0.000 0.432 231 H N -0.795 118.160 119.070 -0.192 0.000 2.353 231 H HA -0.186 4.370 4.556 -0.000 0.000 0.300 231 H C 2.494 177.817 175.328 -0.007 0.000 1.090 231 H CA 1.865 57.847 56.048 -0.111 0.000 1.327 231 H CB 0.304 29.994 29.762 -0.120 0.000 1.383 231 H HN 0.233 nan 8.280 nan 0.000 0.508 232 S N -0.019 115.724 115.700 0.070 0.000 2.370 232 S HA -0.205 4.264 4.470 -0.000 0.000 0.226 232 S C 2.181 176.783 174.600 0.003 0.000 1.033 232 S CA 1.733 59.952 58.200 0.031 0.000 1.011 232 S CB -0.245 62.968 63.200 0.021 0.000 0.852 232 S HN 0.589 nan 8.310 nan 0.000 0.457 233 Q N -1.224 118.598 119.800 0.038 0.000 2.170 233 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 233 Q C 0.959 176.942 176.000 -0.030 0.000 0.976 233 Q CA 1.375 57.188 55.803 0.017 0.000 0.858 233 Q CB -0.112 28.665 28.738 0.066 0.000 0.907 233 Q HN 0.626 nan 8.270 nan 0.000 0.433 234 F N -0.163 119.677 119.950 -0.183 0.000 2.765 234 F HA 0.268 4.794 4.527 -0.001 0.000 0.302 234 F C 1.127 176.802 175.800 -0.209 0.000 1.111 234 F CA 0.152 58.036 58.000 -0.193 0.000 1.359 234 F CB 0.024 38.892 39.000 -0.221 0.000 1.097 234 F HN -0.035 nan 8.300 nan 0.000 0.577 235 G N -0.359 108.399 108.800 -0.070 0.000 2.340 235 G HA2 0.366 4.325 3.960 -0.000 0.000 0.245 235 G HA3 0.366 4.325 3.960 -0.000 0.000 0.245 235 G C 1.124 175.980 174.900 -0.072 0.000 1.294 235 G CA 0.292 45.337 45.100 -0.091 0.000 0.896 235 G HN 0.625 nan 8.290 nan 0.000 0.522 236 G N 1.366 110.130 108.800 -0.060 0.000 2.176 236 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.253 236 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.253 236 G C 0.507 175.369 174.900 -0.063 0.000 0.979 236 G CA 0.494 45.560 45.100 -0.056 0.000 0.641 236 G HN 0.829 nan 8.290 nan 0.000 0.530 237 Q N 0.150 119.912 119.800 -0.063 0.000 2.628 237 Q HA 0.234 4.574 4.340 -0.000 0.000 0.397 237 Q C -1.663 174.333 176.000 -0.007 0.000 0.916 237 Q CA -1.413 54.353 55.803 -0.062 0.000 1.071 237 Q CB 1.676 30.329 28.738 -0.141 0.000 1.367 237 Q HN 0.358 nan 8.270 nan 0.000 0.404 238 P HA -0.246 nan 4.420 nan 0.000 0.225 238 P C 1.146 178.447 177.300 0.001 0.000 1.148 238 P CA 1.170 64.270 63.100 0.001 0.000 0.779 238 P CB 0.303 31.999 31.700 -0.006 0.000 0.780 239 Q N 0.470 120.264 119.800 -0.011 0.000 2.291 239 Q HA -0.068 4.272 4.340 -0.000 0.000 0.205 239 Q C 0.431 176.424 176.000 -0.012 0.000 0.970 239 Q CA 1.116 56.907 55.803 -0.020 0.000 0.876 239 Q CB -0.527 28.193 28.738 -0.031 0.000 0.935 239 Q HN 0.273 nan 8.270 nan 0.000 0.455 240 K N 1.278 121.698 120.400 0.033 0.000 2.240 240 K HA 0.403 4.722 4.320 -0.000 0.000 0.271 240 K C -0.591 176.032 176.600 0.038 0.000 1.018 240 K CA -0.590 55.740 56.287 0.071 0.000 0.874 240 K CB 1.760 34.405 32.500 0.242 0.000 1.098 240 K HN 0.121 nan 8.250 nan 0.000 0.458 241 I N 5.201 125.728 120.570 -0.072 0.000 2.416 241 I HA 0.116 4.286 4.170 -0.000 0.000 0.288 241 I C -0.809 175.263 176.117 -0.076 0.000 1.051 241 I CA -0.435 60.819 61.300 -0.077 0.000 1.375 241 I CB 0.369 38.270 38.000 -0.164 0.000 1.407 241 I HN 0.412 nan 8.210 nan 0.000 0.516 242 L N 8.033 129.191 121.223 -0.108 0.000 2.334 242 L HA 0.777 5.117 4.340 -0.000 0.000 0.276 242 L C -0.293 176.515 176.870 -0.103 0.000 1.014 242 L CA -0.814 53.910 54.840 -0.192 0.000 0.815 242 L CB 1.563 43.407 42.059 -0.358 0.000 1.268 242 L HN 0.638 nan 8.230 nan 0.000 0.428 243 A N 4.463 127.211 122.820 -0.121 0.000 2.335 243 A HA 0.785 5.105 4.320 -0.000 0.000 0.304 243 A C -0.916 176.593 177.584 -0.126 0.000 1.118 243 A CA -0.387 51.475 52.037 -0.292 0.000 0.757 243 A CB 1.006 19.406 19.000 -1.000 0.000 1.188 243 A HN 0.678 nan 8.150 nan 0.000 0.460 244 L N 3.240 124.446 121.223 -0.028 0.000 2.343 244 L HA 0.515 4.855 4.340 -0.000 0.000 0.278 244 L C -0.377 176.580 176.870 0.145 0.000 0.996 244 L CA -0.585 54.327 54.840 0.120 0.000 0.831 244 L CB 1.640 43.725 42.059 0.043 0.000 1.232 244 L HN 0.697 nan 8.230 nan 0.000 0.413 248 G N -1.252 107.353 108.800 -0.325 0.000 2.663 248 G HA2 0.498 4.458 3.960 -0.000 0.000 0.299 248 G HA3 0.498 4.458 3.960 -0.000 0.000 0.299 248 G C -1.771 172.790 174.900 -0.564 0.000 1.372 248 G CA -0.304 44.525 45.100 -0.453 0.000 0.781 248 G HN 0.947 nan 8.290 nan 0.000 0.491 249 N N 0.767 119.293 118.700 -0.291 0.000 2.790 249 N HA 0.180 4.919 4.740 -0.000 0.000 0.256 249 N C -0.974 174.544 175.510 0.013 0.000 1.409 249 N CA -0.568 52.417 53.050 -0.109 0.000 0.799 249 N CB 0.124 38.628 38.487 0.028 0.000 1.170 249 N HN 0.378 nan 8.380 nan 0.000 0.507 250 N N 2.348 121.056 118.700 0.014 0.000 2.458 250 N HA 0.346 5.085 4.740 -0.000 0.000 0.270 250 N C -2.605 172.945 175.510 0.068 0.000 1.102 250 N CA -0.873 52.206 53.050 0.048 0.000 0.967 250 N CB 1.453 39.968 38.487 0.047 0.000 1.078 250 N HN 0.394 nan 8.380 nan 0.000 0.471 251 P HA 0.285 nan 4.420 nan 0.000 0.296 251 P C -0.894 176.488 177.300 0.136 0.000 1.301 251 P CA -0.721 62.444 63.100 0.109 0.000 0.862 251 P CB 1.515 33.285 31.700 0.116 0.000 1.046 252 L N 4.375 125.664 121.223 0.111 0.000 2.343 252 L HA 0.390 4.729 4.340 -0.000 0.000 0.278 252 L C -1.069 175.863 176.870 0.103 0.000 0.996 252 L CA -0.740 54.162 54.840 0.103 0.000 0.831 252 L CB 1.595 43.693 42.059 0.064 0.000 1.232 252 L HN 0.044 nan 8.230 nan 0.000 0.413 253 V N 5.880 125.836 119.914 0.071 0.000 2.439 253 V HA 0.489 4.609 4.120 -0.000 0.000 0.282 253 V C -0.282 175.891 176.094 0.131 0.000 1.039 253 V CA -0.552 61.800 62.300 0.086 0.000 0.913 253 V CB 1.645 33.450 31.823 -0.030 0.000 0.983 253 V HN 0.518 nan 8.190 nan 0.000 0.460 254 V N 5.249 125.313 119.914 0.249 0.000 2.349 254 V HA 0.376 4.495 4.120 -0.000 0.000 0.284 254 V C 0.183 176.469 176.094 0.320 0.000 1.014 254 V CA -0.690 61.765 62.300 0.258 0.000 0.826 254 V CB 1.166 33.156 31.823 0.278 0.000 1.009 254 V HN 0.900 nan 8.190 nan 0.000 0.431 255 E N 2.384 122.709 120.200 0.210 0.000 2.342 255 E HA 0.262 4.611 4.350 -0.000 0.000 0.257 255 E C 0.004 176.445 176.600 -0.265 0.000 1.150 255 E CA -0.652 55.804 56.400 0.093 0.000 0.926 255 E CB 1.482 31.205 29.700 0.038 0.000 1.074 255 E HN 0.741 nan 8.360 nan 0.000 0.449 256 E N 1.383 121.206 120.200 -0.629 0.000 2.415 256 E HA 0.080 4.429 4.350 -0.000 0.000 0.260 256 E C -0.762 175.297 176.600 -0.901 0.000 1.016 256 E CA -0.335 55.101 56.400 -1.608 0.000 0.924 256 E CB 0.410 29.315 29.700 -1.326 0.000 0.961 256 E HN 0.285 nan 8.360 nan 0.000 0.459 257 V N 1.203 120.672 119.914 -0.741 0.000 3.001 257 V HA 0.660 4.780 4.120 -0.000 0.000 0.314 257 V C 0.836 176.885 176.094 -0.075 0.000 1.099 257 V CA -0.094 62.069 62.300 -0.229 0.000 0.989 257 V CB 1.342 33.137 31.823 -0.047 0.000 1.040 257 V HN 0.729 nan 8.190 nan 0.000 0.434 258 A N 0.555 123.351 122.820 -0.040 0.000 1.930 258 A HA -0.032 4.287 4.320 -0.000 0.000 0.217 258 A C 1.216 178.844 177.584 0.074 0.000 1.175 258 A CA 1.746 53.792 52.037 0.015 0.000 0.627 258 A CB -0.470 18.522 19.000 -0.013 0.000 0.815 258 A HN 0.967 nan 8.150 nan 0.000 0.443 259 D N 0.199 120.637 120.400 0.064 0.000 2.524 259 D HA 0.257 4.896 4.640 -0.000 0.000 0.222 259 D C 0.925 177.296 176.300 0.118 0.000 1.142 259 D CA -0.362 53.676 54.000 0.063 0.000 0.973 259 D CB 0.586 41.394 40.800 0.013 0.000 1.025 259 D HN 0.141 nan 8.370 nan 0.000 0.519 260 L N 3.391 124.710 121.223 0.160 0.000 2.046 260 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 260 L C 1.322 178.239 176.870 0.078 0.000 1.077 260 L CA 1.858 56.798 54.840 0.167 0.000 0.747 260 L CB -0.142 41.984 42.059 0.110 0.000 0.896 260 L HN 0.151 nan 8.230 nan 0.000 0.432 261 D N 0.158 120.585 120.400 0.045 0.000 2.104 261 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 261 D C 2.220 178.550 176.300 0.050 0.000 0.994 261 D CA 1.671 55.687 54.000 0.026 0.000 0.830 261 D CB -0.318 40.480 40.800 -0.003 0.000 0.959 261 D HN 0.525 nan 8.370 nan 0.000 0.452 262 A N 0.789 123.633 122.820 0.040 0.000 1.972 262 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 262 A C 2.275 179.919 177.584 0.099 0.000 1.169 262 A CA 2.046 54.113 52.037 0.051 0.000 0.635 262 A CB -0.606 18.396 19.000 0.003 0.000 0.810 262 A HN 0.234 nan 8.150 nan 0.000 0.446 263 A N -0.490 122.388 122.820 0.098 0.000 1.873 263 A HA 0.004 4.323 4.320 -0.000 0.000 0.215 263 A C 2.217 179.856 177.584 0.091 0.000 1.186 263 A CA 1.734 53.838 52.037 0.111 0.000 0.616 263 A CB -0.981 18.130 19.000 0.185 0.000 0.823 263 A HN 0.374 nan 8.150 nan 0.000 0.442 264 V N -1.355 118.605 119.914 0.076 0.000 2.332 264 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 264 V C 2.365 178.494 176.094 0.059 0.000 1.055 264 V CA 2.233 64.561 62.300 0.047 0.000 1.038 264 V CB -1.011 30.827 31.823 0.026 0.000 0.651 264 V HN 0.707 nan 8.190 nan 0.000 0.450 265 Y N 1.465 121.748 120.300 -0.028 0.000 2.145 265 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 265 Y C 2.677 178.562 175.900 -0.024 0.000 1.145 265 Y CA 2.310 60.384 58.100 -0.043 0.000 1.148 265 Y CB -0.575 37.856 38.460 -0.048 0.000 0.981 265 Y HN 0.245 nan 8.280 nan 0.000 0.507 266 T N 1.004 115.615 114.554 0.096 0.000 2.788 266 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 266 T C 1.975 176.643 174.700 -0.054 0.000 1.044 266 T CA 1.876 63.988 62.100 0.021 0.000 1.139 266 T CB -0.401 68.503 68.868 0.061 0.000 0.867 266 T HN 0.343 nan 8.240 nan 0.000 0.454 267 I N 0.459 121.002 120.570 -0.045 0.000 2.202 267 I HA -0.109 4.060 4.170 -0.000 0.000 0.242 267 I C 2.243 178.255 176.117 -0.174 0.000 1.091 267 I CA 1.217 62.467 61.300 -0.084 0.000 1.368 267 I CB -0.368 37.601 38.000 -0.051 0.000 1.058 267 I HN 0.196 nan 8.210 nan 0.000 0.410 268 I N 0.351 120.827 120.570 -0.157 0.000 2.163 268 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 268 I C 2.644 178.707 176.117 -0.089 0.000 1.085 268 I CA 1.298 62.523 61.300 -0.126 0.000 1.347 268 I CB -0.427 37.495 38.000 -0.130 0.000 1.044 268 I HN 0.328 nan 8.210 nan 0.000 0.408 269 Q N 0.130 119.818 119.800 -0.187 0.000 2.170 269 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 269 Q C 2.424 178.435 176.000 0.019 0.000 0.976 269 Q CA 1.574 57.359 55.803 -0.029 0.000 0.858 269 Q CB -0.422 28.240 28.738 -0.128 0.000 0.907 269 Q HN 0.460 nan 8.270 nan 0.000 0.433 270 S N 0.584 116.251 115.700 -0.054 0.000 2.387 270 S HA 0.006 4.475 4.470 -0.000 0.000 0.226 270 S C 1.885 176.424 174.600 -0.102 0.000 1.026 270 S CA 0.942 59.115 58.200 -0.045 0.000 0.972 270 S CB 0.046 63.218 63.200 -0.047 0.000 0.814 270 S HN 0.496 nan 8.310 nan 0.000 0.477 271 A N -0.075 122.586 122.820 -0.265 0.000 1.956 271 A HA 0.357 4.677 4.320 -0.000 0.000 0.212 271 A C 1.235 178.624 177.584 -0.325 0.000 1.188 271 A CA 0.563 52.311 52.037 -0.481 0.000 0.675 271 A CB -0.137 18.229 19.000 -1.056 0.000 0.845 271 A HN 0.463 nan 8.150 nan 0.000 0.455 272 F N -0.967 119.051 119.950 0.113 0.000 2.728 272 F HA 0.427 4.954 4.527 -0.000 0.000 0.314 272 F C 0.628 176.507 175.800 0.132 0.000 1.094 272 F CA -1.637 56.458 58.000 0.158 0.000 1.217 272 F CB -0.131 39.027 39.000 0.264 0.000 1.056 272 F HN 0.047 nan 8.300 nan 0.000 0.577 273 I N 0.592 121.322 120.570 0.267 0.000 2.872 273 I HA -0.078 4.092 4.170 -0.000 0.000 0.291 273 I C 0.875 176.912 176.117 -0.133 0.000 1.216 273 I CA 0.698 61.985 61.300 -0.023 0.000 1.424 273 I CB 0.453 38.519 38.000 0.109 0.000 1.351 273 I HN 0.260 nan 8.210 nan 0.000 0.592 274 S N 4.584 120.111 115.700 -0.289 0.000 3.521 274 S HA -0.262 4.207 4.470 -0.000 0.000 0.328 274 S C 0.650 175.134 174.600 -0.194 0.000 1.165 274 S CA 0.823 58.855 58.200 -0.280 0.000 0.941 274 S CB -1.814 61.205 63.200 -0.302 0.000 0.951 274 S HN 1.837 nan 8.310 nan 0.000 0.539 275 A N -1.297 121.442 122.820 -0.136 0.000 2.783 275 A HA 0.139 4.459 4.320 -0.000 0.000 0.292 275 A C 2.097 179.669 177.584 -0.019 0.000 1.495 275 A CA 1.544 53.558 52.037 -0.038 0.000 0.787 275 A CB -2.168 16.799 19.000 -0.055 0.000 1.017 275 A HN 2.587 nan 8.150 nan 0.000 0.516 276 G N -2.244 106.548 108.800 -0.013 0.000 2.153 276 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.252 276 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.252 276 G C 0.338 175.014 174.900 -0.373 0.000 0.994 276 G CA 1.000 46.054 45.100 -0.076 0.000 0.698 276 G HN 1.261 nan 8.290 nan 0.000 0.521 277 Q N -0.612 118.918 119.800 -0.450 0.000 2.222 277 Q HA 0.186 4.526 4.340 -0.000 0.000 0.206 277 Q C 1.224 176.830 176.000 -0.657 0.000 0.877 277 Q CA -0.180 55.073 55.803 -0.916 0.000 0.958 277 Q CB 0.462 28.988 28.738 -0.353 0.000 1.075 277 Q HN 0.556 nan 8.270 nan 0.000 0.483 278 R N 0.155 120.468 120.500 -0.312 0.000 2.459 278 R HA 0.114 4.454 4.340 -0.000 0.000 0.281 278 R C 1.320 177.705 176.300 0.141 0.000 1.050 278 R CA -0.183 55.943 56.100 0.044 0.000 1.055 278 R CB 0.732 31.127 30.300 0.160 0.000 1.045 278 R HN 0.313 nan 8.270 nan 0.000 0.495 279 C N -1.094 118.418 119.300 0.353 0.000 2.432 279 C HA -0.050 4.409 4.460 -0.000 0.000 0.282 279 C C 2.097 177.233 174.990 0.244 0.000 1.388 279 C CA 0.565 59.798 59.018 0.359 0.000 1.777 279 C CB -1.302 26.640 27.740 0.337 0.000 1.882 279 C HN 0.883 nan 8.230 nan 0.000 0.520 280 T N -2.275 112.433 114.554 0.257 0.000 3.148 280 T HA 0.145 4.495 4.350 -0.000 0.000 0.253 280 T C 0.595 175.359 174.700 0.107 0.000 1.134 280 T CA -0.027 62.185 62.100 0.186 0.000 1.051 280 T CB -1.206 67.802 68.868 0.235 0.000 0.959 280 T HN 0.631 nan 8.240 nan 0.000 0.525 281 C N 2.861 122.202 119.300 0.068 0.000 2.634 281 C HA 0.580 5.040 4.460 -0.000 0.000 0.417 281 C C 1.479 176.473 174.990 0.006 0.000 1.334 281 C CA -1.059 57.965 59.018 0.011 0.000 1.829 281 C CB -0.919 26.793 27.740 -0.047 0.000 2.665 281 C HN 0.748 nan 8.230 nan 0.000 0.614 282 A N 4.407 127.215 122.820 -0.020 0.000 2.492 282 A HA 0.221 4.541 4.320 -0.000 0.000 0.254 282 A C 1.328 178.903 177.584 -0.015 0.000 1.091 282 A CA 0.155 52.184 52.037 -0.013 0.000 0.768 282 A CB 0.267 19.241 19.000 -0.043 0.000 1.028 282 A HN 0.936 nan 8.150 nan 0.000 0.498 283 R N 1.536 122.052 120.500 0.026 0.000 2.206 283 R HA 0.110 4.450 4.340 -0.000 0.000 0.198 283 R C 0.029 176.378 176.300 0.082 0.000 0.986 283 R CA 0.710 56.847 56.100 0.062 0.000 1.029 283 R CB 0.204 30.541 30.300 0.062 0.000 0.966 283 R HN 0.754 nan 8.270 nan 0.000 0.487 284 R N 0.655 121.197 120.500 0.070 0.000 2.532 284 R HA 0.361 4.701 4.340 -0.000 0.000 0.297 284 R C -1.379 174.967 176.300 0.077 0.000 0.984 284 R CA -0.806 55.346 56.100 0.085 0.000 0.884 284 R CB 2.117 32.473 30.300 0.094 0.000 1.182 284 R HN -0.145 nan 8.270 nan 0.000 0.442 285 L N 4.328 125.600 121.223 0.081 0.000 2.287 285 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 285 L C -1.304 175.649 176.870 0.137 0.000 1.022 285 L CA -0.353 54.541 54.840 0.090 0.000 0.814 285 L CB 1.235 43.331 42.059 0.062 0.000 1.217 285 L HN 0.547 nan 8.230 nan 0.000 0.420 286 L N 6.059 127.391 121.223 0.181 0.000 2.265 286 L HA 0.589 4.929 4.340 -0.000 0.000 0.289 286 L C -0.867 176.255 176.870 0.420 0.000 1.033 286 L CA -0.470 54.543 54.840 0.289 0.000 0.814 286 L CB 1.556 43.745 42.059 0.217 0.000 1.203 286 L HN 0.342 nan 8.230 nan 0.000 0.423 287 V N 5.210 125.319 119.914 0.325 0.000 2.588 287 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 287 V C -2.146 173.792 176.094 -0.260 0.000 1.042 287 V CA -1.871 60.520 62.300 0.151 0.000 0.877 287 V CB 1.974 33.857 31.823 0.100 0.000 0.996 287 V HN 0.550 nan 8.190 nan 0.000 0.425 288 P HA 0.094 nan 4.420 nan 0.000 0.268 288 P C -0.434 176.681 177.300 -0.309 0.000 1.205 288 P CA -0.109 62.475 63.100 -0.860 0.000 0.771 288 P CB 0.561 32.033 31.700 -0.381 0.000 0.858 289 Q N 0.904 120.543 119.800 -0.267 0.000 2.414 289 Q HA 0.374 4.714 4.340 -0.000 0.000 0.288 289 Q C 0.956 176.939 176.000 -0.029 0.000 1.086 289 Q CA 1.283 57.033 55.803 -0.089 0.000 0.943 289 Q CB -0.084 28.625 28.738 -0.048 0.000 1.282 289 Q HN 0.856 nan 8.270 nan 0.000 0.438 290 G N -0.508 108.295 108.800 0.005 0.000 2.462 290 G HA2 0.029 3.989 3.960 -0.000 0.000 0.685 290 G HA3 0.029 3.989 3.960 -0.000 0.000 0.685 290 G C 0.161 175.095 174.900 0.056 0.000 1.295 290 G CA -0.313 44.808 45.100 0.036 0.000 0.941 290 G HN 0.654 nan 8.290 nan 0.000 0.554 291 A N -0.956 121.907 122.820 0.070 0.000 1.902 291 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 291 A C 2.108 179.737 177.584 0.075 0.000 1.181 291 A CA 2.517 54.590 52.037 0.059 0.000 0.623 291 A CB -0.758 18.279 19.000 0.062 0.000 0.818 291 A HN 1.601 nan 8.150 nan 0.000 0.443 292 W N 0.615 121.906 121.300 -0.016 0.000 2.358 292 W HA -0.054 4.606 4.660 -0.000 0.000 0.303 292 W C 2.252 178.762 176.519 -0.015 0.000 1.208 292 W CA 2.054 59.392 57.345 -0.012 0.000 1.274 292 W CB -0.445 29.010 29.460 -0.008 0.000 1.138 292 W HN 0.269 nan 8.180 nan 0.000 0.515 293 G N 0.015 108.948 108.800 0.222 0.000 2.418 293 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 293 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 293 G C 1.170 175.999 174.900 -0.118 0.000 1.158 293 G CA 1.353 46.488 45.100 0.057 0.000 0.771 293 G HN 0.209 nan 8.290 nan 0.000 0.545 294 D N 1.101 121.454 120.400 -0.079 0.000 2.149 294 D HA -0.062 4.577 4.640 -0.000 0.000 0.198 294 D C 2.784 178.988 176.300 -0.159 0.000 0.990 294 D CA 1.259 55.205 54.000 -0.090 0.000 0.839 294 D CB -0.407 40.362 40.800 -0.051 0.000 0.948 294 D HN 0.327 nan 8.370 nan 0.000 0.460 295 A N 0.780 123.454 122.820 -0.243 0.000 1.898 295 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 295 A C 2.190 179.540 177.584 -0.391 0.000 1.181 295 A CA 0.935 52.792 52.037 -0.300 0.000 0.620 295 A CB -0.743 18.050 19.000 -0.344 0.000 0.819 295 A HN 0.246 nan 8.150 nan 0.000 0.442 296 L N -0.250 120.593 121.223 -0.634 0.000 2.013 296 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 296 L C 2.246 178.955 176.870 -0.269 0.000 1.073 296 L CA 1.895 56.386 54.840 -0.581 0.000 0.753 296 L CB -0.384 41.198 42.059 -0.794 0.000 0.890 296 L HN 0.394 nan 8.230 nan 0.000 0.432 297 L N -0.892 120.212 121.223 -0.199 0.000 2.109 297 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 297 L C 2.673 179.497 176.870 -0.077 0.000 1.086 297 L CA 0.961 55.745 54.840 -0.094 0.000 0.760 297 L CB -0.792 41.232 42.059 -0.059 0.000 0.910 297 L HN 0.392 nan 8.230 nan 0.000 0.437 298 A N 0.071 122.831 122.820 -0.101 0.000 1.902 298 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 298 A C 2.347 179.888 177.584 -0.071 0.000 1.181 298 A CA 1.835 53.826 52.037 -0.076 0.000 0.623 298 A CB -0.433 18.518 19.000 -0.082 0.000 0.818 298 A HN 0.254 nan 8.150 nan 0.000 0.443 299 R N -0.571 119.870 120.500 -0.098 0.000 2.090 299 R HA -0.014 4.326 4.340 -0.000 0.000 0.228 299 R C 1.882 178.154 176.300 -0.046 0.000 1.110 299 R CA 1.351 57.405 56.100 -0.075 0.000 0.973 299 R CB -0.954 29.289 30.300 -0.096 0.000 0.869 299 R HN 0.436 nan 8.270 nan 0.000 0.440 300 L N -0.162 121.035 121.223 -0.044 0.000 2.042 300 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 300 L C 1.931 178.818 176.870 0.029 0.000 1.076 300 L CA 1.647 56.489 54.840 0.003 0.000 0.749 300 L CB -0.558 41.507 42.059 0.011 0.000 0.893 300 L HN 0.051 nan 8.230 nan 0.000 0.432 301 V N -0.117 119.803 119.914 0.010 0.000 2.307 301 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 301 V C 2.777 178.868 176.094 -0.006 0.000 1.045 301 V CA 1.611 63.918 62.300 0.012 0.000 1.024 301 V CB -1.211 30.611 31.823 -0.001 0.000 0.651 301 V HN 0.618 nan 8.190 nan 0.000 0.449 302 A N -0.295 122.515 122.820 -0.017 0.000 1.902 302 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 302 A C 2.367 179.939 177.584 -0.021 0.000 1.181 302 A CA 2.162 54.186 52.037 -0.022 0.000 0.623 302 A CB -0.671 18.313 19.000 -0.027 0.000 0.818 302 A HN 0.343 nan 8.150 nan 0.000 0.443 303 V N -0.292 119.612 119.914 -0.016 0.000 2.358 303 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 303 V C 2.732 178.812 176.094 -0.023 0.000 1.047 303 V CA 2.194 64.484 62.300 -0.018 0.000 1.035 303 V CB -0.710 31.107 31.823 -0.010 0.000 0.658 303 V HN 0.542 nan 8.190 nan 0.000 0.452 304 S N 0.439 116.137 115.700 -0.003 0.000 2.399 304 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 304 S C 2.163 176.717 174.600 -0.078 0.000 1.022 304 S CA 1.275 59.459 58.200 -0.026 0.000 0.983 304 S CB -0.419 62.799 63.200 0.029 0.000 0.803 304 S HN 0.643 nan 8.310 nan 0.000 0.480 305 A N 1.281 124.069 122.820 -0.054 0.000 2.070 305 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 305 A C 2.226 179.785 177.584 -0.042 0.000 1.159 305 A CA 1.790 53.796 52.037 -0.053 0.000 0.656 305 A CB -0.808 18.170 19.000 -0.037 0.000 0.800 305 A HN 0.611 nan 8.150 nan 0.000 0.453 306 T N -2.624 111.908 114.554 -0.037 0.000 3.060 306 T HA 0.387 4.737 4.350 -0.000 0.000 0.249 306 T C 0.480 175.168 174.700 -0.020 0.000 1.079 306 T CA -0.350 61.734 62.100 -0.026 0.000 1.013 306 T CB -0.531 68.323 68.868 -0.025 0.000 0.975 306 T HN 0.210 nan 8.240 nan 0.000 0.518 307 L N 2.388 123.593 121.223 -0.030 0.000 2.540 307 L HA 0.241 4.581 4.340 -0.000 0.000 0.276 307 L C 0.951 177.860 176.870 0.064 0.000 1.212 307 L CA -0.416 54.425 54.840 0.003 0.000 0.893 307 L CB 0.284 42.349 42.059 0.010 0.000 1.138 307 L HN 0.225 nan 8.230 nan 0.000 0.491 308 R N 2.799 123.367 120.500 0.113 0.000 2.347 308 R HA 0.383 4.723 4.340 -0.000 0.000 0.304 308 R C -1.221 175.166 176.300 0.145 0.000 1.072 308 R CA -0.352 55.815 56.100 0.112 0.000 0.980 308 R CB 0.637 31.004 30.300 0.112 0.000 0.986 308 R HN 0.439 nan 8.270 nan 0.000 0.448 309 V N 4.209 124.174 119.914 0.084 0.000 2.540 309 V HA 0.802 4.922 4.120 -0.000 0.000 0.302 309 V C 0.504 176.626 176.094 0.046 0.000 1.035 309 V CA -0.247 62.092 62.300 0.065 0.000 0.873 309 V CB 1.565 33.405 31.823 0.029 0.000 0.992 309 V HN 1.054 nan 8.190 nan 0.000 0.428 310 G N 3.864 112.690 108.800 0.043 0.000 2.428 310 G HA2 0.467 4.427 3.960 -0.000 0.000 0.304 310 G HA3 0.467 4.427 3.960 -0.000 0.000 0.304 310 G C -1.352 173.569 174.900 0.034 0.000 1.303 310 G CA -1.138 43.981 45.100 0.033 0.000 0.825 310 G HN 0.543 nan 8.290 nan 0.000 0.484 311 R N -0.504 120.007 120.500 0.018 0.000 2.641 311 R HA 0.340 4.679 4.340 -0.000 0.000 0.269 311 R C 1.607 177.909 176.300 0.003 0.000 1.074 311 R CA 0.162 56.277 56.100 0.026 0.000 1.133 311 R CB 0.338 30.622 30.300 -0.028 0.000 1.029 311 R HN 0.582 nan 8.270 nan 0.000 0.488 312 F N 0.807 120.743 119.950 -0.023 0.000 2.202 312 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 312 F C 1.070 176.863 175.800 -0.012 0.000 1.082 312 F CA 1.255 59.231 58.000 -0.040 0.000 1.313 312 F CB -0.102 38.864 39.000 -0.058 0.000 1.024 312 F HN 0.487 nan 8.300 nan 0.000 0.495 313 D N -0.339 119.476 120.400 -0.974 0.000 2.462 313 D HA 0.073 4.713 4.640 -0.000 0.000 0.221 313 D C 0.062 176.165 176.300 -0.329 0.000 1.173 313 D CA -0.398 53.174 54.000 -0.713 0.000 0.831 313 D CB -0.855 39.312 40.800 -1.055 0.000 1.001 313 D HN 0.540 nan 8.370 nan 0.000 0.499 314 E N 0.483 120.555 120.200 -0.214 0.000 2.415 314 E HA 0.106 4.456 4.350 -0.000 0.000 0.262 314 E C -0.610 175.964 176.600 -0.044 0.000 1.038 314 E CA 0.266 56.605 56.400 -0.100 0.000 0.921 314 E CB 0.618 30.289 29.700 -0.048 0.000 0.950 314 E HN 0.126 nan 8.360 nan 0.000 0.438 315 Q N 2.898 122.680 119.800 -0.030 0.000 2.323 315 Q HA 0.357 4.696 4.340 -0.000 0.000 0.271 315 Q C -2.364 173.634 176.000 -0.002 0.000 1.048 315 Q CA -1.927 53.873 55.803 -0.006 0.000 0.792 315 Q CB 1.934 30.665 28.738 -0.012 0.000 1.280 315 Q HN 0.430 nan 8.270 nan 0.000 0.441 316 P HA 0.085 nan 4.420 nan 0.000 0.268 316 P C -1.184 176.143 177.300 0.045 0.000 1.208 316 P CA -0.227 62.886 63.100 0.020 0.000 0.777 316 P CB 0.485 32.196 31.700 0.017 0.000 0.875 317 A N 4.115 126.977 122.820 0.070 0.000 2.488 317 A HA 0.379 4.699 4.320 -0.000 0.000 0.249 317 A C -2.028 175.665 177.584 0.181 0.000 1.083 317 A CA -0.880 51.244 52.037 0.146 0.000 0.768 317 A CB -1.007 18.122 19.000 0.215 0.000 1.017 317 A HN 0.395 nan 8.150 nan 0.000 0.496 318 P HA 0.267 nan 4.420 nan 0.000 0.274 318 P C -0.070 177.487 177.300 0.428 0.000 1.231 318 P CA -0.368 62.875 63.100 0.239 0.000 0.790 318 P CB 0.385 32.179 31.700 0.157 0.000 0.951 322 A N -0.790 122.022 122.820 -0.014 0.000 2.386 322 A HA 0.644 4.963 4.320 -0.000 0.000 0.246 322 A C 1.154 178.728 177.584 -0.017 0.000 1.089 322 A CA 0.467 52.498 52.037 -0.010 0.000 0.790 322 A CB 0.108 19.108 19.000 -0.000 0.000 1.042 322 A HN 2.148 nan 8.150 nan 0.000 0.497 323 V N -0.009 119.902 119.914 -0.004 0.000 3.489 323 V HA 0.271 4.391 4.120 -0.000 0.000 0.297 323 V C 1.365 177.447 176.094 -0.021 0.000 1.071 323 V CA 0.335 62.643 62.300 0.012 0.000 1.074 323 V CB 0.185 32.035 31.823 0.045 0.000 1.188 323 V HN 0.866 nan 8.190 nan 0.000 0.458 324 I N 1.085 121.619 120.570 -0.059 0.000 2.546 324 I HA 0.086 4.255 4.170 -0.000 0.000 0.255 324 I C 0.986 177.004 176.117 -0.164 0.000 1.163 324 I CA 1.575 62.767 61.300 -0.180 0.000 1.457 324 I CB -0.226 37.429 38.000 -0.575 0.000 1.092 324 I HN 1.104 nan 8.210 nan 0.000 0.434 325 S N -2.312 113.316 115.700 -0.119 0.000 2.588 325 S HA 0.344 4.814 4.470 -0.000 0.000 0.269 325 S C 0.464 175.043 174.600 -0.035 0.000 1.157 325 S CA -0.763 57.388 58.200 -0.081 0.000 0.824 325 S CB 0.423 63.560 63.200 -0.105 0.000 1.126 325 S HN 0.048 nan 8.310 nan 0.000 0.464 326 L N 1.328 122.540 121.223 -0.019 0.000 2.079 326 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 326 L C 2.961 179.837 176.870 0.011 0.000 1.081 326 L CA 1.789 56.629 54.840 -0.001 0.000 0.752 326 L CB -0.667 41.394 42.059 0.002 0.000 0.896 326 L HN 0.919 nan 8.230 nan 0.000 0.433 327 S N -0.198 115.505 115.700 0.005 0.000 2.368 327 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 327 S C 2.151 176.781 174.600 0.050 0.000 1.030 327 S CA 1.294 59.508 58.200 0.022 0.000 0.999 327 S CB -0.083 63.120 63.200 0.004 0.000 0.844 327 S HN 0.442 nan 8.310 nan 0.000 0.459 328 A N 1.434 124.270 122.820 0.027 0.000 1.902 328 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 328 A C 2.497 180.152 177.584 0.119 0.000 1.181 328 A CA 1.952 54.034 52.037 0.074 0.000 0.623 328 A CB -1.455 17.563 19.000 0.030 0.000 0.818 328 A HN 0.797 nan 8.150 nan 0.000 0.443 329 A N -0.382 122.477 122.820 0.064 0.000 1.877 329 A HA -0.210 4.109 4.320 -0.000 0.000 0.216 329 A C 2.025 179.637 177.584 0.046 0.000 1.186 329 A CA 1.907 53.973 52.037 0.049 0.000 0.620 329 A CB -0.623 18.390 19.000 0.021 0.000 0.822 329 A HN 0.681 nan 8.150 nan 0.000 0.443 330 E N -1.071 119.159 120.200 0.051 0.000 2.070 330 E HA -0.331 4.019 4.350 -0.000 0.000 0.197 330 E C 1.898 178.524 176.600 0.044 0.000 1.004 330 E CA 1.734 58.159 56.400 0.041 0.000 0.805 330 E CB -0.293 29.436 29.700 0.048 0.000 0.744 330 E HN 0.832 nan 8.360 nan 0.000 0.451 331 H N -0.076 118.997 119.070 0.005 0.000 2.353 331 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 331 H C 2.026 177.347 175.328 -0.011 0.000 1.090 331 H CA 1.882 57.937 56.048 0.012 0.000 1.327 331 H CB -0.105 29.695 29.762 0.063 0.000 1.383 331 H HN 0.155 nan 8.280 nan 0.000 0.508 332 L N -0.429 120.807 121.223 0.021 0.000 2.027 332 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 332 L C 2.501 179.260 176.870 -0.185 0.000 1.074 332 L CA 0.937 55.731 54.840 -0.076 0.000 0.745 332 L CB -0.351 41.732 42.059 0.040 0.000 0.898 332 L HN 0.294 nan 8.230 nan 0.000 0.433 333 L N -0.418 120.737 121.223 -0.113 0.000 2.042 333 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 333 L C 2.647 179.415 176.870 -0.170 0.000 1.076 333 L CA 1.421 56.193 54.840 -0.114 0.000 0.749 333 L CB -0.510 41.514 42.059 -0.058 0.000 0.893 333 L HN 0.191 nan 8.230 nan 0.000 0.432 334 K N -0.122 120.144 120.400 -0.224 0.000 2.097 334 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 334 K C 2.239 178.492 176.600 -0.578 0.000 1.049 334 K CA 1.349 57.412 56.287 -0.374 0.000 0.933 334 K CB -0.256 31.999 32.500 -0.408 0.000 0.717 334 K HN 0.314 nan 8.250 nan 0.000 0.442 335 A N 1.432 123.927 122.820 -0.542 0.000 1.902 335 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 335 A C 2.142 179.462 177.584 -0.439 0.000 1.181 335 A CA 1.670 53.355 52.037 -0.587 0.000 0.623 335 A CB -0.568 17.862 19.000 -0.951 0.000 0.818 335 A HN 0.410 nan 8.150 nan 0.000 0.443 336 Q N -0.320 119.270 119.800 -0.350 0.000 2.050 336 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 336 Q C 2.080 178.030 176.000 -0.084 0.000 0.980 336 Q CA 2.001 57.683 55.803 -0.202 0.000 0.840 336 Q CB -0.259 28.391 28.738 -0.146 0.000 0.898 336 Q HN 0.785 nan 8.270 nan 0.000 0.424 337 E N -0.903 119.272 120.200 -0.043 0.000 2.085 337 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 337 E C 1.774 178.485 176.600 0.186 0.000 0.994 337 E CA 1.530 57.979 56.400 0.081 0.000 0.801 337 E CB -0.033 29.750 29.700 0.138 0.000 0.743 337 E HN 0.549 nan 8.360 nan 0.000 0.453 338 H N 0.187 119.221 119.070 -0.060 0.000 2.389 338 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 338 H C 2.107 177.425 175.328 -0.016 0.000 1.081 338 H CA 1.015 57.045 56.048 -0.028 0.000 1.345 338 H CB -0.319 29.433 29.762 -0.016 0.000 1.393 338 H HN 0.188 nan 8.280 nan 0.000 0.520 339 L N -0.220 121.056 121.223 0.087 0.000 2.017 339 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 339 L C 2.179 179.074 176.870 0.041 0.000 1.073 339 L CA 1.143 56.014 54.840 0.053 0.000 0.745 339 L CB -0.362 41.699 42.059 0.004 0.000 0.894 339 L HN 0.217 nan 8.230 nan 0.000 0.432 340 I N -0.480 120.106 120.570 0.027 0.000 2.315 340 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 340 I C 2.621 178.750 176.117 0.020 0.000 1.117 340 I CA 1.250 62.562 61.300 0.020 0.000 1.404 340 I CB -0.881 37.126 38.000 0.012 0.000 1.071 340 I HN 0.275 nan 8.210 nan 0.000 0.419 341 G N 1.109 109.922 108.800 0.022 0.000 2.469 341 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 341 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 341 G C 1.639 176.543 174.900 0.007 0.000 1.136 341 G CA 0.708 45.809 45.100 0.002 0.000 0.759 341 G HN 0.359 nan 8.290 nan 0.000 0.562 342 K N -0.080 120.334 120.400 0.023 0.000 2.444 342 K HA 0.304 4.624 4.320 -0.000 0.000 0.193 342 K C 1.459 178.077 176.600 0.031 0.000 1.024 342 K CA 0.405 56.710 56.287 0.029 0.000 1.077 342 K CB 0.305 32.833 32.500 0.047 0.000 0.833 342 K HN 0.381 nan 8.250 nan 0.000 0.517 343 G N 0.379 109.195 108.800 0.027 0.000 2.205 343 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.180 343 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.180 343 G C 0.152 175.070 174.900 0.030 0.000 1.004 343 G CA -0.240 44.876 45.100 0.026 0.000 0.670 343 G HN 0.379 nan 8.290 nan 0.000 0.496 344 A N 0.381 123.221 122.820 0.033 0.000 2.445 344 A HA 0.614 4.934 4.320 -0.000 0.000 0.242 344 A C 0.368 177.967 177.584 0.025 0.000 1.075 344 A CA 0.426 52.483 52.037 0.034 0.000 0.777 344 A CB 0.354 19.376 19.000 0.036 0.000 1.013 344 A HN 0.279 nan 8.150 nan 0.000 0.493 345 Q N 1.977 121.793 119.800 0.025 0.000 2.307 345 Q HA 0.352 4.692 4.340 -0.000 0.000 0.262 345 Q C -2.574 173.437 176.000 0.017 0.000 0.961 345 Q CA -2.222 53.592 55.803 0.019 0.000 0.882 345 Q CB 1.747 30.495 28.738 0.018 0.000 1.264 345 Q HN 0.500 nan 8.270 nan 0.000 0.446 346 P HA 0.085 nan 4.420 nan 0.000 0.271 346 P C 0.512 177.818 177.300 0.009 0.000 1.380 346 P CA 0.086 63.191 63.100 0.009 0.000 0.992 346 P CB 0.282 31.982 31.700 0.001 0.000 1.230 347 L N 2.390 123.623 121.223 0.017 0.000 2.093 347 L HA -0.026 4.313 4.340 -0.000 0.000 0.208 347 L C 1.158 178.034 176.870 0.009 0.000 1.085 347 L CA 1.357 56.205 54.840 0.014 0.000 0.755 347 L CB -0.287 41.785 42.059 0.022 0.000 0.904 347 L HN 0.295 nan 8.230 nan 0.000 0.435 348 L N -0.141 121.090 121.223 0.012 0.000 2.491 348 L HA 0.617 4.957 4.340 -0.000 0.000 0.267 348 L C -0.037 176.827 176.870 -0.011 0.000 0.971 348 L CA -0.386 54.452 54.840 -0.003 0.000 0.857 348 L CB 1.121 43.177 42.059 -0.005 0.000 1.226 348 L HN -0.060 nan 8.230 nan 0.000 0.408 352 Q N 1.471 121.259 119.800 -0.020 0.000 2.607 352 Q HA 0.394 4.734 4.340 -0.000 0.000 0.247 352 Q C -1.768 174.226 176.000 -0.011 0.000 1.033 352 Q CA -2.366 53.428 55.803 -0.014 0.000 0.769 352 Q CB 1.294 30.027 28.738 -0.009 0.000 1.169 352 Q HN 0.539 nan 8.270 nan 0.000 0.508 353 P HA -0.037 nan 4.420 nan 0.000 0.221 353 P C -0.028 177.269 177.300 -0.005 0.000 1.150 353 P CA 0.811 63.905 63.100 -0.009 0.000 0.800 353 P CB 0.552 32.246 31.700 -0.010 0.000 0.787 354 I N 1.207 121.776 120.570 -0.003 0.000 2.382 354 I HA 0.206 4.376 4.170 -0.000 0.000 0.286 354 I C -0.109 176.009 176.117 0.001 0.000 1.002 354 I CA -0.954 60.346 61.300 -0.000 0.000 1.135 354 I CB 1.524 39.526 38.000 0.002 0.000 1.288 354 I HN -0.281 nan 8.210 nan 0.000 0.448 355 D N 5.407 125.808 120.400 0.001 0.000 2.455 355 D HA 0.146 4.786 4.640 -0.000 0.000 0.241 355 D C 1.185 177.488 176.300 0.004 0.000 1.138 355 D CA 0.959 54.960 54.000 0.003 0.000 0.877 355 D CB 1.305 42.107 40.800 0.003 0.000 1.187 355 D HN 0.945 nan 8.370 nan 0.000 0.451 356 G N 0.687 109.490 108.800 0.005 0.000 2.159 356 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.256 356 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.256 356 G C 0.223 175.127 174.900 0.007 0.000 0.977 356 G CA 0.345 45.448 45.100 0.006 0.000 0.652 356 G HN 0.865 nan 8.290 nan 0.000 0.531 357 A N -0.723 122.101 122.820 0.006 0.000 2.386 357 A HA 0.949 5.269 4.320 -0.000 0.000 0.311 357 A C 0.632 178.218 177.584 0.005 0.000 1.068 357 A CA 0.466 52.507 52.037 0.007 0.000 0.743 357 A CB 1.576 20.582 19.000 0.009 0.000 1.258 357 A HN 1.763 nan 8.150 nan 0.000 0.429 358 A N 2.095 124.917 122.820 0.003 0.000 2.359 358 A HA 0.461 4.780 4.320 -0.000 0.000 0.240 358 A C 0.286 177.870 177.584 0.001 0.000 1.306 358 A CA -0.037 52.000 52.037 0.001 0.000 0.898 358 A CB -0.869 18.128 19.000 -0.006 0.000 0.956 358 A HN 0.692 nan 8.150 nan 0.000 0.497 359 L N 0.580 121.804 121.223 0.002 0.000 2.410 359 L HA 0.321 4.660 4.340 -0.000 0.000 0.273 359 L C -0.400 176.465 176.870 -0.008 0.000 1.144 359 L CA 0.197 55.037 54.840 -0.001 0.000 0.863 359 L CB 0.777 42.837 42.059 0.002 0.000 1.140 359 L HN 0.284 nan 8.230 nan 0.000 0.463 360 L N 2.831 124.045 121.223 -0.015 0.000 2.386 360 L HA 0.493 4.833 4.340 -0.000 0.000 0.271 360 L C 0.308 177.149 176.870 -0.049 0.000 0.993 360 L CA -0.702 54.122 54.840 -0.027 0.000 0.819 360 L CB 2.299 44.346 42.059 -0.020 0.000 1.294 360 L HN 0.597 nan 8.230 nan 0.000 0.414 361 T N -0.435 114.081 114.554 -0.064 0.000 2.899 361 T HA 0.489 4.839 4.350 -0.000 0.000 0.284 361 T C -2.526 172.069 174.700 -0.175 0.000 1.004 361 T CA -1.791 60.247 62.100 -0.103 0.000 1.043 361 T CB 0.976 69.794 68.868 -0.083 0.000 1.013 361 T HN 0.200 nan 8.240 nan 0.000 0.518 362 P HA 0.359 nan 4.420 nan 0.000 0.268 362 P C 0.040 177.160 177.300 -0.300 0.000 1.205 362 P CA -0.075 62.674 63.100 -0.586 0.000 0.771 362 P CB 0.277 31.232 31.700 -1.241 0.000 0.858 363 G N 2.127 110.846 108.800 -0.135 0.000 2.415 363 G HA2 0.675 4.635 3.960 -0.000 0.000 0.327 363 G HA3 0.675 4.635 3.960 -0.000 0.000 0.327 363 G C -1.026 173.957 174.900 0.138 0.000 1.182 363 G CA -0.604 44.496 45.100 0.001 0.000 0.924 363 G HN 0.393 nan 8.290 nan 0.000 0.470 364 I N 2.429 123.063 120.570 0.107 0.000 2.468 364 I HA 0.288 4.458 4.170 -0.000 0.000 0.284 364 I C -0.989 175.173 176.117 0.075 0.000 1.038 364 I CA -0.769 60.614 61.300 0.139 0.000 1.083 364 I CB 1.819 39.908 38.000 0.147 0.000 1.223 364 I HN 0.366 nan 8.210 nan 0.000 0.443 365 L N 2.894 124.160 121.223 0.070 0.000 2.381 365 L HA 0.652 4.992 4.340 -0.000 0.000 0.274 365 L C -0.505 176.398 176.870 0.056 0.000 0.988 365 L CA -0.539 54.330 54.840 0.048 0.000 0.824 365 L CB 1.405 43.479 42.059 0.026 0.000 1.263 365 L HN 0.277 nan 8.230 nan 0.000 0.410 366 D N 2.580 123.009 120.400 0.047 0.000 2.346 366 D HA 0.164 4.804 4.640 -0.000 0.000 0.260 366 D C 0.848 177.180 176.300 0.054 0.000 1.252 366 D CA 0.017 54.047 54.000 0.051 0.000 0.895 366 D CB 1.667 42.491 40.800 0.039 0.000 1.097 366 D HN 0.594 nan 8.370 nan 0.000 0.489 367 V N 1.382 121.337 119.914 0.067 0.000 3.444 367 V HA 0.118 4.237 4.120 -0.000 0.000 0.308 367 V C 1.602 177.738 176.094 0.069 0.000 1.371 367 V CA -0.083 62.260 62.300 0.071 0.000 1.141 367 V CB -0.086 31.791 31.823 0.091 0.000 1.037 367 V HN 0.310 nan 8.190 nan 0.000 0.433 368 S N 2.016 117.755 115.700 0.064 0.000 2.383 368 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 368 S C 1.981 176.614 174.600 0.055 0.000 1.030 368 S CA 1.845 60.084 58.200 0.064 0.000 1.002 368 S CB -0.248 62.987 63.200 0.060 0.000 0.829 368 S HN 0.955 nan 8.310 nan 0.000 0.467 369 A N 0.749 123.598 122.820 0.048 0.000 2.275 369 A HA 0.362 4.682 4.320 -0.000 0.000 0.212 369 A C 0.630 178.240 177.584 0.043 0.000 1.201 369 A CA -0.134 51.928 52.037 0.041 0.000 0.843 369 A CB 0.014 19.034 19.000 0.034 0.000 0.873 369 A HN 0.242 nan 8.150 nan 0.000 0.492 370 V N 0.758 120.702 119.914 0.051 0.000 2.455 370 V HA 0.303 4.423 4.120 -0.000 0.000 0.273 370 V C 1.614 177.740 176.094 0.053 0.000 1.045 370 V CA 0.175 62.508 62.300 0.054 0.000 0.976 370 V CB 0.416 32.279 31.823 0.066 0.000 0.993 370 V HN 0.510 nan 8.190 nan 0.000 0.475 371 A N 5.022 127.870 122.820 0.046 0.000 1.829 371 A HA -0.061 4.258 4.320 -0.000 0.000 0.216 371 A C 1.049 178.661 177.584 0.047 0.000 1.207 371 A CA 1.119 53.182 52.037 0.042 0.000 0.622 371 A CB -0.149 18.872 19.000 0.036 0.000 0.846 371 A HN 0.737 nan 8.150 nan 0.000 0.447 372 E N 0.885 121.115 120.200 0.050 0.000 2.103 372 E HA 0.271 4.621 4.350 -0.000 0.000 0.254 372 E C -0.938 175.704 176.600 0.069 0.000 0.940 372 E CA -0.197 56.234 56.400 0.053 0.000 0.771 372 E CB 0.664 30.393 29.700 0.048 0.000 1.153 372 E HN 0.334 nan 8.360 nan 0.000 0.428 373 R N 2.828 123.373 120.500 0.074 0.000 2.267 373 R HA 0.206 4.546 4.340 -0.000 0.000 0.319 373 R C -2.152 174.206 176.300 0.097 0.000 1.067 373 R CA -1.673 54.485 56.100 0.096 0.000 0.936 373 R CB 0.154 30.513 30.300 0.098 0.000 1.006 373 R HN 0.124 nan 8.270 nan 0.000 0.452 374 P HA -0.149 nan 4.420 nan 0.000 0.263 374 P C -0.584 176.760 177.300 0.074 0.000 1.168 374 P CA 0.482 63.644 63.100 0.104 0.000 0.759 374 P CB 0.428 32.227 31.700 0.165 0.000 0.782 375 D N 2.431 122.865 120.400 0.056 0.000 2.540 375 D HA 0.144 4.783 4.640 -0.000 0.000 0.251 375 D C -0.560 175.800 176.300 0.101 0.000 1.159 375 D CA -0.227 53.820 54.000 0.079 0.000 0.974 375 D CB -0.189 40.651 40.800 0.067 0.000 0.996 375 D HN 0.263 nan 8.370 nan 0.000 0.512 376 E N 1.395 121.562 120.200 -0.054 0.000 2.293 376 E HA 0.232 4.582 4.350 -0.000 0.000 0.270 376 E C -1.143 175.187 176.600 -0.450 0.000 0.879 376 E CA -0.808 55.464 56.400 -0.213 0.000 0.756 376 E CB 1.458 30.909 29.700 -0.415 0.000 1.208 376 E HN 0.229 nan 8.360 nan 0.000 0.428 377 E N 3.946 123.937 120.200 -0.348 0.000 2.152 377 E HA 0.178 4.528 4.350 -0.000 0.000 0.285 377 E C -1.299 175.162 176.600 -0.231 0.000 1.043 377 E CA -0.511 55.703 56.400 -0.310 0.000 0.839 377 E CB 0.447 29.990 29.700 -0.261 0.000 1.069 377 E HN 0.263 nan 8.360 nan 0.000 0.399 378 F N 4.997 125.040 119.950 0.155 0.000 2.313 378 F HA 0.243 4.769 4.527 -0.000 0.000 0.369 378 F C -0.081 175.860 175.800 0.236 0.000 1.109 378 F CA -0.855 57.267 58.000 0.202 0.000 1.132 378 F CB 0.341 39.419 39.000 0.130 0.000 1.291 378 F HN 0.484 nan 8.300 nan 0.000 0.496 379 F N 3.293 123.401 119.950 0.263 0.000 2.661 379 F HA 0.545 5.071 4.527 -0.000 0.000 0.356 379 F C 0.660 176.581 175.800 0.201 0.000 1.244 379 F CA -0.229 57.883 58.000 0.187 0.000 1.290 379 F CB -0.535 38.564 39.000 0.165 0.000 1.677 379 F HN 0.496 nan 8.300 nan 0.000 0.649 380 G N 3.085 111.922 108.800 0.060 0.000 2.430 380 G HA2 0.264 4.224 3.960 -0.000 0.000 0.300 380 G HA3 0.264 4.224 3.960 -0.000 0.000 0.300 380 G C -3.151 171.805 174.900 0.093 0.000 1.330 380 G CA -0.831 44.304 45.100 0.058 0.000 0.813 380 G HN -0.094 nan 8.290 nan 0.000 0.487 381 P HA 0.347 nan 4.420 nan 0.000 0.214 381 P C -0.811 176.653 177.300 0.273 0.000 1.826 381 P CA -0.124 63.133 63.100 0.261 0.000 0.977 381 P CB 0.333 32.106 31.700 0.122 0.000 1.930 382 L N 2.762 124.132 121.223 0.246 0.000 2.366 382 L HA 0.435 4.775 4.340 -0.000 0.000 0.266 382 L C -1.088 175.909 176.870 0.211 0.000 1.010 382 L CA -1.086 53.861 54.840 0.178 0.000 0.879 382 L CB 1.240 43.322 42.059 0.039 0.000 1.228 382 L HN -0.054 nan 8.230 nan 0.000 0.439 383 L N 4.152 125.527 121.223 0.254 0.000 2.275 383 L HA 0.505 4.845 4.340 -0.000 0.000 0.288 383 L C -0.305 176.643 176.870 0.130 0.000 1.046 383 L CA 0.289 55.221 54.840 0.154 0.000 0.805 383 L CB 1.229 43.338 42.059 0.083 0.000 1.193 383 L HN 0.657 nan 8.230 nan 0.000 0.426 384 Q N 3.587 123.461 119.800 0.123 0.000 2.241 384 Q HA 0.567 4.907 4.340 -0.000 0.000 0.254 384 Q C -1.190 174.871 176.000 0.101 0.000 0.917 384 Q CA -0.774 55.100 55.803 0.118 0.000 0.919 384 Q CB 2.433 31.260 28.738 0.149 0.000 1.237 384 Q HN 0.510 nan 8.270 nan 0.000 0.434 385 V N 3.899 123.868 119.914 0.093 0.000 2.459 385 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 385 V C -0.613 175.539 176.094 0.096 0.000 1.029 385 V CA -0.636 61.718 62.300 0.090 0.000 0.874 385 V CB 1.538 33.405 31.823 0.074 0.000 0.985 385 V HN 0.589 nan 8.190 nan 0.000 0.438 386 I N 5.420 126.060 120.570 0.117 0.000 2.466 386 I HA 0.540 4.710 4.170 -0.000 0.000 0.289 386 I C -0.100 176.109 176.117 0.152 0.000 1.026 386 I CA -0.540 60.835 61.300 0.125 0.000 1.078 386 I CB 1.782 39.862 38.000 0.134 0.000 1.249 386 I HN 0.378 nan 8.210 nan 0.000 0.429 387 R N 5.374 125.941 120.500 0.111 0.000 2.297 387 R HA 0.452 4.792 4.340 -0.000 0.000 0.308 387 R C -1.020 175.348 176.300 0.113 0.000 1.029 387 R CA -0.599 55.539 56.100 0.064 0.000 0.929 387 R CB 0.784 31.096 30.300 0.020 0.000 1.046 387 R HN 0.612 nan 8.270 nan 0.000 0.461 388 Y N -1.878 118.468 120.300 0.076 0.000 2.562 388 Y HA 0.403 4.953 4.550 -0.000 0.000 0.343 388 Y C 1.043 176.987 175.900 0.074 0.000 1.025 388 Y CA -1.062 57.079 58.100 0.068 0.000 1.082 388 Y CB 1.170 39.667 38.460 0.063 0.000 1.264 388 Y HN 0.533 nan 8.280 nan 0.000 0.478 389 S N -0.388 115.474 115.700 0.269 0.000 2.404 389 S HA 0.106 4.575 4.470 -0.000 0.000 0.223 389 S C -0.236 174.510 174.600 0.244 0.000 1.040 389 S CA 0.982 59.282 58.200 0.166 0.000 0.957 389 S CB -0.533 62.742 63.200 0.125 0.000 0.826 389 S HN 0.859 nan 8.310 nan 0.000 0.491 390 D N -1.417 119.208 120.400 0.375 0.000 2.626 390 D HA 0.341 4.981 4.640 -0.000 0.000 0.278 390 D C 0.087 176.601 176.300 0.357 0.000 1.211 390 D CA -0.992 53.221 54.000 0.356 0.000 0.903 390 D CB -0.161 40.763 40.800 0.206 0.000 1.408 390 D HN -0.069 nan 8.370 nan 0.000 0.454 391 F N 0.935 120.970 119.950 0.142 0.000 2.161 391 F HA 0.017 4.544 4.527 -0.000 0.000 0.300 391 F C 2.252 178.018 175.800 -0.056 0.000 1.089 391 F CA 2.016 60.013 58.000 -0.004 0.000 1.282 391 F CB -0.429 38.590 39.000 0.032 0.000 1.010 391 F HN 0.537 nan 8.300 nan 0.000 0.485 392 A N -0.020 122.823 122.820 0.038 0.000 1.933 392 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 392 A C 2.406 179.918 177.584 -0.121 0.000 1.175 392 A CA 1.597 53.598 52.037 -0.059 0.000 0.628 392 A CB -1.425 17.588 19.000 0.022 0.000 0.814 392 A HN 0.425 nan 8.150 nan 0.000 0.444 393 A N -0.189 122.594 122.820 -0.060 0.000 1.930 393 A HA 0.210 4.530 4.320 -0.000 0.000 0.217 393 A C 2.458 179.941 177.584 -0.169 0.000 1.175 393 A CA 1.854 53.865 52.037 -0.044 0.000 0.627 393 A CB -0.865 18.186 19.000 0.084 0.000 0.815 393 A HN 0.974 nan 8.150 nan 0.000 0.443 394 A N 0.150 122.707 122.820 -0.438 0.000 1.877 394 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 394 A C 2.108 179.444 177.584 -0.414 0.000 1.186 394 A CA 1.477 53.109 52.037 -0.676 0.000 0.620 394 A CB -0.588 17.598 19.000 -1.356 0.000 0.822 394 A HN 0.485 nan 8.150 nan 0.000 0.443 395 I N -1.251 119.036 120.570 -0.471 0.000 2.226 395 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 395 I C 2.761 178.760 176.117 -0.196 0.000 1.100 395 I CA 1.728 62.834 61.300 -0.324 0.000 1.374 395 I CB -0.325 37.460 38.000 -0.358 0.000 1.057 395 I HN 0.325 nan 8.210 nan 0.000 0.413 396 R N 0.717 121.121 120.500 -0.159 0.000 2.092 396 R HA -0.228 4.112 4.340 -0.000 0.000 0.231 396 R C 2.231 178.492 176.300 -0.065 0.000 1.119 396 R CA 1.606 57.649 56.100 -0.094 0.000 0.970 396 R CB -0.037 30.224 30.300 -0.065 0.000 0.864 396 R HN 0.243 nan 8.270 nan 0.000 0.440 397 E N 0.156 120.318 120.200 -0.063 0.000 2.072 397 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 397 E C 1.650 178.241 176.600 -0.015 0.000 0.982 397 E CA 1.496 57.885 56.400 -0.019 0.000 0.803 397 E CB -0.195 29.511 29.700 0.010 0.000 0.755 397 E HN 0.347 nan 8.360 nan 0.000 0.453 398 A N 0.688 123.484 122.820 -0.040 0.000 1.940 398 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 398 A C 1.825 179.395 177.584 -0.023 0.000 1.176 398 A CA 1.832 53.866 52.037 -0.006 0.000 0.631 398 A CB -0.595 18.413 19.000 0.013 0.000 0.814 398 A HN 0.282 nan 8.150 nan 0.000 0.446 399 N N -0.281 118.383 118.700 -0.059 0.000 2.336 399 N HA 0.183 4.923 4.740 -0.000 0.000 0.189 399 N C 0.495 175.986 175.510 -0.032 0.000 1.113 399 N CA 0.762 53.775 53.050 -0.061 0.000 0.858 399 N CB -0.036 38.394 38.487 -0.096 0.000 0.970 399 N HN 0.377 nan 8.380 nan 0.000 0.471 400 A N 0.624 123.435 122.820 -0.015 0.000 3.063 400 A HA 0.329 4.649 4.320 -0.000 0.000 0.263 400 A C 0.363 177.957 177.584 0.018 0.000 1.736 400 A CA 0.048 52.084 52.037 -0.002 0.000 1.408 400 A CB -0.469 18.535 19.000 0.006 0.000 1.108 400 A HN 0.029 nan 8.150 nan 0.000 0.621 401 T N -0.708 113.853 114.554 0.013 0.000 2.942 401 T HA 0.291 4.641 4.350 -0.000 0.000 0.327 401 T C 0.794 175.480 174.700 -0.023 0.000 1.360 401 T CA -0.031 62.091 62.100 0.036 0.000 1.055 401 T CB 1.226 70.163 68.868 0.115 0.000 1.261 401 T HN 0.603 nan 8.240 nan 0.000 0.485 402 Q N 1.714 121.449 119.800 -0.109 0.000 2.435 402 Q HA 0.054 4.394 4.340 -0.000 0.000 0.207 402 Q C -0.269 175.564 176.000 -0.279 0.000 0.956 402 Q CA 0.678 56.342 55.803 -0.232 0.000 0.917 402 Q CB -0.166 28.355 28.738 -0.361 0.000 0.997 402 Q HN 0.638 nan 8.270 nan 0.000 0.497 403 Y N 0.283 120.565 120.300 -0.030 0.000 2.344 403 Y HA 0.506 5.055 4.550 -0.000 0.000 0.330 403 Y C 1.204 177.081 175.900 -0.037 0.000 1.330 403 Y CA 0.121 58.202 58.100 -0.031 0.000 1.479 403 Y CB 1.332 39.783 38.460 -0.016 0.000 1.428 403 Y HN 0.065 nan 8.280 nan 0.000 0.544 404 G N 0.096 108.991 108.800 0.158 0.000 5.515 404 G HA2 0.088 4.048 3.960 -0.000 0.000 0.198 404 G HA3 0.088 4.048 3.960 -0.000 0.000 0.198 404 G C -0.098 174.808 174.900 0.009 0.000 0.858 404 G CA -0.237 44.890 45.100 0.046 0.000 0.634 404 G HN 0.649 nan 8.290 nan 0.000 0.290 405 L N 0.178 121.415 121.223 0.023 0.000 2.056 405 L HA 0.738 5.078 4.340 -0.000 0.000 0.202 405 L C 1.139 177.962 176.870 -0.079 0.000 1.086 405 L CA 1.369 56.183 54.840 -0.044 0.000 0.758 405 L CB 0.211 42.265 42.059 -0.008 0.000 0.912 405 L HN 0.305 nan 8.230 nan 0.000 0.446 406 A N -1.028 121.782 122.820 -0.018 0.000 2.454 406 A HA 0.823 5.142 4.320 -0.000 0.000 0.302 406 A C -1.310 176.316 177.584 0.069 0.000 1.079 406 A CA 0.014 52.056 52.037 0.009 0.000 0.731 406 A CB 1.619 20.635 19.000 0.027 0.000 1.299 406 A HN 0.379 nan 8.150 nan 0.000 0.413 407 A N -0.158 122.738 122.820 0.128 0.000 2.594 407 A HA 0.941 5.261 4.320 -0.000 0.000 0.295 407 A C -0.259 177.538 177.584 0.355 0.000 1.071 407 A CA -0.022 52.150 52.037 0.226 0.000 0.685 407 A CB 1.503 20.615 19.000 0.187 0.000 1.285 407 A HN 2.372 nan 8.150 nan 0.000 0.405 408 G N -0.783 108.239 108.800 0.371 0.000 2.692 408 G HA2 0.695 4.655 3.960 -0.000 0.000 0.291 408 G HA3 0.695 4.655 3.960 -0.000 0.000 0.291 408 G C -2.159 172.730 174.900 -0.019 0.000 1.423 408 G CA -0.513 44.756 45.100 0.281 0.000 0.843 408 G HN 1.525 nan 8.290 nan 0.000 0.486 409 L N 0.242 121.404 121.223 -0.102 0.000 2.410 409 L HA 0.705 5.045 4.340 -0.000 0.000 0.270 409 L C -1.054 175.859 176.870 0.072 0.000 0.983 409 L CA -0.741 53.965 54.840 -0.223 0.000 0.822 409 L CB 1.781 43.586 42.059 -0.423 0.000 1.285 409 L HN 0.435 nan 8.230 nan 0.000 0.409 410 L N 4.513 125.777 121.223 0.069 0.000 2.265 410 L HA 0.758 5.098 4.340 -0.000 0.000 0.289 410 L C -0.084 176.855 176.870 0.114 0.000 1.033 410 L CA -0.312 54.573 54.840 0.074 0.000 0.814 410 L CB 1.329 43.431 42.059 0.072 0.000 1.203 410 L HN 0.744 nan 8.230 nan 0.000 0.423 411 S N 0.994 116.791 115.700 0.161 0.000 2.542 411 S HA 0.251 4.721 4.470 -0.000 0.000 0.276 411 S C -0.313 174.415 174.600 0.212 0.000 1.148 411 S CA -0.667 57.638 58.200 0.175 0.000 0.886 411 S CB 1.666 64.993 63.200 0.213 0.000 1.109 411 S HN 0.636 nan 8.310 nan 0.000 0.458 412 D N 1.793 122.245 120.400 0.086 0.000 2.349 412 D HA 0.110 4.749 4.640 -0.000 0.000 0.224 412 D C 0.391 176.812 176.300 0.202 0.000 1.029 412 D CA 0.571 54.621 54.000 0.084 0.000 0.879 412 D CB 0.374 41.168 40.800 -0.010 0.000 0.906 412 D HN 0.327 nan 8.370 nan 0.000 0.528 413 S N 0.411 116.236 115.700 0.209 0.000 2.410 413 S HA 0.200 4.670 4.470 -0.000 0.000 0.304 413 S C 1.113 175.770 174.600 0.095 0.000 1.095 413 S CA -0.735 57.533 58.200 0.114 0.000 1.089 413 S CB 1.508 64.682 63.200 -0.043 0.000 0.968 413 S HN 0.019 nan 8.310 nan 0.000 0.480 414 R N 3.844 124.388 120.500 0.075 0.000 2.096 414 R HA -0.099 4.240 4.340 -0.000 0.000 0.235 414 R C 1.958 178.104 176.300 -0.257 0.000 1.127 414 R CA 2.187 58.126 56.100 -0.269 0.000 0.968 414 R CB -0.323 29.943 30.300 -0.056 0.000 0.861 414 R HN 0.846 nan 8.270 nan 0.000 0.440 415 E N 0.025 120.145 120.200 -0.133 0.000 2.085 415 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 415 E C 1.887 178.392 176.600 -0.159 0.000 0.994 415 E CA 1.135 57.460 56.400 -0.124 0.000 0.801 415 E CB 0.066 29.712 29.700 -0.089 0.000 0.743 415 E HN 0.260 nan 8.360 nan 0.000 0.453 416 R N -0.286 120.091 120.500 -0.205 0.000 2.096 416 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 416 R C 2.283 178.509 176.300 -0.123 0.000 1.127 416 R CA 1.092 57.016 56.100 -0.295 0.000 0.968 416 R CB -0.694 29.298 30.300 -0.514 0.000 0.861 416 R HN 0.305 nan 8.270 nan 0.000 0.440 417 F N 2.644 122.341 119.950 -0.421 0.000 2.186 417 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 417 F C 2.138 177.811 175.800 -0.212 0.000 1.090 417 F CA 1.259 58.970 58.000 -0.482 0.000 1.307 417 F CB -0.022 38.154 39.000 -1.374 0.000 1.019 417 F HN -0.076 nan 8.300 nan 0.000 0.489 418 E N 0.167 120.178 120.200 -0.315 0.000 2.058 418 E HA -0.321 4.029 4.350 -0.000 0.000 0.194 418 E C 2.152 178.624 176.600 -0.213 0.000 0.997 418 E CA 1.597 57.831 56.400 -0.277 0.000 0.801 418 E CB -0.787 28.819 29.700 -0.156 0.000 0.746 418 E HN 0.614 nan 8.360 nan 0.000 0.450 419 Q N -0.132 119.610 119.800 -0.097 0.000 2.079 419 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 419 Q C 2.137 178.151 176.000 0.024 0.000 0.974 419 Q CA 0.902 56.705 55.803 -0.001 0.000 0.840 419 Q CB -0.195 28.606 28.738 0.105 0.000 0.898 419 Q HN 0.185 nan 8.270 nan 0.000 0.430 420 F N 0.912 120.807 119.950 -0.091 0.000 2.126 420 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 420 F C 1.897 177.528 175.800 -0.282 0.000 1.096 420 F CA 1.219 59.148 58.000 -0.119 0.000 1.255 420 F CB -0.317 38.669 39.000 -0.024 0.000 0.997 420 F HN 0.214 nan 8.300 nan 0.000 0.479 421 L N -0.295 120.675 121.223 -0.422 0.000 2.083 421 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 421 L C 2.210 178.904 176.870 -0.293 0.000 1.083 421 L CA 1.533 56.102 54.840 -0.450 0.000 0.752 421 L CB -0.960 40.775 42.059 -0.540 0.000 0.899 421 L HN 0.045 nan 8.230 nan 0.000 0.433 422 V N -0.409 119.367 119.914 -0.230 0.000 2.358 422 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 422 V C 2.208 178.200 176.094 -0.171 0.000 1.047 422 V CA 2.001 64.204 62.300 -0.161 0.000 1.035 422 V CB -0.539 31.215 31.823 -0.114 0.000 0.658 422 V HN 0.517 nan 8.190 nan 0.000 0.452 423 E N -0.703 119.368 120.200 -0.216 0.000 2.472 423 E HA 0.121 4.470 4.350 -0.000 0.000 0.196 423 E C 0.844 177.261 176.600 -0.305 0.000 1.033 423 E CA -0.142 56.125 56.400 -0.222 0.000 0.886 423 E CB 0.372 29.958 29.700 -0.190 0.000 0.944 423 E HN 0.402 nan 8.360 nan 0.000 0.492 424 S N 0.964 116.412 115.700 -0.420 0.000 2.593 424 S HA 0.236 4.706 4.470 -0.000 0.000 0.269 424 S C 0.457 174.906 174.600 -0.252 0.000 1.334 424 S CA -0.134 57.789 58.200 -0.463 0.000 1.015 424 S CB 0.595 63.425 63.200 -0.617 0.000 0.912 424 S HN 0.108 nan 8.310 nan 0.000 0.541 425 R N 1.490 121.871 120.500 -0.197 0.000 2.644 425 R HA 0.548 4.888 4.340 -0.000 0.000 0.271 425 R C -0.946 175.307 176.300 -0.078 0.000 1.687 425 R CA -0.179 55.854 56.100 -0.111 0.000 1.655 425 R CB 0.600 30.846 30.300 -0.090 0.000 1.285 425 R HN 0.615 nan 8.270 nan 0.000 0.643 426 A N -1.191 121.583 122.820 -0.076 0.000 2.612 426 A HA 0.631 4.950 4.320 -0.000 0.000 0.293 426 A C 0.710 178.259 177.584 -0.058 0.000 1.075 426 A CA -0.272 51.733 52.037 -0.054 0.000 0.680 426 A CB 1.232 20.210 19.000 -0.037 0.000 1.279 426 A HN 0.326 nan 8.150 nan 0.000 0.411 427 G N -0.247 108.502 108.800 -0.085 0.000 2.712 427 G HA2 0.367 4.327 3.960 -0.000 0.000 0.212 427 G HA3 0.367 4.327 3.960 -0.000 0.000 0.212 427 G C 0.272 175.096 174.900 -0.127 0.000 1.142 427 G CA 0.650 45.684 45.100 -0.110 0.000 0.789 427 G HN 0.556 nan 8.290 nan 0.000 0.535 428 I N 0.724 121.229 120.570 -0.108 0.000 2.466 428 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 428 I C -1.298 174.850 176.117 0.053 0.000 1.026 428 I CA -0.759 60.508 61.300 -0.055 0.000 1.078 428 I CB 2.907 40.839 38.000 -0.113 0.000 1.249 428 I HN -0.305 nan 8.210 nan 0.000 0.429 429 V N 5.782 125.777 119.914 0.135 0.000 2.509 429 V HA 0.395 4.515 4.120 -0.000 0.000 0.289 429 V C -0.701 175.639 176.094 0.411 0.000 1.026 429 V CA -0.700 61.764 62.300 0.272 0.000 0.872 429 V CB 1.620 33.573 31.823 0.217 0.000 1.017 429 V HN 0.632 nan 8.190 nan 0.000 0.436 430 N N 2.488 121.416 118.700 0.380 0.000 2.430 430 N HA 0.520 5.260 4.740 -0.000 0.000 0.298 430 N C -1.326 174.308 175.510 0.208 0.000 1.130 430 N CA -0.497 52.708 53.050 0.258 0.000 0.894 430 N CB 2.220 40.793 38.487 0.143 0.000 1.209 430 N HN 0.709 nan 8.380 nan 0.000 0.503 431 W N 2.216 123.279 121.300 -0.395 0.000 2.411 431 W HA 0.374 5.034 4.660 -0.000 0.000 0.317 431 W C -0.215 176.099 176.519 -0.342 0.000 1.030 431 W CA -0.794 56.133 57.345 -0.697 0.000 1.239 431 W CB -0.300 28.145 29.460 -1.693 0.000 1.304 431 W HN 0.522 nan 8.180 nan 0.000 0.437 432 N N 3.185 121.710 118.700 -0.292 0.000 2.741 432 N HA -0.222 4.518 4.740 -0.000 0.000 0.251 432 N C -0.801 174.589 175.510 -0.201 0.000 1.112 432 N CA 1.084 53.922 53.050 -0.353 0.000 0.750 432 N CB -0.868 37.186 38.487 -0.721 0.000 1.119 432 N HN 0.405 nan 8.380 nan 0.000 0.561 433 K N 0.833 121.174 120.400 -0.099 0.000 2.426 433 K HA 0.240 4.559 4.320 -0.000 0.000 0.251 433 K C 0.369 176.977 176.600 0.013 0.000 0.941 433 K CA -0.571 55.693 56.287 -0.038 0.000 0.808 433 K CB 1.738 34.220 32.500 -0.030 0.000 1.265 433 K HN 0.281 nan 8.250 nan 0.000 0.432 434 Q N 1.888 121.707 119.800 0.032 0.000 2.386 434 Q HA 0.080 4.420 4.340 -0.000 0.000 0.282 434 Q C 0.383 176.419 176.000 0.061 0.000 1.050 434 Q CA 0.151 55.979 55.803 0.040 0.000 0.918 434 Q CB 0.473 29.237 28.738 0.043 0.000 1.266 434 Q HN 0.558 nan 8.270 nan 0.000 0.423 435 L N 1.174 122.434 121.223 0.063 0.000 2.291 435 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 435 L C 1.134 178.068 176.870 0.106 0.000 1.120 435 L CA 0.816 55.708 54.840 0.086 0.000 0.799 435 L CB -0.552 41.555 42.059 0.079 0.000 0.925 435 L HN 0.851 nan 8.230 nan 0.000 0.446 436 T N -2.390 112.225 114.554 0.102 0.000 2.816 436 T HA 0.472 4.821 4.350 -0.000 0.000 0.282 436 T C 0.935 175.714 174.700 0.132 0.000 0.993 436 T CA 0.037 62.216 62.100 0.131 0.000 0.994 436 T CB 1.479 70.419 68.868 0.120 0.000 1.025 436 T HN 0.307 nan 8.240 nan 0.000 0.529 437 G N 0.024 108.907 108.800 0.140 0.000 2.326 437 G HA2 0.193 4.152 3.960 -0.000 0.000 0.286 437 G HA3 0.193 4.152 3.960 -0.000 0.000 0.286 437 G C 0.167 175.119 174.900 0.088 0.000 1.096 437 G CA -0.261 44.896 45.100 0.095 0.000 1.003 437 G HN 1.329 nan 8.290 nan 0.000 0.503 438 A N -0.029 122.870 122.820 0.131 0.000 2.407 438 A HA 0.849 5.168 4.320 -0.000 0.000 0.248 438 A C 1.113 178.750 177.584 0.090 0.000 1.082 438 A CA 0.734 52.871 52.037 0.166 0.000 0.785 438 A CB 0.591 19.817 19.000 0.377 0.000 1.020 438 A HN 2.279 nan 8.150 nan 0.000 0.489 439 A N 1.668 124.538 122.820 0.083 0.000 2.440 439 A HA 0.440 4.759 4.320 -0.000 0.000 0.251 439 A C 1.267 178.890 177.584 0.065 0.000 1.089 439 A CA 0.262 52.328 52.037 0.048 0.000 0.779 439 A CB 0.032 19.049 19.000 0.030 0.000 1.022 439 A HN 0.955 nan 8.150 nan 0.000 0.492 440 S N 0.991 116.724 115.700 0.057 0.000 2.447 440 S HA -0.121 4.348 4.470 -0.000 0.000 0.233 440 S C 2.045 176.731 174.600 0.144 0.000 1.006 440 S CA 1.506 59.763 58.200 0.096 0.000 0.957 440 S CB -0.216 63.043 63.200 0.099 0.000 0.773 440 S HN 1.037 nan 8.310 nan 0.000 0.507 441 S N 0.696 116.442 115.700 0.077 0.000 2.561 441 S HA 0.428 4.897 4.470 -0.000 0.000 0.225 441 S C 0.531 175.007 174.600 -0.206 0.000 0.977 441 S CA 0.112 58.309 58.200 -0.005 0.000 0.926 441 S CB -0.084 63.076 63.200 -0.067 0.000 0.769 441 S HN 0.442 nan 8.310 nan 0.000 0.533 442 A N 1.804 124.589 122.820 -0.059 0.000 2.354 442 A HA 0.830 5.150 4.320 -0.000 0.000 0.321 442 A C -3.025 174.553 177.584 -0.011 0.000 1.125 442 A CA -2.417 49.553 52.037 -0.111 0.000 0.799 442 A CB 0.695 19.649 19.000 -0.076 0.000 1.293 442 A HN 0.184 nan 8.150 nan 0.000 0.452 443 P HA 0.323 nan 4.420 nan 0.000 0.269 443 P C -1.054 176.249 177.300 0.006 0.000 1.215 443 P CA 0.287 63.262 63.100 -0.209 0.000 0.780 443 P CB 0.213 31.444 31.700 -0.782 0.000 0.898 444 F N 1.742 121.665 119.950 -0.045 0.000 2.716 444 F HA 0.633 5.160 4.527 -0.001 0.000 0.354 444 F C -0.516 175.299 175.800 0.025 0.000 1.168 444 F CA 0.009 58.005 58.000 -0.007 0.000 1.045 444 F CB 1.017 40.017 39.000 -0.000 0.000 1.311 444 F HN 0.413 nan 8.300 nan 0.000 0.477 445 G N 2.967 111.683 108.800 -0.140 0.000 2.753 445 G HA2 0.500 4.460 3.960 -0.000 0.000 0.295 445 G HA3 0.500 4.460 3.960 -0.000 0.000 0.295 445 G C -1.016 173.796 174.900 -0.146 0.000 1.437 445 G CA -0.524 44.552 45.100 -0.040 0.000 1.094 445 G HN 0.901 nan 8.290 nan 0.000 0.540 446 G N 0.206 108.941 108.800 -0.109 0.000 2.451 446 G HA2 0.661 4.620 3.960 -0.000 0.000 0.303 446 G HA3 0.661 4.620 3.960 -0.000 0.000 0.303 446 G C 0.363 175.194 174.900 -0.115 0.000 1.166 446 G CA -0.561 44.477 45.100 -0.103 0.000 0.884 446 G HN 1.115 nan 8.290 nan 0.000 0.514 447 I N -1.267 119.244 120.570 -0.097 0.000 3.474 447 I HA 0.888 5.058 4.170 -0.000 0.000 0.294 447 I C 1.166 177.223 176.117 -0.100 0.000 1.185 447 I CA -0.272 60.943 61.300 -0.142 0.000 1.003 447 I CB 1.110 39.098 38.000 -0.021 0.000 1.327 447 I HN 1.095 nan 8.210 nan 0.000 0.541 448 G N 0.973 109.720 108.800 -0.090 0.000 2.596 448 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.295 448 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.295 448 G C 0.799 175.624 174.900 -0.125 0.000 1.240 448 G CA 1.037 46.085 45.100 -0.086 0.000 0.985 448 G HN 1.561 nan 8.290 nan 0.000 0.555 449 A N -0.772 121.950 122.820 -0.163 0.000 2.239 449 A HA 0.416 4.736 4.320 -0.000 0.000 0.209 449 A C 2.404 179.992 177.584 0.007 0.000 1.171 449 A CA 2.197 54.123 52.037 -0.186 0.000 0.768 449 A CB -0.313 18.381 19.000 -0.510 0.000 0.790 449 A HN 1.202 nan 8.150 nan 0.000 0.478 450 S N -0.893 114.854 115.700 0.078 0.000 2.558 450 S HA 0.374 4.843 4.470 -0.000 0.000 0.217 450 S C 0.895 175.516 174.600 0.035 0.000 0.975 450 S CA 0.512 58.792 58.200 0.134 0.000 0.912 450 S CB 0.215 63.489 63.200 0.124 0.000 0.776 450 S HN 0.861 nan 8.310 nan 0.000 0.526 451 G N 1.623 110.385 108.800 -0.063 0.000 2.663 451 G HA2 0.418 4.378 3.960 -0.000 0.000 0.299 451 G HA3 0.418 4.378 3.960 -0.000 0.000 0.299 451 G C -1.347 173.449 174.900 -0.174 0.000 1.372 451 G CA -0.739 44.306 45.100 -0.091 0.000 0.781 451 G HN 0.171 nan 8.290 nan 0.000 0.491 452 N N -0.950 117.671 118.700 -0.132 0.000 2.553 452 N HA 0.111 4.851 4.740 -0.000 0.000 0.298 452 N C 0.054 175.574 175.510 0.018 0.000 1.596 452 N CA -0.574 52.418 53.050 -0.096 0.000 0.910 452 N CB -0.440 38.027 38.487 -0.033 0.000 1.336 452 N HN 0.660 nan 8.380 nan 0.000 0.497 453 H N 0.540 119.634 119.070 0.040 0.000 2.713 453 H HA -0.141 4.415 4.556 -0.000 0.000 0.311 453 H C -0.647 174.745 175.328 0.106 0.000 1.175 453 H CA 0.684 56.774 56.048 0.069 0.000 1.143 453 H CB -1.120 28.674 29.762 0.053 0.000 1.434 453 H HN 0.588 nan 8.280 nan 0.000 0.418 454 R N 0.781 121.381 120.500 0.166 0.000 2.651 454 R HA 0.209 4.549 4.340 -0.000 0.000 0.282 454 R C -2.582 173.893 176.300 0.290 0.000 1.565 454 R CA -1.520 54.715 56.100 0.224 0.000 1.661 454 R CB 1.446 31.804 30.300 0.096 0.000 1.189 454 R HN 0.064 nan 8.270 nan 0.000 0.621 455 P HA 0.004 nan 4.420 nan 0.000 0.269 455 P C 0.026 177.568 177.300 0.403 0.000 1.215 455 P CA 0.210 63.489 63.100 0.297 0.000 0.780 455 P CB 1.373 33.222 31.700 0.248 0.000 0.898 456 S N 1.658 117.577 115.700 0.366 0.000 2.638 456 S HA 0.697 5.167 4.470 -0.000 0.000 0.256 456 S C 0.616 175.328 174.600 0.187 0.000 1.089 456 S CA 0.415 58.808 58.200 0.322 0.000 1.020 456 S CB 0.025 63.401 63.200 0.292 0.000 1.252 456 S HN 0.685 nan 8.310 nan 0.000 0.542 457 A N 0.368 123.230 122.820 0.071 0.000 5.391 457 A HA -0.321 3.999 4.320 -0.000 0.000 0.315 457 A C 1.211 178.862 177.584 0.112 0.000 1.874 457 A CA 1.959 54.035 52.037 0.063 0.000 0.714 457 A CB -2.230 16.845 19.000 0.124 0.000 1.335 457 A HN 1.409 nan 8.150 nan 0.000 0.382 458 Y N -1.160 119.160 120.300 0.034 0.000 2.207 458 Y HA -0.165 4.385 4.550 -0.000 0.000 0.287 458 Y C 2.114 178.136 175.900 0.204 0.000 1.156 458 Y CA 2.885 61.030 58.100 0.075 0.000 1.182 458 Y CB -0.240 38.247 38.460 0.045 0.000 0.979 458 Y HN 0.526 nan 8.280 nan 0.000 0.521 459 Y N -0.577 119.766 120.300 0.073 0.000 2.471 459 Y HA 0.246 4.796 4.550 0.000 0.000 0.286 459 Y C 2.161 177.930 175.900 -0.218 0.000 1.188 459 Y CA -0.281 57.795 58.100 -0.041 0.000 1.286 459 Y CB -1.243 37.257 38.460 0.067 0.000 1.072 459 Y HN 0.218 nan 8.280 nan 0.000 0.517 460 A N 0.487 123.209 122.820 -0.163 0.000 1.986 460 A HA -0.206 4.113 4.320 -0.000 0.000 0.220 460 A C 2.584 179.676 177.584 -0.820 0.000 1.171 460 A CA 1.745 53.337 52.037 -0.743 0.000 0.640 460 A CB -0.861 17.876 19.000 -0.438 0.000 0.811 460 A HN 0.377 nan 8.150 nan 0.000 0.451 461 A N 0.303 122.884 122.820 -0.397 0.000 1.927 461 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 461 A C 1.723 179.134 177.584 -0.289 0.000 1.185 461 A CA 2.173 54.036 52.037 -0.289 0.000 0.639 461 A CB -0.720 18.119 19.000 -0.269 0.000 0.820 461 A HN 0.511 nan 8.150 nan 0.000 0.451 462 D N -1.201 119.027 120.400 -0.286 0.000 2.149 462 D HA -0.160 4.479 4.640 -0.000 0.000 0.198 462 D C 1.572 177.883 176.300 0.018 0.000 0.990 462 D CA 1.903 55.814 54.000 -0.148 0.000 0.839 462 D CB -0.456 40.275 40.800 -0.117 0.000 0.948 462 D HN 0.868 nan 8.370 nan 0.000 0.460 463 Y N -1.554 118.772 120.300 0.043 0.000 2.466 463 Y HA 0.300 4.850 4.550 -0.000 0.000 0.272 463 Y C 1.695 177.770 175.900 0.292 0.000 1.169 463 Y CA -0.600 57.569 58.100 0.114 0.000 1.285 463 Y CB -0.804 37.611 38.460 -0.075 0.000 1.078 463 Y HN -0.110 nan 8.280 nan 0.000 0.523 464 C N 1.044 120.447 119.300 0.171 0.000 2.673 464 C HA 0.766 5.226 4.460 -0.000 0.000 0.264 464 C C 1.282 176.380 174.990 0.180 0.000 1.304 464 C CA 0.280 59.495 59.018 0.329 0.000 1.727 464 C CB -1.222 26.609 27.740 0.151 0.000 1.932 464 C HN 0.653 nan 8.230 nan 0.000 0.563 465 A N -0.274 122.579 122.820 0.055 0.000 2.572 465 A HA 0.710 5.030 4.320 -0.000 0.000 0.295 465 A C -1.335 176.256 177.584 0.011 0.000 1.072 465 A CA -0.512 51.458 52.037 -0.112 0.000 0.691 465 A CB 0.753 19.728 19.000 -0.042 0.000 1.291 465 A HN 0.426 nan 8.150 nan 0.000 0.404 466 Y N 0.303 120.558 120.300 -0.075 0.000 2.446 466 Y HA 0.821 5.371 4.550 -0.001 0.000 0.338 466 Y C -2.758 173.151 175.900 0.015 0.000 1.055 466 Y CA -3.357 54.775 58.100 0.053 0.000 1.101 466 Y CB 1.159 39.666 38.460 0.079 0.000 1.221 466 Y HN 0.429 nan 8.280 nan 0.000 0.460 467 P HA 0.156 nan 4.420 nan 0.000 0.275 467 P C -0.976 176.230 177.300 -0.158 0.000 1.227 467 P CA -0.243 62.648 63.100 -0.350 0.000 0.781 467 P CB 2.035 33.602 31.700 -0.221 0.000 0.906 468 V N 2.389 122.133 119.914 -0.283 0.000 2.443 468 V HA 0.524 4.644 4.120 -0.000 0.000 0.293 468 V C 0.319 176.338 176.094 -0.125 0.000 1.021 468 V CA -0.836 61.398 62.300 -0.109 0.000 0.848 468 V CB 1.304 33.066 31.823 -0.103 0.000 0.998 468 V HN 0.716 nan 8.190 nan 0.000 0.424 469 A N 3.819 126.600 122.820 -0.066 0.000 2.290 469 A HA 0.845 5.165 4.320 -0.000 0.000 0.310 469 A C 0.104 177.667 177.584 -0.035 0.000 1.202 469 A CA -0.287 51.714 52.037 -0.059 0.000 0.837 469 A CB 0.851 19.827 19.000 -0.039 0.000 1.139 469 A HN 0.717 nan 8.150 nan 0.000 0.509 470 S N 0.924 116.602 115.700 -0.036 0.000 2.521 470 S HA 0.598 5.068 4.470 -0.000 0.000 0.295 470 S C -1.144 173.445 174.600 -0.018 0.000 1.098 470 S CA -0.415 57.771 58.200 -0.023 0.000 0.999 470 S CB 1.384 64.569 63.200 -0.025 0.000 1.034 470 S HN 0.694 nan 8.310 nan 0.000 0.483 471 L N 3.149 124.365 121.223 -0.012 0.000 2.313 471 L HA 0.579 4.919 4.340 -0.000 0.000 0.283 471 L C -0.738 176.127 176.870 -0.008 0.000 1.013 471 L CA 0.063 54.897 54.840 -0.010 0.000 0.816 471 L CB 1.091 43.145 42.059 -0.007 0.000 1.236 471 L HN 0.668 nan 8.230 nan 0.000 0.419 472 E N 2.770 122.966 120.200 -0.008 0.000 2.248 472 E HA 0.624 4.973 4.350 -0.000 0.000 0.267 472 E C -1.413 175.183 176.600 -0.006 0.000 0.877 472 E CA -0.709 55.686 56.400 -0.007 0.000 0.759 472 E CB 2.198 31.893 29.700 -0.009 0.000 1.182 472 E HN 0.464 nan 8.360 nan 0.000 0.418 473 S N 1.706 117.403 115.700 -0.005 0.000 2.540 473 S HA 0.399 4.869 4.470 -0.000 0.000 0.275 473 S C -2.084 172.514 174.600 -0.003 0.000 1.123 473 S CA -1.311 56.887 58.200 -0.004 0.000 0.907 473 S CB 1.065 64.263 63.200 -0.003 0.000 1.081 473 S HN 0.333 nan 8.310 nan 0.000 0.476 474 P HA 0.108 nan 4.420 nan 0.000 0.225 474 P C -0.133 177.165 177.300 -0.002 0.000 1.148 474 P CA 0.496 63.594 63.100 -0.003 0.000 0.779 474 P CB -0.013 31.686 31.700 -0.003 0.000 0.780 475 S N -2.107 113.592 115.700 -0.002 0.000 2.547 475 S HA 0.440 4.910 4.470 -0.000 0.000 0.270 475 S C -0.438 174.161 174.600 -0.002 0.000 1.150 475 S CA -0.984 57.215 58.200 -0.002 0.000 0.850 475 S CB 1.474 64.674 63.200 -0.002 0.000 1.118 475 S HN -0.034 nan 8.310 nan 0.000 0.461 476 V N 1.048 120.962 119.914 -0.001 0.000 2.872 476 V HA 0.706 4.826 4.120 -0.000 0.000 0.307 476 V C 0.297 176.390 176.094 -0.001 0.000 1.072 476 V CA 0.393 62.692 62.300 -0.001 0.000 1.148 476 V CB -0.018 31.805 31.823 -0.001 0.000 0.954 476 V HN 1.575 nan 8.190 nan 0.000 0.490 477 S N 3.606 119.306 115.700 -0.001 0.000 2.625 477 S HA 0.730 5.200 4.470 -0.000 0.000 0.271 477 S C -0.955 173.644 174.600 -0.001 0.000 1.161 477 S CA -1.143 57.056 58.200 -0.001 0.000 0.820 477 S CB 1.436 64.635 63.200 -0.001 0.000 1.137 477 S HN 0.799 nan 8.310 nan 0.000 0.470 478 L N 1.560 122.783 121.223 -0.001 0.000 2.357 478 L HA 0.544 4.883 4.340 -0.000 0.000 0.273 478 L C -2.084 174.785 176.870 -0.001 0.000 1.080 478 L CA -1.907 52.932 54.840 -0.001 0.000 0.803 478 L CB 0.504 42.562 42.059 -0.001 0.000 1.174 478 L HN 0.569 nan 8.230 nan 0.000 0.443 479 P HA 0.175 nan 4.420 nan 0.000 0.274 479 P C 0.151 177.451 177.300 -0.001 0.000 1.237 479 P CA -0.458 62.641 63.100 -0.001 0.000 0.793 479 P CB 0.887 32.586 31.700 -0.001 0.000 0.977 480 A N 0.989 123.808 122.820 -0.001 0.000 1.972 480 A HA -0.008 4.311 4.320 -0.000 0.000 0.219 480 A C 0.768 178.352 177.584 -0.001 0.000 1.169 480 A CA 1.416 53.452 52.037 -0.001 0.000 0.635 480 A CB -0.768 18.232 19.000 -0.001 0.000 0.810 480 A HN 0.595 nan 8.150 nan 0.000 0.446 481 T N 0.717 115.270 114.554 -0.001 0.000 2.840 481 T HA 0.523 4.873 4.350 -0.000 0.000 0.287 481 T C -0.719 173.980 174.700 -0.001 0.000 0.991 481 T CA -0.602 61.497 62.100 -0.001 0.000 0.964 481 T CB 1.371 70.239 68.868 -0.001 0.000 0.954 481 T HN 0.029 nan 8.240 nan 0.000 0.438 482 L N 3.665 124.887 121.223 -0.001 0.000 2.467 482 L HA 0.292 4.632 4.340 -0.000 0.000 0.270 482 L C 1.581 178.450 176.870 -0.001 0.000 1.205 482 L CA 0.084 54.923 54.840 -0.001 0.000 0.828 482 L CB 0.064 42.123 42.059 -0.001 0.000 1.101 482 L HN 0.852 nan 8.230 nan 0.000 0.479 483 T N 0.904 115.457 114.554 -0.001 0.000 2.908 483 T HA 0.180 4.529 4.350 -0.000 0.000 0.325 483 T C -2.159 172.540 174.700 -0.001 0.000 1.092 483 T CA -1.109 60.990 62.100 -0.001 0.000 1.125 483 T CB -0.240 68.627 68.868 -0.001 0.000 1.016 483 T HN 0.384 nan 8.240 nan 0.000 0.550 484 P HA 0.326 nan 4.420 nan 0.000 0.269 484 P C 1.177 178.477 177.300 -0.001 0.000 1.217 484 P CA 0.949 64.048 63.100 -0.001 0.000 0.783 484 P CB -0.087 31.613 31.700 -0.001 0.000 0.898 485 G N 0.130 108.930 108.800 -0.001 0.000 2.159 485 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.256 485 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.256 485 G C 0.176 175.075 174.900 -0.001 0.000 0.977 485 G CA -0.124 44.976 45.100 -0.001 0.000 0.652 485 G HN 0.433 nan 8.290 nan 0.000 0.531 486 I N 0.000 120.569 120.570 -0.001 0.000 2.984 486 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 486 I CA 0.000 61.300 61.300 -0.001 0.000 1.566 486 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 486 I HN 0.000 nan 8.210 nan 0.000 0.494