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 1v6c_1_B DATA FIRST_RESID 1 DATA SEQUENCE AETTPWGQTF VGATVLSDSQ AGNRTIcIID SGYDRSHNDL NANNVTGTNN DATA SEQUENCE SGTGNWYQPG NNNAHGTHVA GTIAAIANNE GVVGVMPNQN ANIHIVKVFN DATA SEQUENCE EAGWGYSSSL VAAIDTcVNS GGANVVTMSL GGSGSTTTER NALNTHYNNG DATA SEQUENCE VLLIAAAGNA GDSSYSYPAS YDSVMSVAAV DSNLDHAAFS QYTDQVEISG DATA SEQUENCE PGEAILSTVT VGEGRLADIT IGGQSYFSNG VVPHNRLTPS GTSYAPAPIN DATA SEQUENCE ASATGALAEc TVNGTSFScG NMANKIcLVE RVGNQGSSYP EINSTKAcKT DATA SEQUENCE AGAKGIIVYS NSALPGLQNP FLVDANSDIT VPSVSVDRAT GLALKAKLGQ DATA SEQUENCE STTVSNQGNQ DYEYYNGTSM ATPHVSGVAT LVWSYHPEcS ASQVRAALNA DATA SEQUENCE TADDLSVAGR DNQTGYGMIN AVAAKAYLDE ScTGPT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.539 177.584 -0.075 0.000 1.274 1 A CA 0.000 52.001 52.037 -0.060 0.000 0.836 1 A CB 0.000 18.953 19.000 -0.079 0.000 0.831 2 E N 1.130 121.302 120.200 -0.045 0.000 2.222 2 E HA 0.699 5.049 4.350 -0.000 0.000 0.267 2 E C -0.786 175.809 176.600 -0.008 0.000 0.884 2 E CA -0.374 55.999 56.400 -0.046 0.000 0.764 2 E CB 1.697 31.382 29.700 -0.025 0.000 1.169 2 E HN 0.581 nan 8.360 nan 0.000 0.413 3 T N 2.451 117.005 114.554 -0.001 0.000 2.824 3 T HA 0.321 4.671 4.350 -0.000 0.000 0.280 3 T C -0.603 174.118 174.700 0.035 0.000 0.995 3 T CA -0.503 61.640 62.100 0.073 0.000 1.009 3 T CB 1.507 70.504 68.868 0.214 0.000 0.955 3 T HN 0.318 nan 8.240 nan 0.000 0.452 4 T N 5.953 120.540 114.554 0.055 0.000 2.853 4 T HA 0.363 4.713 4.350 -0.000 0.000 0.317 4 T C -2.142 172.591 174.700 0.056 0.000 1.059 4 T CA -1.179 60.947 62.100 0.043 0.000 0.954 4 T CB 0.560 69.466 68.868 0.062 0.000 0.994 4 T HN 0.405 nan 8.240 nan 0.000 0.479 5 P HA -0.032 nan 4.420 nan 0.000 0.267 5 P C 1.449 178.754 177.300 0.008 0.000 1.200 5 P CA -0.487 62.604 63.100 -0.015 0.000 0.772 5 P CB 0.732 32.350 31.700 -0.137 0.000 0.855 6 W N 2.698 124.005 121.300 0.010 0.000 2.325 6 W HA -0.159 4.501 4.660 -0.000 0.000 0.299 6 W C 1.401 177.887 176.519 -0.054 0.000 1.215 6 W CA 1.412 58.736 57.345 -0.035 0.000 1.244 6 W CB -2.398 26.922 29.460 -0.234 0.000 1.140 6 W HN 0.423 nan 8.180 nan 0.000 0.523 7 G N 1.472 109.652 108.800 -1.033 0.000 2.442 7 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 7 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 7 G C 1.652 176.470 174.900 -0.136 0.000 1.141 7 G CA 1.198 45.736 45.100 -0.937 0.000 0.763 7 G HN 0.244 nan 8.290 nan 0.000 0.554 8 Q N 0.241 120.034 119.800 -0.012 0.000 2.084 8 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 8 Q C 2.775 178.859 176.000 0.140 0.000 0.978 8 Q CA 1.702 57.553 55.803 0.079 0.000 0.844 8 Q CB -1.044 27.715 28.738 0.035 0.000 0.898 8 Q HN 0.438 nan 8.270 nan 0.000 0.426 9 T N 0.896 115.574 114.554 0.206 0.000 2.737 9 T HA -0.044 4.306 4.350 -0.000 0.000 0.265 9 T C 1.711 176.597 174.700 0.310 0.000 1.038 9 T CA 0.854 63.106 62.100 0.253 0.000 1.144 9 T CB -0.403 68.654 68.868 0.316 0.000 0.866 9 T HN 0.199 nan 8.240 nan 0.000 0.434 10 F N 1.339 121.366 119.950 0.128 0.000 2.171 10 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 10 F C 2.383 178.236 175.800 0.087 0.000 1.090 10 F CA 0.657 58.743 58.000 0.143 0.000 1.293 10 F CB -0.237 38.919 39.000 0.261 0.000 1.013 10 F HN 0.067 nan 8.300 nan 0.000 0.486 11 V N -2.526 117.534 119.914 0.244 0.000 3.623 11 V HA 0.434 4.554 4.120 -0.000 0.000 0.271 11 V C 1.470 177.631 176.094 0.112 0.000 1.248 11 V CA 0.753 63.146 62.300 0.156 0.000 1.156 11 V CB -0.354 31.556 31.823 0.145 0.000 0.870 11 V HN 0.471 nan 8.190 nan 0.000 0.453 12 G N -0.296 108.568 108.800 0.107 0.000 2.157 12 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.239 12 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.239 12 G C 1.012 175.956 174.900 0.073 0.000 0.982 12 G CA 0.394 45.537 45.100 0.072 0.000 0.650 12 G HN 1.411 nan 8.290 nan 0.000 0.527 13 A N 0.226 123.098 122.820 0.087 0.000 2.070 13 A HA 0.213 4.533 4.320 -0.000 0.000 0.220 13 A C 2.472 180.098 177.584 0.070 0.000 1.159 13 A CA 2.702 54.786 52.037 0.078 0.000 0.656 13 A CB -0.690 18.354 19.000 0.074 0.000 0.800 13 A HN 1.562 nan 8.150 nan 0.000 0.453 14 T N -2.772 111.824 114.554 0.071 0.000 3.148 14 T HA 0.142 4.492 4.350 -0.000 0.000 0.253 14 T C 1.078 175.811 174.700 0.055 0.000 1.134 14 T CA 1.035 63.172 62.100 0.063 0.000 1.051 14 T CB -0.126 68.784 68.868 0.070 0.000 0.959 14 T HN 0.763 nan 8.240 nan 0.000 0.525 15 V N -2.478 117.467 119.914 0.053 0.000 3.502 15 V HA 0.573 4.693 4.120 -0.000 0.000 0.288 15 V C 0.059 176.179 176.094 0.043 0.000 1.461 15 V CA -0.680 61.645 62.300 0.042 0.000 1.029 15 V CB 0.028 31.869 31.823 0.030 0.000 0.843 15 V HN 0.320 nan 8.190 nan 0.000 0.438 16 L N 1.873 123.130 121.223 0.056 0.000 2.316 16 L HA 0.707 5.047 4.340 -0.000 0.000 0.280 16 L C 0.255 177.209 176.870 0.139 0.000 1.006 16 L CA -0.223 54.659 54.840 0.070 0.000 0.836 16 L CB 1.461 43.541 42.059 0.036 0.000 1.221 16 L HN 0.239 nan 8.230 nan 0.000 0.418 17 S N 2.213 118.022 115.700 0.182 0.000 2.560 17 S HA 0.081 4.551 4.470 -0.000 0.000 0.284 17 S C 0.715 175.425 174.600 0.183 0.000 1.327 17 S CA 0.154 58.455 58.200 0.168 0.000 1.055 17 S CB 0.315 63.602 63.200 0.144 0.000 0.868 17 S HN 0.757 nan 8.310 nan 0.000 0.506 18 D N 2.456 122.909 120.400 0.089 0.000 2.358 18 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 18 D C 1.515 177.798 176.300 -0.029 0.000 1.123 18 D CA 0.406 54.432 54.000 0.042 0.000 0.833 18 D CB -0.497 40.328 40.800 0.041 0.000 0.946 18 D HN 0.471 nan 8.370 nan 0.000 0.505 19 S N 0.177 115.851 115.700 -0.044 0.000 2.440 19 S HA -0.237 4.233 4.470 -0.000 0.000 0.238 19 S C 1.505 176.029 174.600 -0.128 0.000 1.010 19 S CA 0.841 58.998 58.200 -0.071 0.000 0.972 19 S CB -0.282 62.885 63.200 -0.055 0.000 0.774 19 S HN 0.213 nan 8.310 nan 0.000 0.501 20 Q N 0.339 120.006 119.800 -0.221 0.000 2.319 20 Q HA 0.435 4.775 4.340 -0.000 0.000 0.209 20 Q C 2.088 177.981 176.000 -0.178 0.000 0.884 20 Q CA 0.691 56.346 55.803 -0.247 0.000 0.938 20 Q CB -0.364 28.114 28.738 -0.433 0.000 1.098 20 Q HN 0.679 nan 8.270 nan 0.000 0.517 21 A N 1.193 123.937 122.820 -0.125 0.000 2.194 21 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 21 A C 2.132 179.669 177.584 -0.078 0.000 1.162 21 A CA 1.509 53.501 52.037 -0.075 0.000 0.674 21 A CB -0.864 18.119 19.000 -0.028 0.000 0.789 21 A HN 0.417 nan 8.150 nan 0.000 0.470 22 G N 0.743 109.493 108.800 -0.083 0.000 2.509 22 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 22 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 22 G C 1.082 175.924 174.900 -0.096 0.000 1.124 22 G CA 0.859 45.912 45.100 -0.077 0.000 0.776 22 G HN 0.939 nan 8.290 nan 0.000 0.547 23 N N -0.857 117.772 118.700 -0.119 0.000 2.383 23 N HA 0.080 4.820 4.740 -0.000 0.000 0.192 23 N C 0.205 175.601 175.510 -0.189 0.000 1.141 23 N CA -0.272 52.694 53.050 -0.141 0.000 0.851 23 N CB 0.324 38.726 38.487 -0.142 0.000 0.976 23 N HN -0.003 nan 8.380 nan 0.000 0.465 24 R N 0.279 120.676 120.500 -0.173 0.000 2.803 24 R HA 0.442 4.782 4.340 -0.000 0.000 0.276 24 R C -0.944 175.270 176.300 -0.144 0.000 0.978 24 R CA -0.409 55.564 56.100 -0.211 0.000 0.939 24 R CB 1.821 32.022 30.300 -0.166 0.000 1.179 24 R HN -0.048 nan 8.270 nan 0.000 0.472 25 T N 2.034 116.498 114.554 -0.149 0.000 2.879 25 T HA 0.475 4.825 4.350 -0.000 0.000 0.290 25 T C -0.428 174.238 174.700 -0.056 0.000 0.993 25 T CA -0.489 61.553 62.100 -0.097 0.000 0.975 25 T CB 1.330 70.130 68.868 -0.114 0.000 0.981 25 T HN 0.470 nan 8.240 nan 0.000 0.439 26 I N 2.435 122.993 120.570 -0.020 0.000 2.404 26 I HA 0.641 4.811 4.170 -0.000 0.000 0.293 26 I C -0.653 175.470 176.117 0.010 0.000 0.992 26 I CA -0.674 60.636 61.300 0.016 0.000 1.149 26 I CB 0.666 38.690 38.000 0.041 0.000 1.315 26 I HN 0.701 nan 8.210 nan 0.000 0.446 27 c N 8.397 127.010 118.600 0.021 0.000 2.303 27 c HA 0.584 5.154 4.570 -0.000 0.000 0.326 27 c C -0.091 174.012 174.090 0.021 0.000 1.285 27 c CA -0.660 55.681 56.329 0.021 0.000 1.675 27 c CB -0.070 42.455 42.510 0.025 0.000 2.289 27 c HN 0.666 nan 8.230 nan 0.000 0.512 28 I N 7.592 128.165 120.570 0.005 0.000 2.328 28 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 28 I C -0.131 175.999 176.117 0.023 0.000 1.012 28 I CA -0.063 61.260 61.300 0.038 0.000 1.195 28 I CB 0.829 38.870 38.000 0.068 0.000 1.350 28 I HN 0.500 nan 8.210 nan 0.000 0.464 29 I N 6.441 127.031 120.570 0.033 0.000 2.291 29 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 29 I C 0.017 176.174 176.117 0.067 0.000 1.064 29 I CA 0.423 61.711 61.300 -0.021 0.000 1.269 29 I CB 0.344 38.320 38.000 -0.041 0.000 1.418 29 I HN 0.689 nan 8.210 nan 0.000 0.485 30 D N 2.579 123.025 120.400 0.077 0.000 3.948 30 D HA 0.103 4.743 4.640 -0.000 0.000 0.338 30 D C 0.247 176.733 176.300 0.310 0.000 1.541 30 D CA -0.121 54.056 54.000 0.295 0.000 0.973 30 D CB 1.279 42.280 40.800 0.335 0.000 1.449 30 D HN 0.288 nan 8.370 nan 0.000 0.624 31 S N 0.051 116.000 115.700 0.415 0.000 2.679 31 S HA 0.531 5.001 4.470 -0.000 0.000 0.233 31 S C 0.802 175.534 174.600 0.220 0.000 0.951 31 S CA 0.864 59.264 58.200 0.332 0.000 0.973 31 S CB -0.181 63.208 63.200 0.315 0.000 0.778 31 S HN 0.928 nan 8.310 nan 0.000 0.477 32 G N 0.244 109.176 108.800 0.220 0.000 2.525 32 G HA2 0.004 3.964 3.960 -0.000 0.000 0.685 32 G HA3 0.004 3.964 3.960 -0.000 0.000 0.685 32 G C -1.282 173.814 174.900 0.327 0.000 1.290 32 G CA -0.631 44.620 45.100 0.253 0.000 0.915 32 G HN 0.782 nan 8.290 nan 0.000 0.548 33 Y N 0.688 121.116 120.300 0.213 0.000 2.331 33 Y HA 0.528 5.078 4.550 -0.000 0.000 0.326 33 Y C -0.484 175.499 175.900 0.139 0.000 1.020 33 Y CA -0.795 57.424 58.100 0.199 0.000 1.136 33 Y CB 1.979 40.647 38.460 0.346 0.000 1.157 33 Y HN 0.651 nan 8.280 nan 0.000 0.444 34 D N 5.662 126.037 120.400 -0.040 0.000 2.416 34 D HA 0.050 4.690 4.640 -0.000 0.000 0.240 34 D C 1.160 177.446 176.300 -0.023 0.000 1.250 34 D CA 0.348 54.339 54.000 -0.014 0.000 0.967 34 D CB 0.458 41.236 40.800 -0.036 0.000 1.059 34 D HN 0.788 nan 8.370 nan 0.000 0.512 35 R N 1.623 122.231 120.500 0.180 0.000 2.285 35 R HA -0.106 4.234 4.340 -0.000 0.000 0.213 35 R C 1.679 178.043 176.300 0.106 0.000 1.068 35 R CA 1.133 57.378 56.100 0.243 0.000 1.004 35 R CB 0.176 30.605 30.300 0.215 0.000 0.873 35 R HN 0.380 nan 8.270 nan 0.000 0.467 36 S N -1.631 114.103 115.700 0.057 0.000 2.527 36 S HA -0.095 4.375 4.470 -0.000 0.000 0.222 36 S C 0.518 175.121 174.600 0.005 0.000 0.985 36 S CA -0.159 58.052 58.200 0.020 0.000 0.921 36 S CB -0.241 62.958 63.200 -0.001 0.000 0.772 36 S HN 0.440 nan 8.310 nan 0.000 0.529 37 H N 2.489 121.508 119.070 -0.084 0.000 2.886 37 H HA 0.231 4.787 4.556 -0.000 0.000 0.329 37 H C 1.611 176.894 175.328 -0.075 0.000 1.044 37 H CA 0.357 56.333 56.048 -0.121 0.000 1.456 37 H CB 0.410 30.050 29.762 -0.205 0.000 1.464 37 H HN 0.222 nan 8.280 nan 0.000 0.573 38 N N 3.152 121.803 118.700 -0.080 0.000 2.272 38 N HA -0.194 4.545 4.740 -0.000 0.000 0.185 38 N C 0.285 175.897 175.510 0.170 0.000 1.014 38 N CA 1.230 54.303 53.050 0.039 0.000 0.870 38 N CB 0.173 38.645 38.487 -0.025 0.000 0.975 38 N HN 0.694 nan 8.380 nan 0.000 0.433 39 D N -0.197 120.442 120.400 0.399 0.000 2.340 39 D HA 0.147 4.787 4.640 -0.000 0.000 0.220 39 D C 1.272 177.612 176.300 0.066 0.000 1.039 39 D CA 0.188 54.312 54.000 0.206 0.000 0.866 39 D CB 0.470 41.383 40.800 0.189 0.000 0.913 39 D HN 0.359 nan 8.370 nan 0.000 0.523 40 L N -1.127 120.136 121.223 0.066 0.000 2.902 40 L HA 0.166 4.506 4.340 -0.000 0.000 0.254 40 L C 1.706 178.695 176.870 0.199 0.000 1.115 40 L CA -0.067 54.794 54.840 0.035 0.000 0.947 40 L CB 0.135 41.984 42.059 -0.351 0.000 1.369 40 L HN -0.166 nan 8.230 nan 0.000 0.538 41 N N 1.933 120.722 118.700 0.148 0.000 2.061 41 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 41 N C 1.482 177.070 175.510 0.130 0.000 1.030 41 N CA 1.818 54.955 53.050 0.144 0.000 0.856 41 N CB 0.081 38.615 38.487 0.077 0.000 1.023 41 N HN 0.313 nan 8.380 nan 0.000 0.424 42 A N -0.677 122.205 122.820 0.103 0.000 2.370 42 A HA 0.166 4.486 4.320 -0.000 0.000 0.238 42 A C 0.274 177.905 177.584 0.079 0.000 1.289 42 A CA -0.394 51.688 52.037 0.076 0.000 0.885 42 A CB -0.352 18.678 19.000 0.051 0.000 0.961 42 A HN 0.259 nan 8.150 nan 0.000 0.499 43 N N 1.004 119.775 118.700 0.119 0.000 2.424 43 N HA 0.077 4.817 4.740 -0.000 0.000 0.257 43 N C -0.549 174.993 175.510 0.053 0.000 1.250 43 N CA -0.137 52.969 53.050 0.095 0.000 0.946 43 N CB 0.315 38.893 38.487 0.152 0.000 1.175 43 N HN 0.205 nan 8.380 nan 0.000 0.477 44 N N 0.736 119.448 118.700 0.019 0.000 2.895 44 N HA 0.062 4.802 4.740 -0.000 0.000 0.277 44 N C -0.747 174.739 175.510 -0.039 0.000 1.185 44 N CA 0.042 53.088 53.050 -0.005 0.000 1.106 44 N CB 0.317 38.794 38.487 -0.016 0.000 1.422 44 N HN 0.173 nan 8.380 nan 0.000 0.521 45 V N 1.414 121.299 119.914 -0.048 0.000 2.555 45 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 45 V C -0.026 175.977 176.094 -0.152 0.000 1.038 45 V CA -0.243 61.955 62.300 -0.170 0.000 0.887 45 V CB 1.870 33.504 31.823 -0.315 0.000 0.991 45 V HN 0.608 nan 8.190 nan 0.000 0.434 46 T N 2.639 116.964 114.554 -0.382 0.000 2.838 46 T HA 0.964 5.314 4.350 -0.000 0.000 0.292 46 T C -0.202 173.652 174.700 -1.410 0.000 1.113 46 T CA -0.356 61.471 62.100 -0.456 0.000 1.008 46 T CB 1.786 70.600 68.868 -0.089 0.000 1.259 46 T HN 1.423 nan 8.240 nan 0.000 0.520 47 G N -0.585 107.298 108.800 -1.528 0.000 2.623 47 G HA2 0.569 4.529 3.960 -0.000 0.000 0.290 47 G HA3 0.569 4.529 3.960 -0.000 0.000 0.290 47 G C -1.532 172.827 174.900 -0.901 0.000 1.437 47 G CA -0.772 43.019 45.100 -2.182 0.000 0.798 47 G HN 0.808 nan 8.290 nan 0.000 0.488 48 T N 2.045 116.302 114.554 -0.496 0.000 2.833 48 T HA 0.395 4.745 4.350 -0.000 0.000 0.297 48 T C -0.037 174.733 174.700 0.117 0.000 1.015 48 T CA -0.640 61.467 62.100 0.012 0.000 0.963 48 T CB 0.809 69.771 68.868 0.157 0.000 0.955 48 T HN 0.410 nan 8.240 nan 0.000 0.449 49 N N 3.394 122.230 118.700 0.228 0.000 2.415 49 N HA 0.148 4.888 4.740 -0.000 0.000 0.248 49 N C -0.029 175.540 175.510 0.097 0.000 1.271 49 N CA 0.051 53.222 53.050 0.202 0.000 0.913 49 N CB 0.435 39.026 38.487 0.174 0.000 1.129 49 N HN 0.610 nan 8.380 nan 0.000 0.444 50 N N -0.888 117.840 118.700 0.047 0.000 2.249 50 N HA 0.056 4.796 4.740 -0.000 0.000 0.296 50 N C 0.547 176.003 175.510 -0.090 0.000 1.051 50 N CA -0.314 52.684 53.050 -0.087 0.000 0.815 50 N CB 1.149 39.506 38.487 -0.218 0.000 1.487 50 N HN 0.451 nan 8.380 nan 0.000 0.475 51 S N 1.682 117.315 115.700 -0.112 0.000 2.440 51 S HA -0.117 4.353 4.470 -0.000 0.000 0.240 51 S C 1.559 176.115 174.600 -0.074 0.000 1.014 51 S CA 1.435 59.589 58.200 -0.077 0.000 0.980 51 S CB -0.375 62.782 63.200 -0.072 0.000 0.775 51 S HN 0.673 nan 8.310 nan 0.000 0.499 52 G N 0.800 109.536 108.800 -0.107 0.000 2.939 52 G HA2 0.202 4.162 3.960 -0.000 0.000 0.210 52 G HA3 0.202 4.162 3.960 -0.000 0.000 0.210 52 G C 0.996 175.866 174.900 -0.050 0.000 1.160 52 G CA 0.676 45.732 45.100 -0.073 0.000 0.770 52 G HN 0.735 nan 8.290 nan 0.000 0.543 53 T N -3.116 111.412 114.554 -0.044 0.000 3.339 53 T HA 0.508 4.858 4.350 -0.000 0.000 0.292 53 T C 1.302 175.984 174.700 -0.031 0.000 1.012 53 T CA 0.752 62.838 62.100 -0.024 0.000 0.937 53 T CB 0.593 69.457 68.868 -0.007 0.000 1.164 53 T HN 1.126 nan 8.240 nan 0.000 0.509 54 G N 2.817 111.589 108.800 -0.046 0.000 2.596 54 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.295 54 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.295 54 G C -0.453 174.374 174.900 -0.122 0.000 1.240 54 G CA -0.130 44.921 45.100 -0.082 0.000 0.985 54 G HN 0.668 nan 8.290 nan 0.000 0.555 55 N N 1.966 120.505 118.700 -0.269 0.000 2.455 55 N HA 0.216 4.956 4.740 -0.000 0.000 0.280 55 N C 1.493 176.726 175.510 -0.462 0.000 1.055 55 N CA 0.121 52.849 53.050 -0.537 0.000 0.961 55 N CB 0.635 38.422 38.487 -1.167 0.000 1.121 55 N HN 0.768 nan 8.380 nan 0.000 0.476 56 W N 3.263 124.419 121.300 -0.240 0.000 2.392 56 W HA -0.175 4.485 4.660 -0.000 0.000 0.279 56 W C 0.543 177.054 176.519 -0.013 0.000 1.225 56 W CA 0.491 57.785 57.345 -0.086 0.000 1.233 56 W CB -0.772 28.669 29.460 -0.031 0.000 1.122 56 W HN 0.616 nan 8.180 nan 0.000 0.561 57 Y N 1.038 120.870 120.300 -0.780 0.000 2.471 57 Y HA 0.426 4.976 4.550 -0.000 0.000 0.286 57 Y C 0.481 176.229 175.900 -0.253 0.000 1.188 57 Y CA -0.145 57.545 58.100 -0.684 0.000 1.286 57 Y CB -0.901 36.778 38.460 -1.302 0.000 1.072 57 Y HN -0.004 nan 8.280 nan 0.000 0.517 58 Q N 2.465 122.041 119.800 -0.374 0.000 2.771 58 Q HA 0.227 4.567 4.340 -0.000 0.000 0.247 58 Q C -2.166 173.769 176.000 -0.107 0.000 0.986 58 Q CA -2.111 53.568 55.803 -0.207 0.000 0.713 58 Q CB 1.633 30.185 28.738 -0.309 0.000 1.241 58 Q HN 0.074 nan 8.270 nan 0.000 0.488 59 P HA -0.176 nan 4.420 nan 0.000 0.219 59 P C 0.720 178.028 177.300 0.014 0.000 1.146 59 P CA 1.721 64.838 63.100 0.028 0.000 0.808 59 P CB 0.433 32.170 31.700 0.062 0.000 0.779 60 G N 0.100 108.896 108.800 -0.007 0.000 2.545 60 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 60 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 60 G C -0.857 174.050 174.900 0.012 0.000 1.314 60 G CA -0.569 44.528 45.100 -0.004 0.000 0.906 60 G HN 0.261 nan 8.290 nan 0.000 0.563 61 N N 2.215 120.924 118.700 0.015 0.000 2.473 61 N HA 0.383 5.123 4.740 -0.000 0.000 0.291 61 N C 0.444 175.973 175.510 0.031 0.000 1.083 61 N CA -0.094 52.968 53.050 0.021 0.000 0.951 61 N CB 0.773 39.269 38.487 0.016 0.000 1.164 61 N HN 0.693 nan 8.380 nan 0.000 0.480 62 N N 0.888 119.611 118.700 0.038 0.000 2.714 62 N HA -0.240 4.500 4.740 -0.000 0.000 0.252 62 N C -0.695 174.846 175.510 0.051 0.000 1.014 62 N CA 0.580 53.657 53.050 0.044 0.000 0.735 62 N CB -1.047 37.458 38.487 0.030 0.000 0.924 62 N HN 0.626 nan 8.380 nan 0.000 0.540 63 N N -0.904 117.838 118.700 0.069 0.000 2.622 63 N HA 0.381 5.121 4.740 -0.000 0.000 0.293 63 N C 0.354 175.939 175.510 0.124 0.000 1.788 63 N CA 0.272 53.374 53.050 0.087 0.000 0.860 63 N CB 0.319 38.853 38.487 0.079 0.000 1.388 63 N HN 0.278 nan 8.380 nan 0.000 0.496 64 A N -0.627 122.282 122.820 0.149 0.000 2.251 64 A HA -0.010 4.310 4.320 -0.000 0.000 0.209 64 A C 1.770 179.490 177.584 0.227 0.000 1.187 64 A CA 0.202 52.335 52.037 0.161 0.000 0.823 64 A CB -0.702 18.389 19.000 0.151 0.000 0.846 64 A HN 0.616 nan 8.150 nan 0.000 0.486 65 H N 0.614 119.796 119.070 0.185 0.000 2.319 65 H HA -0.195 4.361 4.556 -0.000 0.000 0.297 65 H C 2.164 177.605 175.328 0.188 0.000 1.097 65 H CA 2.177 58.360 56.048 0.224 0.000 1.285 65 H CB -0.266 29.549 29.762 0.088 0.000 1.368 65 H HN 0.442 nan 8.280 nan 0.000 0.495 66 G N -1.052 107.907 108.800 0.265 0.000 2.443 66 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 66 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 66 G C 1.740 176.697 174.900 0.095 0.000 1.131 66 G CA 1.080 46.303 45.100 0.206 0.000 0.775 66 G HN 0.410 nan 8.290 nan 0.000 0.547 67 T N -0.574 114.001 114.554 0.036 0.000 2.896 67 T HA -0.038 4.312 4.350 -0.000 0.000 0.263 67 T C 1.996 176.583 174.700 -0.188 0.000 1.050 67 T CA 0.877 62.907 62.100 -0.116 0.000 1.140 67 T CB -0.274 68.506 68.868 -0.146 0.000 0.877 67 T HN 0.367 nan 8.240 nan 0.000 0.457 68 H N 0.861 119.778 119.070 -0.255 0.000 2.326 68 H HA -0.000 4.556 4.556 -0.000 0.000 0.301 68 H C 2.248 177.406 175.328 -0.283 0.000 1.081 68 H CA 1.303 57.126 56.048 -0.374 0.000 1.334 68 H CB -0.303 29.100 29.762 -0.598 0.000 1.385 68 H HN 0.132 nan 8.280 nan 0.000 0.504 69 V N 1.352 121.229 119.914 -0.062 0.000 2.287 69 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 69 V C 3.045 179.098 176.094 -0.068 0.000 1.053 69 V CA 1.730 63.999 62.300 -0.051 0.000 1.027 69 V CB -1.217 30.600 31.823 -0.011 0.000 0.646 69 V HN 0.567 nan 8.190 nan 0.000 0.447 70 A N 0.389 123.187 122.820 -0.035 0.000 1.933 70 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 70 A C 2.409 179.936 177.584 -0.095 0.000 1.175 70 A CA 1.949 53.993 52.037 0.013 0.000 0.628 70 A CB -1.205 17.878 19.000 0.137 0.000 0.814 70 A HN 0.551 nan 8.150 nan 0.000 0.444 71 G N -1.348 107.314 108.800 -0.230 0.000 2.432 71 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 71 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 71 G C 1.515 176.264 174.900 -0.252 0.000 1.135 71 G CA 1.577 46.511 45.100 -0.278 0.000 0.767 71 G HN 0.432 nan 8.290 nan 0.000 0.550 72 T N 0.992 115.371 114.554 -0.291 0.000 2.867 72 T HA 0.027 4.377 4.350 -0.000 0.000 0.268 72 T C 2.337 176.876 174.700 -0.269 0.000 1.057 72 T CA 0.679 62.571 62.100 -0.347 0.000 1.136 72 T CB -0.061 68.543 68.868 -0.441 0.000 0.874 72 T HN 0.264 nan 8.240 nan 0.000 0.466 73 I N 0.363 120.835 120.570 -0.164 0.000 2.333 73 I HA 0.079 4.248 4.170 -0.000 0.000 0.246 73 I C 1.740 177.829 176.117 -0.046 0.000 1.106 73 I CA 0.808 62.057 61.300 -0.085 0.000 1.411 73 I CB 0.068 38.054 38.000 -0.024 0.000 1.082 73 I HN 0.131 nan 8.210 nan 0.000 0.420 74 A N 0.433 123.232 122.820 -0.035 0.000 2.709 74 A HA 0.654 4.974 4.320 -0.000 0.000 0.241 74 A C 0.340 177.918 177.584 -0.009 0.000 0.879 74 A CA -0.311 51.725 52.037 -0.002 0.000 1.120 74 A CB -0.340 18.686 19.000 0.044 0.000 1.226 74 A HN 0.117 nan 8.150 nan 0.000 0.468 75 A N 0.573 123.358 122.820 -0.058 0.000 2.540 75 A HA 0.492 4.812 4.320 -0.000 0.000 0.239 75 A C 0.264 177.844 177.584 -0.008 0.000 1.061 75 A CA 0.299 52.303 52.037 -0.055 0.000 0.758 75 A CB -0.318 18.634 19.000 -0.081 0.000 0.991 75 A HN 0.584 nan 8.150 nan 0.000 0.502 76 I N 1.723 122.305 120.570 0.021 0.000 2.529 76 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 76 I C 1.054 177.188 176.117 0.028 0.000 1.082 76 I CA -0.012 61.307 61.300 0.032 0.000 1.406 76 I CB 1.195 39.223 38.000 0.048 0.000 1.405 76 I HN 0.709 nan 8.210 nan 0.000 0.548 77 A N 5.564 128.397 122.820 0.022 0.000 2.395 77 A HA 0.303 4.623 4.320 -0.000 0.000 0.286 77 A C 0.222 177.818 177.584 0.020 0.000 1.193 77 A CA -0.300 51.748 52.037 0.018 0.000 0.852 77 A CB -0.534 18.476 19.000 0.016 0.000 1.118 77 A HN 0.861 nan 8.150 nan 0.000 0.524 78 N N 0.962 119.674 118.700 0.019 0.000 2.361 78 N HA 0.007 4.747 4.740 -0.000 0.000 0.253 78 N C -0.221 175.295 175.510 0.010 0.000 1.413 78 N CA -0.058 53.002 53.050 0.018 0.000 0.821 78 N CB -0.778 37.726 38.487 0.028 0.000 1.380 78 N HN 0.516 nan 8.380 nan 0.000 0.493 79 N N 0.765 119.467 118.700 0.003 0.000 2.741 79 N HA -0.262 4.478 4.740 -0.000 0.000 0.251 79 N C -1.337 174.161 175.510 -0.019 0.000 1.112 79 N CA 1.841 54.886 53.050 -0.008 0.000 0.750 79 N CB -0.728 37.755 38.487 -0.007 0.000 1.119 79 N HN 0.879 nan 8.380 nan 0.000 0.561 80 E N -3.035 117.156 120.200 -0.016 0.000 2.407 80 E HA 0.553 4.903 4.350 -0.000 0.000 0.279 80 E C 0.901 177.475 176.600 -0.043 0.000 1.012 80 E CA -0.787 55.593 56.400 -0.033 0.000 0.800 80 E CB 1.165 30.864 29.700 -0.002 0.000 1.276 80 E HN 0.294 nan 8.360 nan 0.000 0.452 81 G N 0.393 109.094 108.800 -0.164 0.000 2.591 81 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.298 81 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.298 81 G C 0.313 175.012 174.900 -0.335 0.000 1.195 81 G CA 1.604 46.441 45.100 -0.438 0.000 0.989 81 G HN 1.553 nan 8.290 nan 0.000 0.551 82 V N -2.399 117.428 119.914 -0.145 0.000 3.119 82 V HA 0.967 5.087 4.120 -0.000 0.000 0.309 82 V C 0.504 176.579 176.094 -0.032 0.000 1.304 82 V CA 0.183 62.429 62.300 -0.089 0.000 1.057 82 V CB 1.121 32.882 31.823 -0.104 0.000 1.150 82 V HN 2.353 nan 8.190 nan 0.000 0.474 83 V N -2.537 117.352 119.914 -0.041 0.000 2.925 83 V HA 1.029 5.149 4.120 -0.000 0.000 0.311 83 V C 0.170 176.229 176.094 -0.058 0.000 1.104 83 V CA 0.284 62.566 62.300 -0.030 0.000 0.954 83 V CB 0.957 32.775 31.823 -0.009 0.000 1.022 83 V HN 1.523 nan 8.190 nan 0.000 0.427 84 G N 0.759 109.526 108.800 -0.056 0.000 2.753 84 G HA2 0.514 4.474 3.960 -0.000 0.000 0.285 84 G HA3 0.514 4.474 3.960 -0.000 0.000 0.285 84 G C 0.617 175.487 174.900 -0.049 0.000 1.344 84 G CA -0.122 44.927 45.100 -0.085 0.000 1.050 84 G HN 0.938 nan 8.290 nan 0.000 0.532 85 V N -0.033 119.846 119.914 -0.059 0.000 2.332 85 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 85 V C 1.374 177.480 176.094 0.020 0.000 1.055 85 V CA 1.617 63.911 62.300 -0.010 0.000 1.038 85 V CB -0.563 31.255 31.823 -0.007 0.000 0.651 85 V HN 0.450 nan 8.190 nan 0.000 0.450 86 M N 1.129 120.738 119.600 0.014 0.000 2.065 86 M HA 0.288 4.768 4.480 -0.000 0.000 0.308 86 M C -2.250 174.060 176.300 0.017 0.000 0.939 86 M CA -1.146 54.170 55.300 0.026 0.000 0.890 86 M CB 2.255 34.873 32.600 0.030 0.000 1.383 86 M HN 0.009 nan 8.290 nan 0.000 0.381 87 P HA 0.139 nan 4.420 nan 0.000 0.261 87 P C -0.283 177.028 177.300 0.019 0.000 1.268 87 P CA 0.524 63.633 63.100 0.015 0.000 0.833 87 P CB 0.009 31.715 31.700 0.011 0.000 1.231 88 N N 0.635 119.346 118.700 0.019 0.000 2.320 88 N HA 0.110 4.850 4.740 -0.000 0.000 0.237 88 N C -0.256 175.262 175.510 0.013 0.000 1.129 88 N CA -0.204 52.856 53.050 0.016 0.000 0.854 88 N CB -0.138 38.358 38.487 0.014 0.000 1.083 88 N HN -0.048 nan 8.380 nan 0.000 0.504 89 Q N -1.005 118.806 119.800 0.018 0.000 2.468 89 Q HA -0.269 4.071 4.340 -0.000 0.000 0.289 89 Q C -0.250 175.753 176.000 0.005 0.000 1.299 89 Q CA 0.556 56.370 55.803 0.018 0.000 0.838 89 Q CB -1.998 26.752 28.738 0.021 0.000 1.195 89 Q HN 0.629 nan 8.270 nan 0.000 0.456 90 N N -0.427 118.271 118.700 -0.002 0.000 2.606 90 N HA 0.252 4.992 4.740 -0.000 0.000 0.208 90 N C 0.416 175.911 175.510 -0.024 0.000 1.046 90 N CA 0.306 53.346 53.050 -0.017 0.000 0.891 90 N CB 0.342 38.814 38.487 -0.026 0.000 1.344 90 N HN 0.333 nan 8.380 nan 0.000 0.437 91 A N 1.231 124.042 122.820 -0.015 0.000 2.531 91 A HA 0.118 4.438 4.320 -0.000 0.000 0.236 91 A C -0.306 177.263 177.584 -0.025 0.000 1.062 91 A CA 0.131 52.156 52.037 -0.019 0.000 0.760 91 A CB 0.062 19.061 19.000 -0.001 0.000 0.995 91 A HN 0.262 nan 8.150 nan 0.000 0.501 92 N N 1.191 119.866 118.700 -0.041 0.000 2.426 92 N HA 0.460 5.200 4.740 -0.000 0.000 0.275 92 N C -0.902 174.579 175.510 -0.050 0.000 1.019 92 N CA 0.104 53.125 53.050 -0.049 0.000 0.941 92 N CB 1.308 39.758 38.487 -0.062 0.000 1.123 92 N HN 0.542 nan 8.380 nan 0.000 0.486 93 I N 1.396 121.924 120.570 -0.071 0.000 2.433 93 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 93 I C -0.412 175.608 176.117 -0.161 0.000 1.001 93 I CA -0.723 60.519 61.300 -0.098 0.000 1.119 93 I CB 1.616 39.545 38.000 -0.118 0.000 1.289 93 I HN 0.410 nan 8.210 nan 0.000 0.438 94 H N 6.060 124.981 119.070 -0.249 0.000 2.538 94 H HA 0.590 5.146 4.556 -0.000 0.000 0.353 94 H C -1.149 173.967 175.328 -0.353 0.000 1.109 94 H CA -0.518 55.324 56.048 -0.344 0.000 1.192 94 H CB 1.306 30.917 29.762 -0.251 0.000 1.555 94 H HN 0.302 nan 8.280 nan 0.000 0.518 95 I N 5.824 125.833 120.570 -0.936 0.000 2.404 95 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 95 I C -0.585 175.241 176.117 -0.486 0.000 0.992 95 I CA -0.828 60.123 61.300 -0.583 0.000 1.149 95 I CB 1.420 39.119 38.000 -0.501 0.000 1.315 95 I HN 0.343 nan 8.210 nan 0.000 0.446 96 V N 6.329 126.127 119.914 -0.193 0.000 2.409 96 V HA 0.292 4.411 4.120 -0.000 0.000 0.290 96 V C 0.163 176.193 176.094 -0.106 0.000 1.017 96 V CA -0.926 61.302 62.300 -0.120 0.000 0.841 96 V CB 1.944 33.699 31.823 -0.113 0.000 1.003 96 V HN 0.655 nan 8.190 nan 0.000 0.426 97 K N 3.815 124.207 120.400 -0.013 0.000 2.263 97 K HA 0.366 4.686 4.320 -0.000 0.000 0.282 97 K C 0.693 177.183 176.600 -0.184 0.000 1.089 97 K CA -0.257 56.015 56.287 -0.024 0.000 0.907 97 K CB 1.279 33.837 32.500 0.097 0.000 1.148 97 K HN 0.630 nan 8.250 nan 0.000 0.470 98 V N 1.612 121.219 119.914 -0.510 0.000 3.644 98 V HA 0.325 4.445 4.120 -0.000 0.000 0.267 98 V C 0.071 175.566 176.094 -0.998 0.000 1.277 98 V CA -0.120 61.551 62.300 -1.049 0.000 1.096 98 V CB -0.533 30.206 31.823 -1.807 0.000 0.828 98 V HN 0.414 nan 8.190 nan 0.000 0.446 99 F N 1.450 121.252 119.950 -0.247 0.000 2.480 99 F HA 0.664 5.191 4.527 -0.000 0.000 0.329 99 F C 0.466 176.237 175.800 -0.049 0.000 1.091 99 F CA -0.825 57.107 58.000 -0.113 0.000 0.972 99 F CB 1.467 40.456 39.000 -0.019 0.000 1.150 99 F HN -0.045 nan 8.300 nan 0.000 0.467 100 N N 0.804 119.622 118.700 0.197 0.000 2.531 100 N HA 0.129 4.869 4.740 -0.000 0.000 0.290 100 N C 0.881 176.458 175.510 0.112 0.000 1.257 100 N CA -0.577 52.540 53.050 0.112 0.000 0.863 100 N CB 1.228 39.757 38.487 0.070 0.000 1.320 100 N HN 0.745 nan 8.380 nan 0.000 0.538 101 E N 0.645 120.887 120.200 0.070 0.000 2.097 101 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 101 E C 1.217 177.846 176.600 0.049 0.000 1.000 101 E CA 1.526 57.956 56.400 0.050 0.000 0.804 101 E CB -0.008 29.713 29.700 0.036 0.000 0.740 101 E HN 0.628 nan 8.360 nan 0.000 0.454 102 A N 0.208 123.066 122.820 0.063 0.000 2.119 102 A HA 0.244 4.564 4.320 -0.000 0.000 0.217 102 A C 1.147 178.791 177.584 0.100 0.000 1.153 102 A CA 1.378 53.455 52.037 0.068 0.000 0.692 102 A CB -0.267 18.774 19.000 0.067 0.000 0.799 102 A HN 0.531 nan 8.150 nan 0.000 0.458 103 G N -2.459 106.431 108.800 0.150 0.000 2.270 103 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.268 103 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.268 103 G C -0.757 174.419 174.900 0.459 0.000 1.312 103 G CA -0.377 44.875 45.100 0.252 0.000 1.050 103 G HN 0.659 nan 8.290 nan 0.000 0.474 104 W N 2.418 123.953 121.300 0.393 0.000 2.417 104 W HA 0.439 5.099 4.660 -0.000 0.000 0.332 104 W C 0.818 177.428 176.519 0.151 0.000 1.413 104 W CA 1.185 58.691 57.345 0.268 0.000 1.299 104 W CB 0.300 29.866 29.460 0.177 0.000 1.304 104 W HN 1.141 nan 8.180 nan 0.000 0.565 105 G N 5.438 114.130 108.800 -0.180 0.000 3.342 105 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.252 105 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.252 105 G C -0.582 174.222 174.900 -0.160 0.000 1.011 105 G CA -0.368 44.693 45.100 -0.065 0.000 0.869 105 G HN 0.495 nan 8.290 nan 0.000 0.514 106 Y N 2.931 122.804 120.300 -0.711 0.000 2.712 106 Y HA 0.140 4.690 4.550 -0.000 0.000 0.333 106 Y C 2.017 177.866 175.900 -0.085 0.000 1.225 106 Y CA 0.148 57.953 58.100 -0.491 0.000 1.499 106 Y CB 1.332 39.287 38.460 -0.842 0.000 1.288 106 Y HN 0.128 nan 8.280 nan 0.000 0.575 107 S N 0.926 116.444 115.700 -0.304 0.000 2.447 107 S HA -0.006 4.464 4.470 -0.000 0.000 0.233 107 S C 0.679 175.256 174.600 -0.037 0.000 1.006 107 S CA 0.886 59.001 58.200 -0.141 0.000 0.957 107 S CB -0.159 62.920 63.200 -0.201 0.000 0.773 107 S HN 0.450 nan 8.310 nan 0.000 0.507 108 S N 0.969 116.634 115.700 -0.058 0.000 2.795 108 S HA 0.686 5.156 4.470 -0.000 0.000 0.308 108 S C 0.083 175.000 174.600 0.530 0.000 1.098 108 S CA -0.369 57.939 58.200 0.180 0.000 0.934 108 S CB 1.390 64.642 63.200 0.086 0.000 1.300 108 S HN 0.651 nan 8.310 nan 0.000 0.566 109 S N 0.230 116.174 115.700 0.407 0.000 2.686 109 S HA 0.365 4.835 4.470 -0.000 0.000 0.270 109 S C 0.983 175.850 174.600 0.446 0.000 1.194 109 S CA -0.549 57.870 58.200 0.365 0.000 0.990 109 S CB 0.102 63.407 63.200 0.175 0.000 1.029 109 S HN 0.529 nan 8.310 nan 0.000 0.560 110 L N 1.127 122.518 121.223 0.279 0.000 2.093 110 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 110 L C 2.276 179.250 176.870 0.174 0.000 1.085 110 L CA 1.520 56.513 54.840 0.254 0.000 0.755 110 L CB -0.886 41.256 42.059 0.138 0.000 0.904 110 L HN 0.664 nan 8.230 nan 0.000 0.435 111 V N 0.240 120.247 119.914 0.155 0.000 2.343 111 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 111 V C 2.828 179.025 176.094 0.171 0.000 1.051 111 V CA 1.635 64.023 62.300 0.146 0.000 1.036 111 V CB -1.352 30.538 31.823 0.113 0.000 0.654 111 V HN 0.620 nan 8.190 nan 0.000 0.451 112 A N -0.072 122.872 122.820 0.206 0.000 1.933 112 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 112 A C 2.419 180.155 177.584 0.253 0.000 1.175 112 A CA 2.112 54.290 52.037 0.235 0.000 0.628 112 A CB -0.728 18.442 19.000 0.283 0.000 0.814 112 A HN 0.580 nan 8.150 nan 0.000 0.444 113 A N -0.144 122.809 122.820 0.223 0.000 1.898 113 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 113 A C 2.105 179.696 177.584 0.012 0.000 1.181 113 A CA 1.480 53.524 52.037 0.011 0.000 0.620 113 A CB -0.556 18.230 19.000 -0.357 0.000 0.819 113 A HN 0.502 nan 8.150 nan 0.000 0.442 114 I N -0.184 120.401 120.570 0.025 0.000 2.252 114 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 114 I C 1.759 177.824 176.117 -0.086 0.000 1.102 114 I CA 1.262 62.533 61.300 -0.048 0.000 1.385 114 I CB -0.455 37.518 38.000 -0.046 0.000 1.064 114 I HN 0.219 nan 8.210 nan 0.000 0.414 115 D N 0.562 120.997 120.400 0.058 0.000 2.123 115 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 115 D C 2.209 178.542 176.300 0.055 0.000 0.992 115 D CA 1.581 55.652 54.000 0.119 0.000 0.833 115 D CB -0.368 40.537 40.800 0.175 0.000 0.954 115 D HN 0.258 nan 8.370 nan 0.000 0.455 116 T N 0.073 114.667 114.554 0.067 0.000 2.777 116 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 116 T C 2.250 176.947 174.700 -0.005 0.000 1.040 116 T CA 0.832 62.967 62.100 0.059 0.000 1.141 116 T CB -0.516 68.430 68.868 0.131 0.000 0.868 116 T HN 0.229 nan 8.240 nan 0.000 0.444 117 c N 0.956 119.547 118.600 -0.014 0.000 2.398 117 c HA -0.059 4.511 4.570 -0.000 0.000 0.276 117 c C 2.848 176.857 174.090 -0.136 0.000 1.222 117 c CA 0.508 56.806 56.329 -0.052 0.000 1.746 117 c CB -1.130 41.351 42.510 -0.049 0.000 2.039 117 c HN 0.371 nan 8.230 nan 0.000 0.470 118 V N 1.525 121.368 119.914 -0.119 0.000 2.283 118 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 118 V C 2.154 178.203 176.094 -0.075 0.000 1.039 118 V CA 2.039 64.280 62.300 -0.098 0.000 1.016 118 V CB -0.680 31.096 31.823 -0.078 0.000 0.650 118 V HN 0.518 nan 8.190 nan 0.000 0.449 119 N N 0.255 118.931 118.700 -0.039 0.000 2.171 119 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 119 N C 2.008 177.470 175.510 -0.080 0.000 1.021 119 N CA 1.734 54.765 53.050 -0.033 0.000 0.854 119 N CB -0.245 38.248 38.487 0.010 0.000 0.994 119 N HN 0.374 nan 8.380 nan 0.000 0.426 120 S N -0.560 115.072 115.700 -0.113 0.000 2.456 120 S HA 0.118 4.588 4.470 -0.000 0.000 0.224 120 S C 1.848 176.204 174.600 -0.407 0.000 1.035 120 S CA 0.626 58.730 58.200 -0.159 0.000 0.940 120 S CB 0.192 63.359 63.200 -0.055 0.000 0.799 120 S HN 0.490 nan 8.310 nan 0.000 0.508 121 G N 0.207 108.627 108.800 -0.633 0.000 2.796 121 G HA2 0.396 4.356 3.960 -0.000 0.000 0.210 121 G HA3 0.396 4.356 3.960 -0.000 0.000 0.210 121 G C 0.946 175.581 174.900 -0.441 0.000 1.146 121 G CA 0.266 44.753 45.100 -1.022 0.000 0.779 121 G HN 0.746 nan 8.290 nan 0.000 0.535 122 G N -0.186 108.452 108.800 -0.270 0.000 2.221 122 G HA2 0.104 4.064 3.960 -0.000 0.000 0.265 122 G HA3 0.104 4.064 3.960 -0.000 0.000 0.265 122 G C 0.518 175.326 174.900 -0.153 0.000 1.041 122 G CA 0.345 45.342 45.100 -0.172 0.000 0.807 122 G HN 1.351 nan 8.290 nan 0.000 0.502 123 A N -0.818 121.913 122.820 -0.148 0.000 2.511 123 A HA 0.571 4.890 4.320 -0.000 0.000 0.242 123 A C 1.063 178.604 177.584 -0.071 0.000 1.069 123 A CA 1.034 53.011 52.037 -0.100 0.000 0.763 123 A CB 0.149 19.105 19.000 -0.073 0.000 1.001 123 A HN 0.582 nan 8.150 nan 0.000 0.498 124 N N 0.220 118.872 118.700 -0.080 0.000 2.454 124 N HA 0.180 4.920 4.740 -0.000 0.000 0.177 124 N C -0.561 175.052 175.510 0.171 0.000 1.049 124 N CA 0.337 53.332 53.050 -0.092 0.000 0.887 124 N CB 0.551 38.760 38.487 -0.463 0.000 1.095 124 N HN 0.404 nan 8.380 nan 0.000 0.446 125 V N 1.406 121.406 119.914 0.143 0.000 2.588 125 V HA 0.434 4.554 4.120 -0.000 0.000 0.304 125 V C -0.746 175.414 176.094 0.110 0.000 1.042 125 V CA -0.819 61.607 62.300 0.210 0.000 0.877 125 V CB 2.350 34.316 31.823 0.238 0.000 0.996 125 V HN -0.232 nan 8.190 nan 0.000 0.425 126 V N 3.288 123.265 119.914 0.105 0.000 2.407 126 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 126 V C 0.072 176.217 176.094 0.085 0.000 1.018 126 V CA -0.287 62.052 62.300 0.065 0.000 0.842 126 V CB 1.922 33.762 31.823 0.028 0.000 0.996 126 V HN 0.923 nan 8.190 nan 0.000 0.426 127 T N 6.888 121.491 114.554 0.083 0.000 2.771 127 T HA 0.700 5.050 4.350 -0.000 0.000 0.281 127 T C -0.503 174.263 174.700 0.110 0.000 0.982 127 T CA -0.409 61.750 62.100 0.099 0.000 0.978 127 T CB 0.486 69.411 68.868 0.095 0.000 0.930 127 T HN 0.574 nan 8.240 nan 0.000 0.447 128 M N 4.181 123.859 119.600 0.130 0.000 1.999 128 M HA 0.297 4.777 4.480 -0.000 0.000 0.299 128 M C 0.136 176.551 176.300 0.191 0.000 0.900 128 M CA -0.466 54.930 55.300 0.159 0.000 0.904 128 M CB 1.728 34.417 32.600 0.150 0.000 1.477 128 M HN 0.375 nan 8.290 nan 0.000 0.403 129 S N 4.675 120.518 115.700 0.239 0.000 4.120 129 S HA 0.482 4.952 4.470 -0.000 0.000 0.196 129 S C -0.508 174.267 174.600 0.291 0.000 1.447 129 S CA -0.505 57.860 58.200 0.275 0.000 0.939 129 S CB -0.902 62.507 63.200 0.347 0.000 1.496 129 S HN 0.551 nan 8.310 nan 0.000 0.460 130 L N -2.000 119.366 121.223 0.240 0.000 2.671 130 L HA 1.065 5.405 4.340 -0.000 0.000 0.259 130 L C -0.499 176.481 176.870 0.183 0.000 1.021 130 L CA -0.805 54.182 54.840 0.245 0.000 0.871 130 L CB 1.036 43.356 42.059 0.435 0.000 1.472 130 L HN 0.145 nan 8.230 nan 0.000 0.410 131 G N -1.539 107.355 108.800 0.157 0.000 2.667 131 G HA2 0.712 4.672 3.960 -0.000 0.000 0.294 131 G HA3 0.712 4.672 3.960 -0.000 0.000 0.294 131 G C -1.443 173.513 174.900 0.092 0.000 1.467 131 G CA -0.110 45.056 45.100 0.110 0.000 0.852 131 G HN 1.071 nan 8.290 nan 0.000 0.521 132 G N -1.109 107.745 108.800 0.091 0.000 2.642 132 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 132 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 132 G C 0.881 175.858 174.900 0.128 0.000 1.341 132 G CA 0.650 45.796 45.100 0.076 0.000 0.916 132 G HN 1.457 nan 8.290 nan 0.000 0.474 133 S N -0.623 115.138 115.700 0.103 0.000 2.470 133 S HA 0.220 4.690 4.470 -0.000 0.000 0.225 133 S C 1.325 176.030 174.600 0.174 0.000 1.006 133 S CA 0.560 58.847 58.200 0.146 0.000 0.934 133 S CB -0.015 63.232 63.200 0.077 0.000 0.778 133 S HN 1.002 nan 8.310 nan 0.000 0.517 134 G N 1.323 110.161 108.800 0.064 0.000 2.476 134 G HA2 0.509 4.469 3.960 -0.000 0.000 0.269 134 G HA3 0.509 4.469 3.960 -0.000 0.000 0.269 134 G C -0.500 174.246 174.900 -0.257 0.000 1.195 134 G CA -0.158 44.908 45.100 -0.057 0.000 0.843 134 G HN 0.624 nan 8.290 nan 0.000 0.545 135 S N -0.888 114.571 115.700 -0.401 0.000 2.549 135 S HA 0.849 5.319 4.470 -0.000 0.000 0.280 135 S C -0.420 174.066 174.600 -0.189 0.000 1.109 135 S CA -0.381 57.482 58.200 -0.562 0.000 0.905 135 S CB 2.101 64.530 63.200 -1.286 0.000 1.081 135 S HN 1.352 nan 8.310 nan 0.000 0.477 136 T N -2.177 112.359 114.554 -0.030 0.000 2.883 136 T HA 0.541 4.891 4.350 -0.000 0.000 0.301 136 T C 0.609 175.288 174.700 -0.035 0.000 1.158 136 T CA -0.527 61.553 62.100 -0.034 0.000 1.007 136 T CB 1.160 70.009 68.868 -0.032 0.000 1.186 136 T HN 0.428 nan 8.240 nan 0.000 0.499 137 T N 1.130 115.656 114.554 -0.045 0.000 2.904 137 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 137 T C 2.012 176.661 174.700 -0.084 0.000 1.059 137 T CA 1.856 63.921 62.100 -0.059 0.000 1.137 137 T CB -0.606 68.239 68.868 -0.039 0.000 0.879 137 T HN 0.810 nan 8.240 nan 0.000 0.467 138 T N 1.941 116.455 114.554 -0.067 0.000 2.746 138 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 138 T C 1.917 176.557 174.700 -0.100 0.000 1.039 138 T CA 1.088 63.150 62.100 -0.064 0.000 1.142 138 T CB -0.160 68.687 68.868 -0.036 0.000 0.866 138 T HN 0.499 nan 8.240 nan 0.000 0.444 139 E N 0.568 120.690 120.200 -0.130 0.000 2.047 139 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 139 E C 2.511 178.822 176.600 -0.482 0.000 0.987 139 E CA 0.622 56.892 56.400 -0.217 0.000 0.799 139 E CB -0.106 29.517 29.700 -0.128 0.000 0.752 139 E HN 0.291 nan 8.360 nan 0.000 0.449 140 R N 1.004 121.127 120.500 -0.629 0.000 2.083 140 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 140 R C 1.840 177.959 176.300 -0.302 0.000 1.137 140 R CA 1.914 57.614 56.100 -0.668 0.000 0.951 140 R CB -0.172 29.938 30.300 -0.316 0.000 0.851 140 R HN 0.195 nan 8.270 nan 0.000 0.434 141 N N -0.433 118.155 118.700 -0.187 0.000 2.084 141 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 141 N C 1.810 177.260 175.510 -0.100 0.000 1.030 141 N CA 1.035 54.021 53.050 -0.108 0.000 0.849 141 N CB -0.141 38.298 38.487 -0.079 0.000 1.012 141 N HN 0.268 nan 8.380 nan 0.000 0.423 142 A N 0.904 123.660 122.820 -0.107 0.000 1.902 142 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 142 A C 2.013 179.578 177.584 -0.033 0.000 1.181 142 A CA 1.230 53.217 52.037 -0.085 0.000 0.623 142 A CB -0.520 18.459 19.000 -0.034 0.000 0.818 142 A HN 0.107 nan 8.150 nan 0.000 0.443 143 L N 0.361 121.572 121.223 -0.020 0.000 2.156 143 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 143 L C 2.268 179.200 176.870 0.102 0.000 1.095 143 L CA 1.677 56.564 54.840 0.079 0.000 0.770 143 L CB -0.882 41.174 42.059 -0.006 0.000 0.914 143 L HN 0.593 nan 8.230 nan 0.000 0.439 144 N N -0.896 117.819 118.700 0.026 0.000 2.166 144 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 144 N C 1.527 177.110 175.510 0.122 0.000 1.019 144 N CA 1.753 54.861 53.050 0.097 0.000 0.856 144 N CB 0.232 38.742 38.487 0.039 0.000 0.993 144 N HN 0.313 nan 8.380 nan 0.000 0.426 145 T N 0.212 114.781 114.554 0.026 0.000 2.777 145 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 145 T C 1.563 176.267 174.700 0.006 0.000 1.040 145 T CA 0.882 62.966 62.100 -0.027 0.000 1.141 145 T CB -0.371 68.420 68.868 -0.127 0.000 0.868 145 T HN 0.346 nan 8.240 nan 0.000 0.444 146 H N -0.416 118.702 119.070 0.080 0.000 2.353 146 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 146 H C 2.110 177.525 175.328 0.144 0.000 1.090 146 H CA 1.430 57.535 56.048 0.095 0.000 1.327 146 H CB -0.554 29.265 29.762 0.096 0.000 1.383 146 H HN 0.403 nan 8.280 nan 0.000 0.508 147 Y N 2.274 122.674 120.300 0.167 0.000 2.145 147 Y HA -0.184 4.366 4.550 -0.000 0.000 0.286 147 Y C 2.024 177.978 175.900 0.090 0.000 1.145 147 Y CA 1.358 59.528 58.100 0.116 0.000 1.148 147 Y CB -0.335 38.177 38.460 0.086 0.000 0.981 147 Y HN 0.077 nan 8.280 nan 0.000 0.507 148 N N 0.452 119.148 118.700 -0.007 0.000 2.381 148 N HA -0.139 4.601 4.740 -0.000 0.000 0.182 148 N C 0.799 176.271 175.510 -0.063 0.000 1.025 148 N CA 0.957 53.935 53.050 -0.119 0.000 0.888 148 N CB -0.415 38.059 38.487 -0.021 0.000 0.965 148 N HN 0.411 nan 8.380 nan 0.000 0.438 149 N N 0.159 118.866 118.700 0.012 0.000 2.461 149 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 149 N C 0.922 176.467 175.510 0.058 0.000 1.134 149 N CA 0.537 53.610 53.050 0.038 0.000 0.878 149 N CB 0.206 38.737 38.487 0.073 0.000 0.972 149 N HN 0.331 nan 8.380 nan 0.000 0.456 150 G N -0.949 107.872 108.800 0.035 0.000 2.144 150 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 150 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 150 G C -0.325 174.713 174.900 0.229 0.000 0.988 150 G CA -0.050 45.112 45.100 0.103 0.000 0.659 150 G HN 0.155 nan 8.290 nan 0.000 0.522 151 V N 1.276 121.319 119.914 0.215 0.000 2.394 151 V HA 0.651 4.771 4.120 -0.000 0.000 0.282 151 V C 0.490 176.776 176.094 0.321 0.000 1.031 151 V CA -0.876 61.581 62.300 0.262 0.000 0.881 151 V CB 1.629 33.556 31.823 0.174 0.000 0.982 151 V HN 0.400 nan 8.190 nan 0.000 0.451 152 L N 7.124 128.559 121.223 0.354 0.000 2.281 152 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 152 L C -0.487 176.516 176.870 0.221 0.000 1.074 152 L CA 0.453 55.466 54.840 0.289 0.000 0.817 152 L CB 0.489 42.672 42.059 0.207 0.000 1.168 152 L HN 0.515 nan 8.230 nan 0.000 0.434 153 L N 6.879 128.211 121.223 0.182 0.000 2.307 153 L HA 0.584 4.924 4.340 -0.000 0.000 0.284 153 L C -0.583 176.340 176.870 0.089 0.000 1.023 153 L CA -0.421 54.492 54.840 0.122 0.000 0.810 153 L CB 1.457 43.582 42.059 0.111 0.000 1.231 153 L HN 0.532 nan 8.230 nan 0.000 0.423 154 I N 2.511 123.140 120.570 0.097 0.000 2.569 154 I HA 0.787 4.957 4.170 -0.000 0.000 0.290 154 I C -0.405 175.772 176.117 0.102 0.000 1.088 154 I CA -0.396 60.958 61.300 0.091 0.000 1.047 154 I CB 2.185 40.243 38.000 0.097 0.000 1.237 154 I HN 0.722 nan 8.210 nan 0.000 0.421 155 A N 3.913 126.790 122.820 0.096 0.000 2.594 155 A HA 0.925 5.245 4.320 -0.000 0.000 0.291 155 A C -0.970 176.675 177.584 0.101 0.000 1.105 155 A CA -0.686 51.416 52.037 0.108 0.000 0.694 155 A CB 1.594 20.659 19.000 0.109 0.000 1.291 155 A HN 0.785 nan 8.150 nan 0.000 0.410 156 A N 0.077 122.968 122.820 0.117 0.000 2.401 156 A HA 0.573 4.893 4.320 -0.000 0.000 0.259 156 A C 1.204 178.838 177.584 0.083 0.000 1.103 156 A CA 0.303 52.411 52.037 0.118 0.000 0.789 156 A CB 0.181 19.269 19.000 0.147 0.000 1.035 156 A HN 2.161 nan 8.150 nan 0.000 0.491 157 A N 2.000 124.870 122.820 0.084 0.000 2.066 157 A HA 0.460 4.780 4.320 -0.000 0.000 0.218 157 A C 1.413 179.025 177.584 0.045 0.000 1.157 157 A CA 1.426 53.491 52.037 0.048 0.000 0.670 157 A CB -0.865 18.173 19.000 0.062 0.000 0.804 157 A HN 2.813 nan 8.150 nan 0.000 0.453 158 G N -1.463 107.393 108.800 0.093 0.000 2.617 158 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 158 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 158 G C -0.425 174.572 174.900 0.161 0.000 1.214 158 G CA -0.224 44.929 45.100 0.089 0.000 0.796 158 G HN 0.379 nan 8.290 nan 0.000 0.654 159 N N 0.367 119.157 118.700 0.149 0.000 2.275 159 N HA 0.405 5.145 4.740 -0.000 0.000 0.236 159 N C 1.652 177.276 175.510 0.191 0.000 1.154 159 N CA 0.285 53.482 53.050 0.246 0.000 0.866 159 N CB 0.927 39.427 38.487 0.021 0.000 1.093 159 N HN 0.834 nan 8.380 nan 0.000 0.515 160 A N 0.651 123.542 122.820 0.118 0.000 2.235 160 A HA 0.250 4.570 4.320 -0.000 0.000 0.208 160 A C 1.819 179.462 177.584 0.099 0.000 1.172 160 A CA 0.623 52.707 52.037 0.078 0.000 0.786 160 A CB -0.534 18.477 19.000 0.019 0.000 0.804 160 A HN 0.343 nan 8.150 nan 0.000 0.479 161 G N 0.201 109.094 108.800 0.155 0.000 2.225 161 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.267 161 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.267 161 G C -0.178 174.835 174.900 0.188 0.000 1.024 161 G CA 0.993 46.209 45.100 0.193 0.000 0.784 161 G HN 0.983 nan 8.290 nan 0.000 0.507 162 D N -2.527 117.860 120.400 -0.022 0.000 2.837 162 D HA 0.617 5.257 4.640 -0.000 0.000 0.294 162 D C 1.008 176.764 176.300 -0.907 0.000 1.158 162 D CA 0.179 54.011 54.000 -0.280 0.000 1.073 162 D CB 0.005 40.716 40.800 -0.149 0.000 1.419 162 D HN 0.459 nan 8.370 nan 0.000 0.584 163 S N -1.364 113.808 115.700 -0.879 0.000 2.597 163 S HA 0.213 4.683 4.470 -0.000 0.000 0.224 163 S C 0.386 174.608 174.600 -0.631 0.000 0.955 163 S CA -0.110 57.557 58.200 -0.889 0.000 0.933 163 S CB -1.164 61.651 63.200 -0.641 0.000 0.788 163 S HN 0.651 nan 8.310 nan 0.000 0.488 164 S N 1.039 116.471 115.700 -0.446 0.000 2.579 164 S HA 0.384 4.854 4.470 -0.000 0.000 0.275 164 S C -0.627 173.751 174.600 -0.369 0.000 1.345 164 S CA -0.480 57.514 58.200 -0.345 0.000 1.031 164 S CB -0.266 62.837 63.200 -0.162 0.000 0.892 164 S HN 0.349 nan 8.310 nan 0.000 0.529 165 Y N 1.075 121.276 120.300 -0.164 0.000 2.327 165 Y HA 0.434 4.984 4.550 -0.000 0.000 0.336 165 Y C 0.833 176.501 175.900 -0.386 0.000 1.035 165 Y CA -0.408 57.497 58.100 -0.324 0.000 1.165 165 Y CB 1.145 39.378 38.460 -0.379 0.000 1.181 165 Y HN 0.678 nan 8.280 nan 0.000 0.494 166 S N 3.142 118.670 115.700 -0.288 0.000 2.509 166 S HA 0.580 5.050 4.470 -0.000 0.000 0.297 166 S C -1.301 173.007 174.600 -0.488 0.000 1.118 166 S CA -0.713 57.354 58.200 -0.222 0.000 1.074 166 S CB 0.514 63.665 63.200 -0.082 0.000 1.038 166 S HN 0.431 nan 8.310 nan 0.000 0.498 167 Y N 2.296 122.537 120.300 -0.099 0.000 2.509 167 Y HA 0.391 4.941 4.550 -0.000 0.000 0.341 167 Y C -1.491 174.391 175.900 -0.030 0.000 1.038 167 Y CA -2.150 55.828 58.100 -0.202 0.000 1.089 167 Y CB 1.081 39.307 38.460 -0.390 0.000 1.241 167 Y HN 0.444 nan 8.280 nan 0.000 0.468 168 P HA -0.103 nan 4.420 nan 0.000 0.237 168 P C 0.915 178.275 177.300 0.101 0.000 1.178 168 P CA 1.322 64.584 63.100 0.270 0.000 0.766 168 P CB 0.086 32.007 31.700 0.368 0.000 0.876 169 A N 0.969 123.782 122.820 -0.011 0.000 1.958 169 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 169 A C 2.264 179.770 177.584 -0.130 0.000 1.178 169 A CA 2.092 54.103 52.037 -0.042 0.000 0.642 169 A CB -1.522 17.454 19.000 -0.040 0.000 0.816 169 A HN 0.260 nan 8.150 nan 0.000 0.453 170 S N -1.431 114.033 115.700 -0.393 0.000 2.650 170 S HA 0.176 4.646 4.470 -0.000 0.000 0.219 170 S C -0.073 174.374 174.600 -0.254 0.000 0.960 170 S CA -0.210 57.710 58.200 -0.466 0.000 0.925 170 S CB -0.403 62.233 63.200 -0.941 0.000 0.775 170 S HN 0.563 nan 8.310 nan 0.000 0.525 171 Y N 1.653 121.977 120.300 0.040 0.000 2.301 171 Y HA 0.138 4.688 4.550 -0.000 0.000 0.325 171 Y C 1.338 177.224 175.900 -0.024 0.000 1.203 171 Y CA -0.959 57.182 58.100 0.068 0.000 1.255 171 Y CB 0.559 39.076 38.460 0.095 0.000 1.232 171 Y HN 0.042 nan 8.280 nan 0.000 0.501 172 D N 0.212 120.694 120.400 0.138 0.000 2.263 172 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 172 D C 1.819 178.057 176.300 -0.104 0.000 0.971 172 D CA 1.645 55.656 54.000 0.018 0.000 0.867 172 D CB -0.079 40.737 40.800 0.027 0.000 0.929 172 D HN 0.546 nan 8.370 nan 0.000 0.492 173 S N -0.529 115.109 115.700 -0.104 0.000 2.603 173 S HA 0.090 4.560 4.470 -0.000 0.000 0.220 173 S C 0.696 175.078 174.600 -0.364 0.000 0.967 173 S CA -0.298 57.688 58.200 -0.357 0.000 0.920 173 S CB 0.291 63.433 63.200 -0.097 0.000 0.773 173 S HN -0.102 nan 8.310 nan 0.000 0.529 174 V N 2.284 122.121 119.914 -0.129 0.000 2.604 174 V HA 0.429 4.549 4.120 -0.000 0.000 0.305 174 V C -0.193 175.877 176.094 -0.039 0.000 1.043 174 V CA -0.904 61.369 62.300 -0.044 0.000 0.888 174 V CB 1.787 33.662 31.823 0.087 0.000 0.995 174 V HN 0.407 nan 8.190 nan 0.000 0.429 175 M N 3.038 122.629 119.600 -0.015 0.000 2.184 175 M HA 0.245 4.725 4.480 -0.000 0.000 0.351 175 M C 0.355 176.677 176.300 0.035 0.000 1.395 175 M CA 0.418 55.726 55.300 0.013 0.000 1.117 175 M CB 1.083 33.703 32.600 0.033 0.000 1.708 175 M HN 0.678 nan 8.290 nan 0.000 0.468 176 S N 3.672 119.390 115.700 0.030 0.000 2.430 176 S HA 0.444 4.914 4.470 -0.000 0.000 0.289 176 S C -0.538 174.095 174.600 0.055 0.000 1.143 176 S CA -0.778 57.441 58.200 0.032 0.000 1.067 176 S CB 0.351 63.556 63.200 0.009 0.000 0.964 176 S HN 0.488 nan 8.310 nan 0.000 0.485 177 V N 4.951 124.909 119.914 0.074 0.000 2.427 177 V HA 0.721 4.841 4.120 -0.000 0.000 0.286 177 V C 0.650 176.808 176.094 0.108 0.000 1.034 177 V CA -0.652 61.705 62.300 0.094 0.000 0.893 177 V CB 0.962 32.851 31.823 0.110 0.000 0.982 177 V HN 1.017 nan 8.190 nan 0.000 0.452 178 A N 3.918 126.803 122.820 0.108 0.000 2.269 178 A HA 0.950 5.270 4.320 -0.000 0.000 0.319 178 A C 0.090 177.745 177.584 0.119 0.000 1.110 178 A CA -0.281 51.829 52.037 0.123 0.000 0.847 178 A CB 1.242 20.322 19.000 0.133 0.000 1.161 178 A HN 1.260 nan 8.150 nan 0.000 0.497 179 A N 0.046 122.916 122.820 0.084 0.000 2.337 179 A HA 0.715 5.035 4.320 -0.000 0.000 0.329 179 A C -0.160 177.408 177.584 -0.026 0.000 1.146 179 A CA -0.060 52.013 52.037 0.060 0.000 0.800 179 A CB 0.780 19.861 19.000 0.135 0.000 1.220 179 A HN 2.156 nan 8.150 nan 0.000 0.472 180 V N -0.181 119.767 119.914 0.056 0.000 3.102 180 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 180 V C -0.644 175.529 176.094 0.132 0.000 1.135 180 V CA -0.779 61.553 62.300 0.053 0.000 1.022 180 V CB 1.836 33.725 31.823 0.111 0.000 1.056 180 V HN 0.967 nan 8.190 nan 0.000 0.436 181 D N 0.714 121.126 120.400 0.020 0.000 2.539 181 D HA 0.324 4.964 4.640 -0.000 0.000 0.276 181 D C 1.242 177.220 176.300 -0.537 0.000 1.206 181 D CA 0.082 54.020 54.000 -0.104 0.000 1.081 181 D CB 0.869 41.577 40.800 -0.155 0.000 1.142 181 D HN 0.864 nan 8.370 nan 0.000 0.595 182 S N -1.495 113.448 115.700 -1.261 0.000 2.595 182 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 182 S C 0.885 175.154 174.600 -0.552 0.000 0.974 182 S CA 0.598 57.747 58.200 -1.752 0.000 0.942 182 S CB -0.772 61.204 63.200 -2.040 0.000 0.766 182 S HN 0.532 nan 8.310 nan 0.000 0.536 183 N N 0.701 119.242 118.700 -0.264 0.000 2.187 183 N HA 0.317 5.057 4.740 -0.000 0.000 0.212 183 N C 0.358 175.894 175.510 0.044 0.000 1.152 183 N CA -0.073 52.955 53.050 -0.037 0.000 0.872 183 N CB -0.261 38.188 38.487 -0.065 0.000 1.025 183 N HN 0.393 nan 8.380 nan 0.000 0.514 184 L N -0.559 120.698 121.223 0.056 0.000 4.351 184 L HA -0.220 4.120 4.340 -0.000 0.000 0.410 184 L C -1.052 175.853 176.870 0.058 0.000 1.150 184 L CA 0.449 55.357 54.840 0.114 0.000 0.961 184 L CB -1.476 40.676 42.059 0.156 0.000 2.130 184 L HN 0.263 nan 8.230 nan 0.000 0.787 185 D N 0.065 120.470 120.400 0.008 0.000 2.302 185 D HA 0.115 4.755 4.640 -0.000 0.000 0.248 185 D C 0.506 176.810 176.300 0.005 0.000 1.094 185 D CA -0.171 53.831 54.000 0.003 0.000 0.897 185 D CB 0.836 41.617 40.800 -0.033 0.000 1.200 185 D HN 0.168 nan 8.370 nan 0.000 0.429 186 H N 0.946 119.972 119.070 -0.073 0.000 3.034 186 H HA 0.137 4.693 4.556 -0.000 0.000 0.324 186 H C -0.654 174.572 175.328 -0.171 0.000 1.015 186 H CA -0.454 55.530 56.048 -0.106 0.000 1.429 186 H CB 0.666 30.364 29.762 -0.107 0.000 1.429 186 H HN 0.345 nan 8.280 nan 0.000 0.585 187 A N 4.327 126.692 122.820 -0.758 0.000 2.454 187 A HA 0.339 4.659 4.320 -0.000 0.000 0.260 187 A C 1.420 178.360 177.584 -1.074 0.000 1.106 187 A CA 0.196 51.699 52.037 -0.890 0.000 0.780 187 A CB -0.055 18.198 19.000 -1.246 0.000 1.044 187 A HN 0.959 nan 8.150 nan 0.000 0.498 188 A N 2.719 125.195 122.820 -0.573 0.000 2.032 188 A HA -0.097 4.223 4.320 -0.000 0.000 0.221 188 A C 1.559 179.035 177.584 -0.181 0.000 1.165 188 A CA 1.988 53.850 52.037 -0.291 0.000 0.645 188 A CB -0.851 18.093 19.000 -0.094 0.000 0.807 188 A HN 1.464 nan 8.150 nan 0.000 0.453 189 F N -1.359 118.562 119.950 -0.049 0.000 2.615 189 F HA 0.314 4.841 4.527 -0.000 0.000 0.297 189 F C 1.068 176.890 175.800 0.037 0.000 1.124 189 F CA 0.244 58.259 58.000 0.025 0.000 1.451 189 F CB -0.674 38.358 39.000 0.054 0.000 1.103 189 F HN 0.017 nan 8.300 nan 0.000 0.569 190 S N 1.911 117.405 115.700 -0.343 0.000 2.509 190 S HA 0.032 4.502 4.470 -0.000 0.000 0.287 190 S C 0.134 174.867 174.600 0.222 0.000 1.248 190 S CA -0.417 57.768 58.200 -0.025 0.000 1.089 190 S CB -0.119 62.940 63.200 -0.235 0.000 0.900 190 S HN 0.452 nan 8.310 nan 0.000 0.496 191 Q N 3.123 123.029 119.800 0.177 0.000 2.315 191 Q HA 0.107 4.447 4.340 -0.000 0.000 0.289 191 Q C -0.905 175.152 176.000 0.095 0.000 1.044 191 Q CA 0.406 56.243 55.803 0.058 0.000 0.920 191 Q CB 0.304 29.011 28.738 -0.053 0.000 1.214 191 Q HN 0.743 nan 8.270 nan 0.000 0.392 192 Y N -0.560 119.731 120.300 -0.015 0.000 2.334 192 Y HA 0.657 5.207 4.550 -0.000 0.000 0.336 192 Y C -0.146 175.681 175.900 -0.122 0.000 0.960 192 Y CA -1.051 57.008 58.100 -0.068 0.000 1.164 192 Y CB 0.918 39.312 38.460 -0.110 0.000 1.155 192 Y HN 0.522 nan 8.280 nan 0.000 0.478 193 T N -1.513 112.998 114.554 -0.071 0.000 2.812 193 T HA 0.281 4.631 4.350 -0.000 0.000 0.294 193 T C -0.141 174.557 174.700 -0.003 0.000 1.159 193 T CA -0.639 61.383 62.100 -0.129 0.000 1.008 193 T CB 1.444 70.198 68.868 -0.189 0.000 1.289 193 T HN 0.559 nan 8.240 nan 0.000 0.514 194 D N -0.382 120.056 120.400 0.063 0.000 2.352 194 D HA 0.038 4.678 4.640 -0.000 0.000 0.232 194 D C 1.314 177.655 176.300 0.067 0.000 1.055 194 D CA 0.314 54.352 54.000 0.063 0.000 0.891 194 D CB 0.048 40.898 40.800 0.084 0.000 0.897 194 D HN 0.403 nan 8.370 nan 0.000 0.529 195 Q N 0.074 119.935 119.800 0.101 0.000 2.396 195 Q HA 0.135 4.475 4.340 -0.000 0.000 0.220 195 Q C 0.422 176.432 176.000 0.015 0.000 0.900 195 Q CA 0.036 55.870 55.803 0.052 0.000 0.925 195 Q CB 0.779 29.548 28.738 0.052 0.000 1.065 195 Q HN 0.204 nan 8.270 nan 0.000 0.535 196 V N 2.652 122.572 119.914 0.010 0.000 2.625 196 V HA -0.150 3.970 4.120 -0.000 0.000 0.305 196 V C 1.401 177.477 176.094 -0.031 0.000 1.055 196 V CA 1.086 63.386 62.300 0.001 0.000 1.209 196 V CB 0.481 32.308 31.823 0.006 0.000 0.877 196 V HN 0.347 nan 8.190 nan 0.000 0.489 197 E N 4.035 124.240 120.200 0.008 0.000 2.332 197 E HA 0.383 4.733 4.350 -0.000 0.000 0.202 197 E C 0.268 176.929 176.600 0.102 0.000 0.877 197 E CA -0.071 56.353 56.400 0.041 0.000 0.979 197 E CB 0.850 30.607 29.700 0.095 0.000 0.969 197 E HN 0.678 nan 8.360 nan 0.000 0.495 198 I N -0.268 120.356 120.570 0.090 0.000 3.093 198 I HA 0.274 4.444 4.170 -0.000 0.000 0.308 198 I C -1.503 174.670 176.117 0.093 0.000 1.303 198 I CA -0.621 60.745 61.300 0.109 0.000 0.975 198 I CB 2.367 40.437 38.000 0.116 0.000 1.286 198 I HN -0.125 nan 8.210 nan 0.000 0.459 199 S N 1.714 117.473 115.700 0.097 0.000 2.607 199 S HA 0.953 5.423 4.470 -0.000 0.000 0.303 199 S C -0.456 174.203 174.600 0.098 0.000 1.086 199 S CA -0.480 57.780 58.200 0.100 0.000 0.995 199 S CB 1.875 65.136 63.200 0.103 0.000 1.084 199 S HN 0.919 nan 8.310 nan 0.000 0.507 200 G N 0.679 109.531 108.800 0.087 0.000 2.684 200 G HA2 0.627 4.587 3.960 -0.000 0.000 0.290 200 G HA3 0.627 4.587 3.960 -0.000 0.000 0.290 200 G C -3.529 171.345 174.900 -0.043 0.000 1.425 200 G CA -1.564 43.556 45.100 0.033 0.000 0.822 200 G HN 0.373 nan 8.290 nan 0.000 0.482 201 P HA 0.216 nan 4.420 nan 0.000 0.262 201 P C 0.649 177.843 177.300 -0.178 0.000 1.199 201 P CA 0.673 63.499 63.100 -0.457 0.000 0.763 201 P CB 1.049 31.835 31.700 -1.523 0.000 0.790 202 G N 2.018 110.904 108.800 0.143 0.000 3.815 202 G HA2 0.109 4.069 3.960 -0.000 0.000 0.265 202 G HA3 0.109 4.069 3.960 -0.000 0.000 0.265 202 G C -0.193 174.938 174.900 0.386 0.000 1.026 202 G CA 0.123 45.378 45.100 0.258 0.000 0.868 202 G HN 0.420 nan 8.290 nan 0.000 0.476 203 E N 0.680 121.124 120.200 0.407 0.000 2.199 203 E HA 0.578 4.928 4.350 -0.000 0.000 0.265 203 E C 0.272 177.128 176.600 0.426 0.000 0.882 203 E CA 0.002 56.626 56.400 0.373 0.000 0.759 203 E CB 1.372 31.217 29.700 0.242 0.000 1.148 203 E HN 0.904 nan 8.360 nan 0.000 0.412 204 A N 4.921 127.952 122.820 0.352 0.000 2.578 204 A HA -0.137 4.183 4.320 -0.000 0.000 0.298 204 A C -0.470 177.515 177.584 0.667 0.000 1.472 204 A CA 0.593 52.901 52.037 0.451 0.000 0.734 204 A CB -1.840 17.314 19.000 0.256 0.000 1.091 204 A HN 0.403 nan 8.150 nan 0.000 0.426 205 I N 1.007 121.854 120.570 0.462 0.000 2.304 205 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 205 I C 0.291 176.460 176.117 0.087 0.000 1.018 205 I CA -0.724 60.723 61.300 0.245 0.000 1.260 205 I CB 1.074 39.221 38.000 0.245 0.000 1.390 205 I HN 0.539 nan 8.210 nan 0.000 0.475 206 L N 6.731 127.776 121.223 -0.296 0.000 2.305 206 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 206 L C 0.125 176.724 176.870 -0.451 0.000 1.085 206 L CA 0.921 55.372 54.840 -0.649 0.000 0.813 206 L CB 1.185 42.672 42.059 -0.953 0.000 1.157 206 L HN 0.710 nan 8.230 nan 0.000 0.436 207 S N 1.561 116.927 115.700 -0.557 0.000 2.672 207 S HA 0.617 5.087 4.470 -0.000 0.000 0.271 207 S C -0.862 173.464 174.600 -0.456 0.000 1.171 207 S CA -0.093 57.696 58.200 -0.685 0.000 0.817 207 S CB 0.977 63.369 63.200 -1.347 0.000 1.150 207 S HN 0.938 nan 8.310 nan 0.000 0.478 208 T N 0.388 114.675 114.554 -0.446 0.000 2.918 208 T HA 0.599 4.949 4.350 -0.000 0.000 0.302 208 T C 0.341 174.764 174.700 -0.461 0.000 1.045 208 T CA -0.020 61.761 62.100 -0.531 0.000 1.114 208 T CB 0.349 68.697 68.868 -0.867 0.000 0.965 208 T HN 1.349 nan 8.240 nan 0.000 0.540 209 V N -1.109 118.603 119.914 -0.337 0.000 3.160 209 V HA 0.671 4.791 4.120 -0.000 0.000 0.310 209 V C 0.117 176.168 176.094 -0.073 0.000 1.181 209 V CA -1.373 60.833 62.300 -0.157 0.000 1.047 209 V CB 1.201 32.995 31.823 -0.048 0.000 1.068 209 V HN 0.984 nan 8.190 nan 0.000 0.441 210 T N 1.974 116.518 114.554 -0.017 0.000 2.891 210 T HA 0.179 4.529 4.350 -0.000 0.000 0.296 210 T C 0.373 175.073 174.700 -0.000 0.000 1.025 210 T CA 0.148 62.252 62.100 0.007 0.000 1.149 210 T CB 0.203 69.084 68.868 0.022 0.000 1.007 210 T HN 0.849 nan 8.240 nan 0.000 0.528 211 V N 4.200 124.107 119.914 -0.013 0.000 2.644 211 V HA 0.187 4.307 4.120 -0.000 0.000 0.303 211 V C 1.743 177.805 176.094 -0.054 0.000 1.058 211 V CA 1.501 63.750 62.300 -0.084 0.000 1.228 211 V CB -0.451 31.301 31.823 -0.118 0.000 0.861 211 V HN 1.293 nan 8.190 nan 0.000 0.484 212 G N 3.662 112.427 108.800 -0.058 0.000 2.205 212 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.261 212 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.261 212 G C 0.523 175.428 174.900 0.008 0.000 0.980 212 G CA 0.445 45.532 45.100 -0.021 0.000 0.632 212 G HN 0.731 nan 8.290 nan 0.000 0.533 213 E N 0.414 120.624 120.200 0.016 0.000 2.472 213 E HA 0.311 4.661 4.350 -0.000 0.000 0.196 213 E C 1.765 178.409 176.600 0.074 0.000 1.033 213 E CA 0.144 56.572 56.400 0.046 0.000 0.886 213 E CB 0.471 30.203 29.700 0.053 0.000 0.944 213 E HN 0.530 nan 8.360 nan 0.000 0.492 214 G N 1.199 110.039 108.800 0.067 0.000 2.588 214 G HA2 0.345 4.305 3.960 -0.000 0.000 0.281 214 G HA3 0.345 4.305 3.960 -0.000 0.000 0.281 214 G C -0.372 174.607 174.900 0.132 0.000 1.236 214 G CA -0.404 44.762 45.100 0.110 0.000 0.969 214 G HN -0.004 nan 8.290 nan 0.000 0.504 215 R N -0.673 119.933 120.500 0.176 0.000 2.584 215 R HA 0.574 4.914 4.340 -0.000 0.000 0.276 215 R C -1.549 174.893 176.300 0.236 0.000 1.046 215 R CA -0.586 55.620 56.100 0.177 0.000 0.906 215 R CB 1.405 31.800 30.300 0.157 0.000 1.215 215 R HN 0.458 nan 8.270 nan 0.000 0.449 216 L N 1.795 123.159 121.223 0.234 0.000 2.359 216 L HA 0.852 5.192 4.340 -0.000 0.000 0.256 216 L C -0.776 176.239 176.870 0.243 0.000 1.026 216 L CA -1.058 53.969 54.840 0.312 0.000 0.828 216 L CB 2.295 44.597 42.059 0.406 0.000 1.406 216 L HN 0.799 nan 8.230 nan 0.000 0.413 217 A N 0.256 123.229 122.820 0.254 0.000 2.430 217 A HA 0.847 5.167 4.320 -0.000 0.000 0.300 217 A C -1.811 175.912 177.584 0.232 0.000 1.124 217 A CA -0.318 51.815 52.037 0.161 0.000 0.766 217 A CB 1.988 21.014 19.000 0.044 0.000 1.328 217 A HN 0.657 nan 8.150 nan 0.000 0.424 218 D N -0.622 119.879 120.400 0.169 0.000 2.654 218 D HA 0.595 5.235 4.640 -0.000 0.000 0.231 218 D C -1.628 174.754 176.300 0.136 0.000 1.239 218 D CA -0.133 53.994 54.000 0.213 0.000 0.790 218 D CB 1.439 42.373 40.800 0.224 0.000 1.480 218 D HN 0.413 nan 8.370 nan 0.000 0.442 219 I N 1.462 122.136 120.570 0.174 0.000 2.499 219 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 219 I C -0.631 175.653 176.117 0.278 0.000 1.048 219 I CA -0.450 60.940 61.300 0.149 0.000 1.062 219 I CB 2.395 40.414 38.000 0.031 0.000 1.238 219 I HN 0.148 nan 8.210 nan 0.000 0.426 220 T N 6.912 121.587 114.554 0.201 0.000 2.879 220 T HA 0.673 5.023 4.350 -0.000 0.000 0.290 220 T C -0.485 174.316 174.700 0.169 0.000 0.993 220 T CA -0.387 61.824 62.100 0.185 0.000 0.975 220 T CB 1.534 70.464 68.868 0.103 0.000 0.981 220 T HN 0.272 nan 8.240 nan 0.000 0.439 221 I N 1.507 122.187 120.570 0.182 0.000 2.569 221 I HA 0.504 4.674 4.170 -0.000 0.000 0.290 221 I C 0.927 177.086 176.117 0.071 0.000 1.088 221 I CA -0.779 60.607 61.300 0.144 0.000 1.047 221 I CB 2.009 40.149 38.000 0.233 0.000 1.237 221 I HN 0.896 nan 8.210 nan 0.000 0.421 222 G N 3.910 112.738 108.800 0.047 0.000 2.225 222 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.267 222 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.267 222 G C 1.011 175.916 174.900 0.008 0.000 1.024 222 G CA 0.654 45.767 45.100 0.022 0.000 0.784 222 G HN 1.669 nan 8.290 nan 0.000 0.507 223 G N -2.323 106.487 108.800 0.015 0.000 2.184 223 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 223 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 223 G C 0.274 175.170 174.900 -0.008 0.000 0.975 223 G CA 1.140 46.243 45.100 0.006 0.000 0.642 223 G HN 1.118 nan 8.290 nan 0.000 0.536 224 Q N 0.346 120.131 119.800 -0.024 0.000 2.256 224 Q HA 0.617 4.957 4.340 -0.000 0.000 0.257 224 Q C -0.042 175.911 176.000 -0.078 0.000 0.936 224 Q CA -0.112 55.648 55.803 -0.072 0.000 0.903 224 Q CB 1.825 30.485 28.738 -0.131 0.000 1.263 224 Q HN 0.316 nan 8.270 nan 0.000 0.440 225 S N 1.378 117.041 115.700 -0.062 0.000 2.541 225 S HA 0.354 4.824 4.470 -0.000 0.000 0.283 225 S C -0.214 174.364 174.600 -0.036 0.000 1.196 225 S CA -0.296 57.918 58.200 0.023 0.000 1.062 225 S CB 0.379 63.629 63.200 0.083 0.000 1.009 225 S HN 0.540 nan 8.310 nan 0.000 0.502 226 Y N 3.565 123.922 120.300 0.095 0.000 2.468 226 Y HA 0.208 4.758 4.550 -0.000 0.000 0.268 226 Y C 1.207 177.169 175.900 0.104 0.000 1.177 226 Y CA -0.316 57.828 58.100 0.074 0.000 1.265 226 Y CB -0.219 38.258 38.460 0.029 0.000 1.103 226 Y HN 0.879 nan 8.280 nan 0.000 0.522 227 F N 0.646 120.678 119.950 0.136 0.000 2.087 227 F HA -0.368 4.159 4.527 -0.000 0.000 0.299 227 F C 2.261 178.132 175.800 0.118 0.000 1.100 227 F CA 2.121 60.190 58.000 0.115 0.000 1.226 227 F CB -0.309 38.733 39.000 0.069 0.000 0.983 227 F HN -0.122 nan 8.300 nan 0.000 0.479 228 S N -0.021 115.841 115.700 0.270 0.000 2.474 228 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 228 S C 1.384 176.040 174.600 0.093 0.000 0.997 228 S CA 1.106 59.408 58.200 0.170 0.000 0.949 228 S CB -0.530 62.772 63.200 0.170 0.000 0.766 228 S HN 0.475 nan 8.310 nan 0.000 0.517 229 N N 0.935 119.692 118.700 0.095 0.000 2.409 229 N HA 0.189 4.929 4.740 -0.000 0.000 0.179 229 N C 0.647 176.183 175.510 0.042 0.000 1.032 229 N CA 0.824 53.930 53.050 0.093 0.000 0.898 229 N CB 0.095 38.675 38.487 0.154 0.000 0.971 229 N HN 0.416 nan 8.380 nan 0.000 0.441 230 G N -0.411 108.376 108.800 -0.022 0.000 3.238 230 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.684 230 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.684 230 G C -1.254 173.543 174.900 -0.173 0.000 1.156 230 G CA -0.708 44.358 45.100 -0.057 0.000 1.048 230 G HN 0.065 nan 8.290 nan 0.000 0.462 231 V N 2.751 122.500 119.914 -0.274 0.000 2.443 231 V HA 0.618 4.738 4.120 -0.000 0.000 0.293 231 V C 0.446 176.301 176.094 -0.397 0.000 1.021 231 V CA -0.961 61.186 62.300 -0.255 0.000 0.848 231 V CB 1.863 33.620 31.823 -0.109 0.000 0.998 231 V HN 0.837 nan 8.190 nan 0.000 0.424 232 V N 7.669 127.311 119.914 -0.454 0.000 2.370 232 V HA 0.396 4.516 4.120 -0.000 0.000 0.279 232 V C -2.012 173.936 176.094 -0.244 0.000 1.029 232 V CA -1.861 60.150 62.300 -0.481 0.000 0.870 232 V CB 1.980 33.503 31.823 -0.500 0.000 0.984 232 V HN 0.703 nan 8.190 nan 0.000 0.451 233 P HA 0.107 nan 4.420 nan 0.000 0.276 233 P C -0.431 176.871 177.300 0.003 0.000 1.235 233 P CA -0.266 62.813 63.100 -0.035 0.000 0.772 233 P CB 0.438 32.174 31.700 0.059 0.000 0.871 234 H N 2.337 121.393 119.070 -0.023 0.000 3.070 234 H HA -0.031 4.525 4.556 -0.000 0.000 0.313 234 H C 0.911 176.230 175.328 -0.016 0.000 0.997 234 H CA 0.692 56.722 56.048 -0.029 0.000 1.438 234 H CB -0.354 29.396 29.762 -0.020 0.000 1.455 234 H HN 0.467 nan 8.280 nan 0.000 0.575 235 N N 4.205 122.967 118.700 0.105 0.000 2.895 235 N HA -0.006 4.734 4.740 -0.000 0.000 0.277 235 N C 0.044 175.584 175.510 0.050 0.000 1.185 235 N CA -0.340 52.734 53.050 0.039 0.000 1.106 235 N CB 0.219 38.657 38.487 -0.083 0.000 1.422 235 N HN 0.407 nan 8.380 nan 0.000 0.521 236 R N 3.621 124.153 120.500 0.053 0.000 2.389 236 R HA 0.264 4.604 4.340 -0.000 0.000 0.295 236 R C -0.860 175.459 176.300 0.032 0.000 1.075 236 R CA -0.032 56.081 56.100 0.020 0.000 1.005 236 R CB 0.579 30.896 30.300 0.028 0.000 0.987 236 R HN 0.447 nan 8.270 nan 0.000 0.452 237 L N 3.600 124.821 121.223 -0.003 0.000 2.386 237 L HA 0.494 4.834 4.340 -0.000 0.000 0.271 237 L C -0.255 176.671 176.870 0.094 0.000 0.993 237 L CA -0.924 53.927 54.840 0.018 0.000 0.819 237 L CB 2.317 44.317 42.059 -0.099 0.000 1.294 237 L HN 0.795 nan 8.230 nan 0.000 0.414 238 T N -0.879 113.802 114.554 0.210 0.000 2.907 238 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 238 T C -2.878 171.964 174.700 0.236 0.000 1.043 238 T CA -2.353 59.898 62.100 0.252 0.000 1.003 238 T CB 1.971 70.900 68.868 0.102 0.000 1.084 238 T HN 0.287 nan 8.240 nan 0.000 0.483 239 P HA 0.140 nan 4.420 nan 0.000 0.263 239 P C -0.489 176.677 177.300 -0.223 0.000 1.175 239 P CA 0.177 63.008 63.100 -0.449 0.000 0.761 239 P CB 0.568 32.053 31.700 -0.358 0.000 0.794 240 S N 2.305 117.853 115.700 -0.252 0.000 2.775 240 S HA 0.549 5.019 4.470 -0.000 0.000 0.277 240 S C 0.635 175.155 174.600 -0.134 0.000 1.156 240 S CA 0.439 58.561 58.200 -0.131 0.000 1.081 240 S CB 0.075 63.233 63.200 -0.070 0.000 1.054 240 S HN 0.905 nan 8.310 nan 0.000 0.482 241 G N 3.978 112.713 108.800 -0.109 0.000 2.620 241 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.315 241 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.315 241 G C 0.956 175.787 174.900 -0.115 0.000 1.179 241 G CA 0.977 46.022 45.100 -0.091 0.000 0.971 241 G HN 1.362 nan 8.290 nan 0.000 0.544 242 T N -0.235 114.255 114.554 -0.106 0.000 3.054 242 T HA 0.603 4.953 4.350 -0.000 0.000 0.255 242 T C 0.940 175.559 174.700 -0.135 0.000 1.035 242 T CA 1.577 63.612 62.100 -0.107 0.000 0.941 242 T CB -0.371 68.458 68.868 -0.066 0.000 1.026 242 T HN 1.012 nan 8.240 nan 0.000 0.533 243 S N -1.179 114.418 115.700 -0.172 0.000 3.923 243 S HA 0.722 5.192 4.470 -0.000 0.000 0.280 243 S C -1.939 172.458 174.600 -0.340 0.000 1.070 243 S CA -0.567 57.532 58.200 -0.169 0.000 1.300 243 S CB 0.598 63.763 63.200 -0.059 0.000 1.322 243 S HN 0.240 nan 8.310 nan 0.000 0.762 244 Y N 0.038 120.282 120.300 -0.094 0.000 2.545 244 Y HA 0.772 5.322 4.550 0.000 0.000 0.348 244 Y C -0.045 175.802 175.900 -0.089 0.000 1.002 244 Y CA -0.403 57.638 58.100 -0.098 0.000 1.039 244 Y CB 2.136 40.510 38.460 -0.143 0.000 1.271 244 Y HN 0.807 nan 8.280 nan 0.000 0.467 245 A N 3.069 125.955 122.820 0.110 0.000 2.475 245 A HA 0.744 5.064 4.320 -0.000 0.000 0.301 245 A C -3.019 174.602 177.584 0.061 0.000 1.059 245 A CA -2.072 49.995 52.037 0.051 0.000 0.710 245 A CB 1.446 20.457 19.000 0.019 0.000 1.288 245 A HN 0.397 nan 8.150 nan 0.000 0.408 246 P HA 0.289 nan 4.420 nan 0.000 0.267 246 P C -0.309 177.020 177.300 0.048 0.000 1.205 246 P CA 0.405 63.536 63.100 0.052 0.000 0.765 246 P CB 1.092 32.822 31.700 0.050 0.000 0.828 247 A N 5.398 128.249 122.820 0.051 0.000 3.317 247 A HA 0.424 4.744 4.320 -0.000 0.000 0.307 247 A C -2.350 175.262 177.584 0.047 0.000 1.003 247 A CA -1.377 50.687 52.037 0.045 0.000 0.882 247 A CB 0.379 19.406 19.000 0.045 0.000 1.136 247 A HN 0.355 nan 8.150 nan 0.000 0.488 248 P HA 0.172 nan 4.420 nan 0.000 0.268 248 P C -0.453 176.878 177.300 0.053 0.000 1.205 248 P CA 0.139 63.274 63.100 0.058 0.000 0.771 248 P CB 1.116 32.854 31.700 0.063 0.000 0.858 249 I N 3.816 124.421 120.570 0.057 0.000 2.307 249 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 249 I C 0.379 176.526 176.117 0.051 0.000 1.054 249 I CA -0.334 60.995 61.300 0.049 0.000 1.218 249 I CB -0.293 37.736 38.000 0.049 0.000 1.398 249 I HN 0.208 nan 8.210 nan 0.000 0.475 250 N N 6.540 125.269 118.700 0.047 0.000 2.546 250 N HA 0.682 5.422 4.740 -0.000 0.000 0.238 250 N C -0.281 175.254 175.510 0.042 0.000 0.984 250 N CA -0.085 52.994 53.050 0.049 0.000 0.935 250 N CB 2.111 40.629 38.487 0.052 0.000 1.122 250 N HN 0.718 nan 8.380 nan 0.000 0.510 251 A N 0.685 123.530 122.820 0.041 0.000 2.564 251 A HA 0.695 5.015 4.320 -0.000 0.000 0.291 251 A C -1.153 176.452 177.584 0.035 0.000 1.102 251 A CA -0.636 51.421 52.037 0.034 0.000 0.660 251 A CB 1.333 20.350 19.000 0.029 0.000 1.283 251 A HN 0.282 nan 8.150 nan 0.000 0.430 252 S N -0.755 114.963 115.700 0.030 0.000 2.500 252 S HA 0.781 5.251 4.470 -0.000 0.000 0.301 252 S C -0.546 174.069 174.600 0.025 0.000 1.092 252 S CA 0.249 58.468 58.200 0.030 0.000 1.030 252 S CB 1.226 64.444 63.200 0.031 0.000 1.031 252 S HN 2.195 nan 8.310 nan 0.000 0.483 253 A N 3.366 126.200 122.820 0.023 0.000 2.371 253 A HA 0.806 5.126 4.320 -0.000 0.000 0.311 253 A C -0.546 177.050 177.584 0.019 0.000 1.068 253 A CA -0.632 51.416 52.037 0.019 0.000 0.744 253 A CB 1.750 20.760 19.000 0.016 0.000 1.239 253 A HN 0.686 nan 8.150 nan 0.000 0.435 254 T N 0.735 115.299 114.554 0.018 0.000 2.848 254 T HA 0.805 5.155 4.350 -0.000 0.000 0.285 254 T C -0.008 174.701 174.700 0.015 0.000 0.995 254 T CA 0.062 62.174 62.100 0.018 0.000 0.970 254 T CB 1.760 70.640 68.868 0.020 0.000 0.976 254 T HN 1.678 nan 8.240 nan 0.000 0.441 255 G N 0.835 109.643 108.800 0.014 0.000 2.466 255 G HA2 0.627 4.587 3.960 -0.000 0.000 0.291 255 G HA3 0.627 4.587 3.960 -0.000 0.000 0.291 255 G C -1.157 173.750 174.900 0.012 0.000 1.460 255 G CA -0.445 44.662 45.100 0.012 0.000 0.791 255 G HN 0.894 nan 8.290 nan 0.000 0.505 256 A N -0.318 122.508 122.820 0.011 0.000 2.498 256 A HA 0.518 4.838 4.320 -0.000 0.000 0.239 256 A C 0.222 177.811 177.584 0.007 0.000 1.068 256 A CA -0.006 52.037 52.037 0.010 0.000 0.766 256 A CB 0.564 19.570 19.000 0.010 0.000 1.003 256 A HN 1.548 nan 8.150 nan 0.000 0.497 257 L N 2.196 123.421 121.223 0.005 0.000 2.367 257 L HA 0.568 4.908 4.340 -0.000 0.000 0.275 257 L C 0.331 177.202 176.870 0.002 0.000 1.129 257 L CA 0.872 55.711 54.840 -0.002 0.000 0.839 257 L CB 0.741 42.793 42.059 -0.013 0.000 1.133 257 L HN 0.906 nan 8.230 nan 0.000 0.453 258 A N 4.607 127.430 122.820 0.006 0.000 2.486 258 A HA 0.607 4.927 4.320 -0.000 0.000 0.300 258 A C -1.091 176.508 177.584 0.025 0.000 1.048 258 A CA -0.662 51.384 52.037 0.014 0.000 0.696 258 A CB 1.139 20.148 19.000 0.015 0.000 1.278 258 A HN 0.706 nan 8.150 nan 0.000 0.405 259 E N 0.898 121.120 120.200 0.037 0.000 2.179 259 E HA 0.445 4.795 4.350 -0.000 0.000 0.275 259 E C -0.764 175.880 176.600 0.072 0.000 0.945 259 E CA -0.542 55.898 56.400 0.066 0.000 0.792 259 E CB 1.375 31.123 29.700 0.080 0.000 1.125 259 E HN 0.770 nan 8.360 nan 0.000 0.397 260 c N 4.470 123.124 118.600 0.090 0.000 2.394 260 c HA 0.348 4.918 4.570 -0.000 0.000 0.362 260 c C 0.231 174.399 174.090 0.129 0.000 1.268 260 c CA -0.257 56.131 56.329 0.099 0.000 1.828 260 c CB -0.594 41.972 42.510 0.092 0.000 2.442 260 c HN 0.736 nan 8.230 nan 0.000 0.549 261 T N 5.954 120.574 114.554 0.109 0.000 2.834 261 T HA 0.307 4.657 4.350 -0.000 0.000 0.298 261 T C -0.022 174.730 174.700 0.087 0.000 0.966 261 T CA -0.031 62.121 62.100 0.086 0.000 1.141 261 T CB 0.537 69.438 68.868 0.056 0.000 0.905 261 T HN 0.600 nan 8.240 nan 0.000 0.535 262 V N 4.796 124.730 119.914 0.032 0.000 2.459 262 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 262 V C 0.130 176.158 176.094 -0.110 0.000 1.029 262 V CA -0.911 61.338 62.300 -0.084 0.000 0.874 262 V CB 1.649 33.406 31.823 -0.111 0.000 0.985 262 V HN 0.793 nan 8.190 nan 0.000 0.438 263 N N 3.558 122.158 118.700 -0.166 0.000 2.623 263 N HA 0.462 5.202 4.740 -0.000 0.000 0.256 263 N C 0.446 175.857 175.510 -0.164 0.000 1.045 263 N CA 0.867 53.844 53.050 -0.122 0.000 0.863 263 N CB 1.602 40.039 38.487 -0.082 0.000 1.182 263 N HN 0.937 nan 8.380 nan 0.000 0.523 264 G N 2.831 111.542 108.800 -0.149 0.000 2.596 264 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.304 264 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.304 264 G C 0.672 175.436 174.900 -0.226 0.000 1.189 264 G CA 1.039 46.049 45.100 -0.150 0.000 0.986 264 G HN 0.794 nan 8.290 nan 0.000 0.548 265 T N -1.593 112.831 114.554 -0.216 0.000 3.122 265 T HA 0.599 4.949 4.350 -0.000 0.000 0.250 265 T C 0.761 175.231 174.700 -0.384 0.000 1.067 265 T CA 1.085 63.025 62.100 -0.267 0.000 0.966 265 T CB 0.231 69.013 68.868 -0.144 0.000 1.002 265 T HN 0.768 nan 8.240 nan 0.000 0.542 266 S N 0.891 116.359 115.700 -0.386 0.000 2.593 266 S HA 0.747 5.217 4.470 -0.000 0.000 0.297 266 S C -1.025 173.282 174.600 -0.489 0.000 1.112 266 S CA -0.677 57.325 58.200 -0.330 0.000 1.043 266 S CB 0.748 63.865 63.200 -0.139 0.000 1.054 266 S HN 0.322 nan 8.310 nan 0.000 0.516 267 F N 1.082 121.023 119.950 -0.014 0.000 2.508 267 F HA 0.592 5.119 4.527 -0.000 0.000 0.325 267 F C 0.679 176.475 175.800 -0.006 0.000 1.090 267 F CA -0.683 57.310 58.000 -0.012 0.000 0.945 267 F CB 1.982 40.974 39.000 -0.013 0.000 1.156 267 F HN 0.487 nan 8.300 nan 0.000 0.463 268 S N 1.306 117.122 115.700 0.195 0.000 2.293 268 S HA 0.277 4.747 4.470 -0.000 0.000 0.154 268 S C 0.080 174.740 174.600 0.100 0.000 1.602 268 S CA -0.503 57.763 58.200 0.109 0.000 1.260 268 S CB -0.176 63.062 63.200 0.062 0.000 1.270 268 S HN 0.794 nan 8.310 nan 0.000 0.416 269 c N 2.256 120.911 118.600 0.092 0.000 2.485 269 c HA 0.463 5.033 4.570 -0.000 0.000 0.277 269 c C 2.026 176.138 174.090 0.037 0.000 1.376 269 c CA 0.491 56.854 56.329 0.058 0.000 1.759 269 c CB -1.652 40.871 42.510 0.022 0.000 1.970 269 c HN 1.127 nan 8.230 nan 0.000 0.509 270 G N 1.198 110.018 108.800 0.033 0.000 2.552 270 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.265 270 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.265 270 G C -0.277 174.633 174.900 0.016 0.000 1.234 270 G CA 0.151 45.265 45.100 0.024 0.000 0.944 270 G HN 0.438 nan 8.290 nan 0.000 0.568 271 N N 0.962 119.670 118.700 0.013 0.000 2.426 271 N HA 0.464 5.204 4.740 -0.000 0.000 0.257 271 N C 1.072 176.587 175.510 0.008 0.000 1.002 271 N CA -0.507 52.549 53.050 0.009 0.000 0.942 271 N CB 0.695 39.187 38.487 0.009 0.000 1.112 271 N HN 0.382 nan 8.380 nan 0.000 0.499 272 M N 1.530 121.133 119.600 0.004 0.000 2.404 272 M HA 0.228 4.708 4.480 -0.000 0.000 0.271 272 M C 0.308 176.610 176.300 0.002 0.000 1.128 272 M CA -0.416 54.886 55.300 0.003 0.000 0.982 272 M CB -0.620 31.978 32.600 -0.002 0.000 1.445 272 M HN 0.455 nan 8.290 nan 0.000 0.495 273 A N 1.371 124.193 122.820 0.003 0.000 2.546 273 A HA 0.127 4.447 4.320 -0.000 0.000 0.243 273 A C 0.893 178.480 177.584 0.005 0.000 1.063 273 A CA 0.522 52.560 52.037 0.003 0.000 0.757 273 A CB -0.547 18.455 19.000 0.004 0.000 0.991 273 A HN 0.792 nan 8.150 nan 0.000 0.503 274 N N -0.269 118.434 118.700 0.005 0.000 2.741 274 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 274 N C -0.527 174.987 175.510 0.007 0.000 1.112 274 N CA 1.518 54.572 53.050 0.006 0.000 0.750 274 N CB -0.761 37.730 38.487 0.007 0.000 1.119 274 N HN 0.807 nan 8.380 nan 0.000 0.561 275 K N 0.175 120.579 120.400 0.006 0.000 2.400 275 K HA 0.522 4.842 4.320 -0.000 0.000 0.246 275 K C -0.584 176.019 176.600 0.004 0.000 0.995 275 K CA -0.906 55.384 56.287 0.006 0.000 0.840 275 K CB 1.772 34.276 32.500 0.007 0.000 1.293 275 K HN -0.099 nan 8.250 nan 0.000 0.445 276 I N 1.631 122.203 120.570 0.003 0.000 2.315 276 I HA 0.091 4.260 4.170 -0.000 0.000 0.291 276 I C 0.020 176.137 176.117 0.000 0.000 1.006 276 I CA -0.664 60.636 61.300 -0.001 0.000 1.265 276 I CB 0.808 38.805 38.000 -0.005 0.000 1.387 276 I HN 0.623 nan 8.210 nan 0.000 0.475 277 c N 8.542 127.143 118.600 0.002 0.000 2.303 277 c HA 0.453 5.023 4.570 -0.000 0.000 0.341 277 c C 0.101 174.204 174.090 0.023 0.000 1.244 277 c CA -0.606 55.729 56.329 0.010 0.000 1.765 277 c CB -0.340 42.170 42.510 0.001 0.000 2.379 277 c HN 0.617 nan 8.230 nan 0.000 0.530 278 L N 7.366 128.615 121.223 0.043 0.000 2.276 278 L HA 0.765 5.105 4.340 -0.000 0.000 0.286 278 L C -0.357 176.609 176.870 0.160 0.000 1.061 278 L CA 0.437 55.332 54.840 0.092 0.000 0.807 278 L CB 1.326 43.420 42.059 0.058 0.000 1.177 278 L HN 0.557 nan 8.230 nan 0.000 0.429 279 V N 5.358 125.383 119.914 0.185 0.000 2.808 279 V HA 0.401 4.521 4.120 -0.000 0.000 0.308 279 V C -0.612 175.396 176.094 -0.145 0.000 1.099 279 V CA -0.649 61.712 62.300 0.102 0.000 0.920 279 V CB 2.084 33.935 31.823 0.048 0.000 1.014 279 V HN 0.905 nan 8.190 nan 0.000 0.425 280 E N 5.205 125.162 120.200 -0.405 0.000 2.338 280 E HA 0.254 4.604 4.350 -0.000 0.000 0.272 280 E C 0.121 176.528 176.600 -0.321 0.000 1.029 280 E CA -0.550 55.315 56.400 -0.892 0.000 0.872 280 E CB 0.719 30.002 29.700 -0.694 0.000 1.015 280 E HN 0.671 nan 8.360 nan 0.000 0.417 281 R N 3.258 123.579 120.500 -0.298 0.000 2.489 281 R HA 0.106 4.446 4.340 -0.000 0.000 0.287 281 R C -1.130 175.137 176.300 -0.056 0.000 1.053 281 R CA -0.259 55.785 56.100 -0.094 0.000 1.036 281 R CB 0.559 30.813 30.300 -0.077 0.000 0.966 281 R HN 0.279 nan 8.270 nan 0.000 0.432 282 V N 5.410 125.346 119.914 0.037 0.000 2.370 282 V HA 0.536 4.656 4.120 -0.000 0.000 0.283 282 V C 0.641 176.737 176.094 0.004 0.000 1.023 282 V CA 0.556 62.854 62.300 -0.003 0.000 0.857 282 V CB 0.745 32.567 31.823 -0.002 0.000 0.985 282 V HN 1.161 nan 8.190 nan 0.000 0.443 283 G N 5.371 114.152 108.800 -0.031 0.000 2.796 283 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.571 283 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.571 283 G C -0.836 174.048 174.900 -0.026 0.000 1.370 283 G CA -0.302 44.781 45.100 -0.028 0.000 0.856 283 G HN 0.821 nan 8.290 nan 0.000 0.538 284 N N -0.822 117.859 118.700 -0.031 0.000 2.405 284 N HA 0.441 5.181 4.740 -0.000 0.000 0.274 284 N C -0.417 175.070 175.510 -0.038 0.000 1.170 284 N CA -0.704 52.330 53.050 -0.028 0.000 0.848 284 N CB 2.020 40.486 38.487 -0.036 0.000 1.629 284 N HN 0.895 nan 8.380 nan 0.000 0.481 285 Q N 0.726 120.517 119.800 -0.014 0.000 2.330 285 Q HA 0.372 4.712 4.340 -0.000 0.000 0.279 285 Q C 0.111 176.065 176.000 -0.077 0.000 1.024 285 Q CA 0.969 56.752 55.803 -0.033 0.000 0.900 285 Q CB 0.371 29.171 28.738 0.102 0.000 1.221 285 Q HN 0.835 nan 8.270 nan 0.000 0.396 286 G N 0.975 109.660 108.800 -0.191 0.000 2.445 286 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.104 286 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.104 286 G C 0.355 175.122 174.900 -0.220 0.000 0.958 286 G CA 0.202 45.219 45.100 -0.138 0.000 1.324 286 G HN 0.688 nan 8.290 nan 0.000 0.549 287 S N 0.205 115.801 115.700 -0.173 0.000 2.481 287 S HA 0.324 4.794 4.470 -0.000 0.000 0.231 287 S C 1.194 175.644 174.600 -0.251 0.000 0.996 287 S CA 1.504 59.609 58.200 -0.158 0.000 0.942 287 S CB -0.344 62.801 63.200 -0.091 0.000 0.768 287 S HN 1.765 nan 8.310 nan 0.000 0.520 288 S N -0.622 114.870 115.700 -0.347 0.000 2.732 288 S HA 0.697 5.167 4.470 -0.000 0.000 0.293 288 S C -1.631 172.595 174.600 -0.624 0.000 1.159 288 S CA -0.994 56.974 58.200 -0.386 0.000 0.847 288 S CB 0.537 63.649 63.200 -0.146 0.000 1.169 288 S HN 0.179 nan 8.310 nan 0.000 0.501 289 Y N 1.470 121.763 120.300 -0.011 0.000 2.748 289 Y HA 0.435 4.985 4.550 -0.000 0.000 0.359 289 Y C -1.888 173.998 175.900 -0.024 0.000 1.030 289 Y CA -1.878 56.218 58.100 -0.008 0.000 1.169 289 Y CB 1.310 39.748 38.460 -0.036 0.000 1.127 289 Y HN 0.557 nan 8.280 nan 0.000 0.644 290 P HA -0.072 nan 4.420 nan 0.000 0.245 290 P C 1.081 178.401 177.300 0.034 0.000 1.212 290 P CA 0.673 63.797 63.100 0.040 0.000 0.774 290 P CB 0.695 32.407 31.700 0.019 0.000 0.999 291 E N 0.887 121.104 120.200 0.028 0.000 2.147 291 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 291 E C 1.751 178.307 176.600 -0.074 0.000 1.005 291 E CA 0.853 57.234 56.400 -0.030 0.000 0.810 291 E CB -1.129 28.517 29.700 -0.091 0.000 0.736 291 E HN 0.139 nan 8.360 nan 0.000 0.460 292 I N 0.760 121.291 120.570 -0.066 0.000 2.567 292 I HA -0.253 3.917 4.170 -0.000 0.000 0.257 292 I C 1.372 177.448 176.117 -0.068 0.000 1.184 292 I CA 1.109 62.362 61.300 -0.078 0.000 1.451 292 I CB -0.316 37.651 38.000 -0.054 0.000 1.089 292 I HN 0.128 nan 8.210 nan 0.000 0.441 293 N N 0.131 118.817 118.700 -0.023 0.000 2.028 293 N HA -0.142 4.597 4.740 -0.000 0.000 0.194 293 N C 1.976 177.365 175.510 -0.202 0.000 1.050 293 N CA 1.921 54.967 53.050 -0.006 0.000 0.848 293 N CB -0.638 37.941 38.487 0.154 0.000 1.038 293 N HN 0.299 nan 8.380 nan 0.000 0.423 294 S N 0.370 116.014 115.700 -0.094 0.000 2.383 294 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 294 S C 2.039 176.466 174.600 -0.289 0.000 1.026 294 S CA 1.229 59.261 58.200 -0.281 0.000 0.981 294 S CB -0.350 62.884 63.200 0.056 0.000 0.818 294 S HN 0.432 nan 8.310 nan 0.000 0.472 295 T N 1.806 116.273 114.554 -0.145 0.000 2.708 295 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 295 T C 1.815 176.432 174.700 -0.139 0.000 1.037 295 T CA 1.181 63.225 62.100 -0.093 0.000 1.146 295 T CB -0.176 68.653 68.868 -0.067 0.000 0.865 295 T HN 0.359 nan 8.240 nan 0.000 0.435 296 K N 0.996 121.296 120.400 -0.167 0.000 2.148 296 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 296 K C 2.517 178.992 176.600 -0.209 0.000 1.050 296 K CA 0.976 57.173 56.287 -0.149 0.000 0.942 296 K CB -0.286 32.145 32.500 -0.115 0.000 0.724 296 K HN 0.280 nan 8.250 nan 0.000 0.446 297 A N 0.803 123.387 122.820 -0.393 0.000 1.908 297 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 297 A C 2.405 179.833 177.584 -0.260 0.000 1.181 297 A CA 1.766 53.521 52.037 -0.470 0.000 0.627 297 A CB -1.037 17.267 19.000 -1.159 0.000 0.818 297 A HN 0.538 nan 8.150 nan 0.000 0.445 298 c N -1.183 117.284 118.600 -0.222 0.000 2.453 298 c HA -0.017 4.553 4.570 -0.000 0.000 0.277 298 c C 2.733 176.779 174.090 -0.072 0.000 1.262 298 c CA 1.492 57.755 56.329 -0.110 0.000 1.718 298 c CB -0.720 41.745 42.510 -0.075 0.000 2.031 298 c HN 0.714 nan 8.230 nan 0.000 0.480 299 K N 1.038 121.394 120.400 -0.073 0.000 2.026 299 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 299 K C 1.866 178.442 176.600 -0.041 0.000 1.048 299 K CA 2.217 58.477 56.287 -0.045 0.000 0.929 299 K CB -0.881 31.595 32.500 -0.040 0.000 0.713 299 K HN 0.418 nan 8.250 nan 0.000 0.439 300 T N 0.367 114.888 114.554 -0.055 0.000 2.759 300 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 300 T C 1.713 176.395 174.700 -0.029 0.000 1.042 300 T CA 1.430 63.506 62.100 -0.040 0.000 1.140 300 T CB -0.482 68.357 68.868 -0.048 0.000 0.864 300 T HN 0.401 nan 8.240 nan 0.000 0.455 301 A N 0.299 123.098 122.820 -0.036 0.000 2.172 301 A HA 0.398 4.717 4.320 -0.000 0.000 0.216 301 A C 1.969 179.545 177.584 -0.012 0.000 1.154 301 A CA 1.261 53.286 52.037 -0.020 0.000 0.701 301 A CB -0.770 18.217 19.000 -0.021 0.000 0.789 301 A HN 0.833 nan 8.150 nan 0.000 0.465 302 G N -2.546 106.245 108.800 -0.015 0.000 2.148 302 G HA2 0.175 4.135 3.960 -0.000 0.000 0.203 302 G HA3 0.175 4.135 3.960 -0.000 0.000 0.203 302 G C 0.369 175.265 174.900 -0.006 0.000 0.993 302 G CA 0.150 45.245 45.100 -0.008 0.000 0.661 302 G HN 1.565 nan 8.290 nan 0.000 0.518 303 A N 0.046 122.860 122.820 -0.009 0.000 2.531 303 A HA 0.543 4.863 4.320 -0.000 0.000 0.236 303 A C 1.344 178.927 177.584 -0.001 0.000 1.062 303 A CA 1.224 53.258 52.037 -0.005 0.000 0.760 303 A CB 0.291 19.285 19.000 -0.009 0.000 0.995 303 A HN 0.367 nan 8.150 nan 0.000 0.501 304 K N 1.149 121.551 120.400 0.003 0.000 2.323 304 K HA 0.153 4.473 4.320 -0.000 0.000 0.197 304 K C 0.798 177.403 176.600 0.008 0.000 1.043 304 K CA 0.923 57.213 56.287 0.006 0.000 0.997 304 K CB 0.424 32.928 32.500 0.008 0.000 0.807 304 K HN 0.836 nan 8.250 nan 0.000 0.497 305 G N 0.816 109.619 108.800 0.006 0.000 2.698 305 G HA2 0.606 4.566 3.960 -0.000 0.000 0.293 305 G HA3 0.606 4.566 3.960 -0.000 0.000 0.293 305 G C -1.475 173.426 174.900 0.002 0.000 1.437 305 G CA -0.673 44.430 45.100 0.006 0.000 0.852 305 G HN -0.026 nan 8.290 nan 0.000 0.499 306 I N 0.414 120.984 120.570 0.001 0.000 2.619 306 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 306 I C -0.888 175.215 176.117 -0.025 0.000 1.100 306 I CA -0.806 60.494 61.300 0.001 0.000 1.043 306 I CB 2.661 40.676 38.000 0.025 0.000 1.239 306 I HN 0.232 nan 8.210 nan 0.000 0.420 307 I N 6.008 126.568 120.570 -0.017 0.000 2.439 307 I HA 0.340 4.510 4.170 -0.000 0.000 0.283 307 I C -0.729 175.406 176.117 0.031 0.000 1.023 307 I CA -0.747 60.531 61.300 -0.037 0.000 1.100 307 I CB 1.912 39.881 38.000 -0.052 0.000 1.238 307 I HN 0.147 nan 8.210 nan 0.000 0.445 308 V N 6.976 126.895 119.914 0.010 0.000 2.407 308 V HA 0.332 4.452 4.120 -0.000 0.000 0.278 308 V C -0.576 175.567 176.094 0.081 0.000 1.037 308 V CA -0.546 61.786 62.300 0.054 0.000 0.900 308 V CB 1.003 32.882 31.823 0.092 0.000 0.983 308 V HN 0.563 nan 8.190 nan 0.000 0.459 309 Y N 1.891 122.172 120.300 -0.031 0.000 2.487 309 Y HA 0.757 5.307 4.550 -0.000 0.000 0.337 309 Y C 0.368 176.251 175.900 -0.028 0.000 1.076 309 Y CA -1.302 56.769 58.100 -0.048 0.000 1.115 309 Y CB 0.902 39.328 38.460 -0.057 0.000 1.235 309 Y HN 0.462 nan 8.280 nan 0.000 0.468 310 S N 3.314 119.064 115.700 0.082 0.000 2.558 310 S HA 0.032 4.502 4.470 -0.000 0.000 0.288 310 S C 0.054 174.635 174.600 -0.031 0.000 1.318 310 S CA -0.520 57.677 58.200 -0.006 0.000 1.056 310 S CB -0.303 62.895 63.200 -0.002 0.000 0.853 310 S HN 0.826 nan 8.310 nan 0.000 0.505 311 N N 0.895 119.550 118.700 -0.075 0.000 2.447 311 N HA 0.200 4.940 4.740 -0.000 0.000 0.271 311 N C 0.424 175.917 175.510 -0.028 0.000 1.226 311 N CA -0.753 52.253 53.050 -0.073 0.000 0.980 311 N CB 0.534 38.965 38.487 -0.092 0.000 1.206 311 N HN 0.381 nan 8.380 nan 0.000 0.558 312 S N -0.213 115.474 115.700 -0.021 0.000 2.442 312 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 312 S C 1.916 176.502 174.600 -0.024 0.000 1.007 312 S CA 1.078 59.271 58.200 -0.013 0.000 0.965 312 S CB -0.470 62.724 63.200 -0.010 0.000 0.773 312 S HN 0.701 nan 8.310 nan 0.000 0.504 313 A N 0.711 123.511 122.820 -0.034 0.000 1.873 313 A HA 0.161 4.481 4.320 -0.000 0.000 0.215 313 A C 1.019 178.580 177.584 -0.038 0.000 1.186 313 A CA 0.909 52.924 52.037 -0.036 0.000 0.616 313 A CB -0.110 18.865 19.000 -0.042 0.000 0.823 313 A HN 0.452 nan 8.150 nan 0.000 0.442 314 L N 0.096 121.294 121.223 -0.042 0.000 2.480 314 L HA 0.250 4.590 4.340 -0.000 0.000 0.253 314 L C -2.014 174.825 176.870 -0.052 0.000 1.324 314 L CA -1.239 53.572 54.840 -0.050 0.000 0.916 314 L CB 2.150 44.178 42.059 -0.053 0.000 1.160 314 L HN 0.168 nan 8.230 nan 0.000 0.503 315 P HA -0.049 nan 4.420 nan 0.000 0.230 315 P C 0.886 178.141 177.300 -0.075 0.000 1.158 315 P CA 0.386 63.464 63.100 -0.037 0.000 0.769 315 P CB 0.410 32.099 31.700 -0.019 0.000 0.807 316 G N 0.860 109.587 108.800 -0.123 0.000 2.651 316 G HA2 0.245 4.205 3.960 -0.000 0.000 0.260 316 G HA3 0.245 4.205 3.960 -0.000 0.000 0.260 316 G C -0.633 174.135 174.900 -0.221 0.000 1.216 316 G CA -0.489 44.475 45.100 -0.227 0.000 0.913 316 G HN 0.185 nan 8.290 nan 0.000 0.535 317 L N 0.420 121.445 121.223 -0.329 0.000 2.418 317 L HA 0.256 4.596 4.340 -0.000 0.000 0.274 317 L C -0.032 176.747 176.870 -0.152 0.000 1.135 317 L CA -0.008 54.692 54.840 -0.234 0.000 0.870 317 L CB 0.668 42.564 42.059 -0.272 0.000 1.154 317 L HN 0.345 nan 8.230 nan 0.000 0.462 318 Q N 4.624 124.365 119.800 -0.100 0.000 2.306 318 Q HA 0.306 4.646 4.340 -0.000 0.000 0.265 318 Q C -0.622 175.347 176.000 -0.051 0.000 1.022 318 Q CA -0.207 55.567 55.803 -0.049 0.000 0.853 318 Q CB 1.595 30.317 28.738 -0.027 0.000 1.327 318 Q HN 0.726 nan 8.270 nan 0.000 0.449 319 N N 2.010 120.694 118.700 -0.026 0.000 2.813 319 N HA 0.222 4.962 4.740 -0.000 0.000 0.282 319 N C -2.442 173.002 175.510 -0.109 0.000 1.748 319 N CA -1.311 51.704 53.050 -0.058 0.000 0.860 319 N CB 1.084 39.553 38.487 -0.029 0.000 1.204 319 N HN 0.275 nan 8.380 nan 0.000 0.490 320 P HA 0.204 nan 4.420 nan 0.000 0.276 320 P C -0.737 176.473 177.300 -0.149 0.000 1.261 320 P CA -0.260 62.801 63.100 -0.066 0.000 0.800 320 P CB 0.966 32.696 31.700 0.051 0.000 1.066 321 F N 0.449 120.407 119.950 0.013 0.000 2.438 321 F HA 0.173 4.700 4.527 -0.000 0.000 0.356 321 F C 1.058 176.764 175.800 -0.156 0.000 1.099 321 F CA -0.492 57.436 58.000 -0.120 0.000 1.185 321 F CB 0.576 39.391 39.000 -0.308 0.000 1.115 321 F HN 0.071 nan 8.300 nan 0.000 0.526 322 L N 6.370 127.573 121.223 -0.033 0.000 2.315 322 L HA 0.363 4.703 4.340 -0.000 0.000 0.278 322 L C -0.668 176.116 176.870 -0.144 0.000 1.088 322 L CA -0.285 54.455 54.840 -0.167 0.000 0.899 322 L CB 0.047 41.918 42.059 -0.313 0.000 1.277 322 L HN 0.310 nan 8.230 nan 0.000 0.431 323 V N 4.103 123.909 119.914 -0.180 0.000 2.397 323 V HA 0.132 4.252 4.120 -0.000 0.000 0.262 323 V C 0.219 176.203 176.094 -0.183 0.000 1.047 323 V CA -0.228 61.873 62.300 -0.332 0.000 1.003 323 V CB 0.549 32.104 31.823 -0.447 0.000 1.037 323 V HN 0.608 nan 8.190 nan 0.000 0.480 324 D N 4.441 124.778 120.400 -0.105 0.000 2.540 324 D HA 0.466 5.106 4.640 -0.000 0.000 0.251 324 D C 1.100 177.460 176.300 0.100 0.000 1.159 324 D CA 0.088 54.085 54.000 -0.006 0.000 0.974 324 D CB 1.277 42.076 40.800 -0.002 0.000 0.996 324 D HN 0.517 nan 8.370 nan 0.000 0.512 325 A N 3.253 126.151 122.820 0.130 0.000 1.917 325 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 325 A C 1.655 179.302 177.584 0.106 0.000 1.182 325 A CA 1.229 53.392 52.037 0.209 0.000 0.633 325 A CB -0.076 19.025 19.000 0.168 0.000 0.819 325 A HN 0.478 nan 8.150 nan 0.000 0.448 326 N N -0.461 118.275 118.700 0.061 0.000 2.235 326 N HA 0.107 4.847 4.740 -0.000 0.000 0.209 326 N C -0.159 175.367 175.510 0.026 0.000 1.122 326 N CA 0.740 53.810 53.050 0.034 0.000 0.845 326 N CB 0.413 38.913 38.487 0.021 0.000 1.004 326 N HN 0.276 nan 8.380 nan 0.000 0.499 327 S N 0.795 116.517 115.700 0.036 0.000 3.614 327 S HA -0.129 4.341 4.470 -0.000 0.000 0.360 327 S C 0.579 175.188 174.600 0.014 0.000 1.023 327 S CA 0.587 58.803 58.200 0.027 0.000 1.114 327 S CB -0.901 62.314 63.200 0.024 0.000 0.907 327 S HN 0.401 nan 8.310 nan 0.000 0.470 328 D N 0.754 121.159 120.400 0.007 0.000 2.149 328 D HA 0.007 4.647 4.640 -0.000 0.000 0.201 328 D C 0.963 177.261 176.300 -0.004 0.000 0.972 328 D CA 0.647 54.646 54.000 -0.002 0.000 0.835 328 D CB 0.004 40.797 40.800 -0.011 0.000 0.966 328 D HN 0.463 nan 8.370 nan 0.000 0.476 329 I N 2.511 123.078 120.570 -0.004 0.000 2.278 329 I HA 0.010 4.180 4.170 -0.000 0.000 0.300 329 I C 1.210 177.336 176.117 0.014 0.000 1.174 329 I CA 0.428 61.729 61.300 0.002 0.000 1.347 329 I CB -0.721 37.277 38.000 -0.003 0.000 1.473 329 I HN -0.122 nan 8.210 nan 0.000 0.595 330 T N 1.234 115.796 114.554 0.014 0.000 3.092 330 T HA 0.287 4.637 4.350 -0.000 0.000 0.258 330 T C 0.425 175.138 174.700 0.021 0.000 1.031 330 T CA -0.308 61.803 62.100 0.018 0.000 0.925 330 T CB -0.263 68.613 68.868 0.013 0.000 1.036 330 T HN 0.287 nan 8.240 nan 0.000 0.544 331 V N -1.836 118.092 119.914 0.023 0.000 2.994 331 V HA 0.773 4.893 4.120 -0.000 0.000 0.318 331 V C -2.953 173.162 176.094 0.035 0.000 1.085 331 V CA -3.203 59.112 62.300 0.024 0.000 0.998 331 V CB 1.682 33.516 31.823 0.018 0.000 1.063 331 V HN -0.070 nan 8.190 nan 0.000 0.447 332 P HA 0.241 nan 4.420 nan 0.000 0.271 332 P C -0.434 176.884 177.300 0.029 0.000 1.226 332 P CA 0.423 63.544 63.100 0.034 0.000 0.765 332 P CB 0.934 32.650 31.700 0.027 0.000 0.835 333 S N 2.411 118.138 115.700 0.044 0.000 2.548 333 S HA 0.764 5.234 4.470 -0.000 0.000 0.286 333 S C -0.165 174.318 174.600 -0.195 0.000 1.098 333 S CA -0.738 57.475 58.200 0.022 0.000 0.930 333 S CB 1.686 65.033 63.200 0.244 0.000 1.070 333 S HN 0.444 nan 8.310 nan 0.000 0.480 334 V N -1.224 118.459 119.914 -0.386 0.000 3.160 334 V HA 0.963 5.083 4.120 -0.000 0.000 0.310 334 V C -0.433 175.289 176.094 -0.620 0.000 1.181 334 V CA -0.715 61.275 62.300 -0.517 0.000 1.047 334 V CB 1.417 33.096 31.823 -0.240 0.000 1.068 334 V HN 1.082 nan 8.190 nan 0.000 0.441 335 S N 0.630 116.054 115.700 -0.459 0.000 2.502 335 S HA 0.873 5.343 4.470 -0.000 0.000 0.304 335 S C -0.751 173.733 174.600 -0.194 0.000 1.097 335 S CA 0.039 58.080 58.200 -0.265 0.000 1.045 335 S CB 1.205 64.303 63.200 -0.170 0.000 1.019 335 S HN 2.221 nan 8.310 nan 0.000 0.481 336 V N 1.702 121.549 119.914 -0.111 0.000 3.040 336 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 336 V C -0.558 175.509 176.094 -0.045 0.000 1.115 336 V CA -1.170 61.071 62.300 -0.099 0.000 0.998 336 V CB 1.666 33.429 31.823 -0.099 0.000 1.042 336 V HN 0.892 nan 8.190 nan 0.000 0.433 337 D N 1.438 121.799 120.400 -0.066 0.000 2.384 337 D HA 0.176 4.816 4.640 -0.000 0.000 0.244 337 D C 1.081 177.393 176.300 0.020 0.000 1.251 337 D CA -0.196 53.775 54.000 -0.049 0.000 0.961 337 D CB 0.759 41.496 40.800 -0.105 0.000 1.116 337 D HN 0.706 nan 8.370 nan 0.000 0.484 338 R N -0.051 120.475 120.500 0.043 0.000 2.081 338 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 338 R C 2.071 178.380 176.300 0.015 0.000 1.131 338 R CA 1.593 57.760 56.100 0.112 0.000 0.960 338 R CB -0.614 29.743 30.300 0.095 0.000 0.856 338 R HN 0.588 nan 8.270 nan 0.000 0.436 339 A N -0.301 122.514 122.820 -0.009 0.000 1.940 339 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 339 A C 2.124 179.678 177.584 -0.049 0.000 1.176 339 A CA 2.087 54.111 52.037 -0.022 0.000 0.631 339 A CB -0.778 18.221 19.000 -0.001 0.000 0.814 339 A HN 0.453 nan 8.150 nan 0.000 0.446 340 T N -0.562 113.959 114.554 -0.055 0.000 2.812 340 T HA 0.044 4.394 4.350 -0.000 0.000 0.264 340 T C 1.988 176.566 174.700 -0.204 0.000 1.042 340 T CA 1.180 63.233 62.100 -0.079 0.000 1.140 340 T CB -0.536 68.297 68.868 -0.058 0.000 0.870 340 T HN 0.567 nan 8.240 nan 0.000 0.445 341 G N 1.593 110.230 108.800 -0.272 0.000 2.421 341 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 341 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 341 G C 1.482 175.941 174.900 -0.736 0.000 1.171 341 G CA 0.455 45.156 45.100 -0.666 0.000 0.775 341 G HN 0.428 nan 8.290 nan 0.000 0.543 342 L N 0.613 121.546 121.223 -0.484 0.000 2.083 342 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 342 L C 3.374 180.131 176.870 -0.187 0.000 1.083 342 L CA 0.974 55.637 54.840 -0.295 0.000 0.752 342 L CB -0.381 41.596 42.059 -0.135 0.000 0.899 342 L HN 0.320 nan 8.230 nan 0.000 0.433 343 A N -0.092 122.645 122.820 -0.138 0.000 1.969 343 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 343 A C 2.213 179.760 177.584 -0.063 0.000 1.169 343 A CA 1.092 53.097 52.037 -0.054 0.000 0.635 343 A CB -0.537 18.475 19.000 0.020 0.000 0.810 343 A HN 0.367 nan 8.150 nan 0.000 0.445 344 L N -0.780 120.342 121.223 -0.168 0.000 2.275 344 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 344 L C 2.348 179.140 176.870 -0.130 0.000 1.119 344 L CA 1.061 55.787 54.840 -0.190 0.000 0.790 344 L CB -0.291 41.581 42.059 -0.311 0.000 0.919 344 L HN 0.357 nan 8.230 nan 0.000 0.443 345 K N 0.172 120.486 120.400 -0.143 0.000 2.103 345 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 345 K C 2.183 178.757 176.600 -0.044 0.000 1.048 345 K CA 1.371 57.603 56.287 -0.092 0.000 0.930 345 K CB -0.267 32.178 32.500 -0.092 0.000 0.716 345 K HN 0.307 nan 8.250 nan 0.000 0.444 346 A N 1.429 124.231 122.820 -0.030 0.000 2.070 346 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 346 A C 1.451 179.039 177.584 0.007 0.000 1.159 346 A CA 1.356 53.390 52.037 -0.004 0.000 0.656 346 A CB -0.043 18.962 19.000 0.008 0.000 0.800 346 A HN 0.067 nan 8.150 nan 0.000 0.453 347 K N -0.127 120.277 120.400 0.008 0.000 2.387 347 K HA 0.293 4.613 4.320 -0.000 0.000 0.198 347 K C -0.030 176.574 176.600 0.007 0.000 1.022 347 K CA -0.179 56.121 56.287 0.022 0.000 1.128 347 K CB -0.310 32.221 32.500 0.051 0.000 0.853 347 K HN 0.459 nan 8.250 nan 0.000 0.523 348 L N 0.705 121.925 121.223 -0.005 0.000 2.578 348 L HA -0.056 4.284 4.340 -0.000 0.000 0.279 348 L C 1.466 178.339 176.870 0.005 0.000 1.227 348 L CA 1.056 55.894 54.840 -0.003 0.000 0.900 348 L CB -0.018 42.039 42.059 -0.003 0.000 1.144 348 L HN 0.572 nan 8.230 nan 0.000 0.496 349 G N 1.844 110.648 108.800 0.007 0.000 2.258 349 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.233 349 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.233 349 G C 0.268 175.175 174.900 0.012 0.000 1.006 349 G CA -0.329 44.777 45.100 0.009 0.000 0.620 349 G HN 0.576 nan 8.290 nan 0.000 0.511 350 Q N 0.800 120.609 119.800 0.015 0.000 2.259 350 Q HA 0.553 4.892 4.340 -0.000 0.000 0.246 350 Q C 0.397 176.411 176.000 0.022 0.000 0.920 350 Q CA 0.123 55.939 55.803 0.021 0.000 0.895 350 Q CB 1.472 30.227 28.738 0.030 0.000 1.220 350 Q HN 0.234 nan 8.270 nan 0.000 0.439 351 S N 1.312 117.026 115.700 0.024 0.000 2.515 351 S HA 0.080 4.550 4.470 -0.000 0.000 0.285 351 S C -0.664 173.956 174.600 0.034 0.000 1.265 351 S CA -0.013 58.202 58.200 0.024 0.000 1.079 351 S CB 0.029 63.243 63.200 0.023 0.000 0.877 351 S HN 0.486 nan 8.310 nan 0.000 0.493 352 T N 4.704 119.275 114.554 0.029 0.000 2.861 352 T HA 0.450 4.800 4.350 -0.000 0.000 0.287 352 T C -0.681 174.038 174.700 0.032 0.000 1.003 352 T CA -0.579 61.542 62.100 0.035 0.000 0.977 352 T CB 1.718 70.594 68.868 0.014 0.000 0.996 352 T HN 0.528 nan 8.240 nan 0.000 0.448 353 T N 2.694 117.275 114.554 0.046 0.000 2.772 353 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 353 T C -0.351 174.375 174.700 0.043 0.000 0.994 353 T CA -0.472 61.653 62.100 0.042 0.000 0.951 353 T CB 0.846 69.742 68.868 0.047 0.000 0.933 353 T HN 0.331 nan 8.240 nan 0.000 0.447 354 V N 4.100 124.031 119.914 0.029 0.000 2.417 354 V HA 0.765 4.885 4.120 -0.000 0.000 0.291 354 V C -0.077 176.036 176.094 0.031 0.000 1.024 354 V CA -0.679 61.635 62.300 0.023 0.000 0.861 354 V CB 1.626 33.449 31.823 -0.001 0.000 0.985 354 V HN 1.049 nan 8.190 nan 0.000 0.436 355 S N 3.325 119.051 115.700 0.044 0.000 2.540 355 S HA 0.612 5.081 4.470 -0.000 0.000 0.275 355 S C -1.109 173.529 174.600 0.062 0.000 1.123 355 S CA -0.973 57.258 58.200 0.051 0.000 0.907 355 S CB 1.552 64.786 63.200 0.056 0.000 1.081 355 S HN 0.673 nan 8.310 nan 0.000 0.476 356 N N 1.081 119.816 118.700 0.059 0.000 2.342 356 N HA 0.497 5.237 4.740 -0.000 0.000 0.293 356 N C -1.319 174.237 175.510 0.076 0.000 1.026 356 N CA -0.556 52.537 53.050 0.072 0.000 0.857 356 N CB 1.867 40.391 38.487 0.061 0.000 1.256 356 N HN 0.709 nan 8.380 nan 0.000 0.484 357 Q N 1.344 121.200 119.800 0.093 0.000 2.315 357 Q HA 0.488 4.828 4.340 -0.000 0.000 0.273 357 Q C -0.788 175.267 176.000 0.093 0.000 1.053 357 Q CA -0.850 55.003 55.803 0.083 0.000 0.817 357 Q CB 1.917 30.701 28.738 0.077 0.000 1.326 357 Q HN 0.706 nan 8.270 nan 0.000 0.423 358 G N 1.449 110.294 108.800 0.075 0.000 2.531 358 G HA2 0.236 4.195 3.960 -0.000 0.000 0.281 358 G HA3 0.236 4.195 3.960 -0.000 0.000 0.281 358 G C -0.220 174.719 174.900 0.065 0.000 1.382 358 G CA -0.321 44.825 45.100 0.076 0.000 1.045 358 G HN 0.915 nan 8.290 nan 0.000 0.533 359 N N -0.763 117.970 118.700 0.055 0.000 2.725 359 N HA -0.119 4.620 4.740 -0.000 0.000 0.249 359 N C 0.083 175.616 175.510 0.037 0.000 1.103 359 N CA 0.939 54.012 53.050 0.037 0.000 0.707 359 N CB -0.558 37.946 38.487 0.027 0.000 1.043 359 N HN 0.494 nan 8.380 nan 0.000 0.553 360 Q N 0.188 120.025 119.800 0.061 0.000 2.166 360 Q HA 0.322 4.662 4.340 -0.000 0.000 0.226 360 Q C 0.638 176.644 176.000 0.011 0.000 0.989 360 Q CA -0.163 55.686 55.803 0.076 0.000 0.966 360 Q CB 0.666 29.498 28.738 0.157 0.000 1.173 360 Q HN 0.065 nan 8.270 nan 0.000 0.509 361 D N -0.279 120.091 120.400 -0.049 0.000 2.440 361 D HA 0.197 4.836 4.640 -0.000 0.000 0.216 361 D C -0.549 175.343 176.300 -0.680 0.000 1.150 361 D CA 0.347 54.144 54.000 -0.339 0.000 0.832 361 D CB 0.432 40.895 40.800 -0.561 0.000 0.992 361 D HN 0.272 nan 8.370 nan 0.000 0.502 362 Y N 0.141 120.494 120.300 0.088 0.000 2.625 362 Y HA 0.513 5.063 4.550 -0.000 0.000 0.338 362 Y C -0.143 175.781 175.900 0.040 0.000 1.123 362 Y CA -1.102 57.012 58.100 0.024 0.000 1.046 362 Y CB 2.251 40.733 38.460 0.037 0.000 1.299 362 Y HN -0.322 nan 8.280 nan 0.000 0.464 363 E N 0.055 120.326 120.200 0.119 0.000 2.388 363 E HA 0.333 4.683 4.350 -0.000 0.000 0.281 363 E C -2.237 174.429 176.600 0.110 0.000 1.046 363 E CA -0.723 55.775 56.400 0.163 0.000 0.825 363 E CB 1.451 31.280 29.700 0.215 0.000 1.243 363 E HN 0.583 nan 8.360 nan 0.000 0.438 364 Y N 1.810 122.249 120.300 0.232 0.000 2.336 364 Y HA 0.357 4.907 4.550 -0.000 0.000 0.335 364 Y C -0.442 175.671 175.900 0.355 0.000 1.046 364 Y CA 0.295 58.542 58.100 0.244 0.000 1.198 364 Y CB 0.792 39.340 38.460 0.148 0.000 1.182 364 Y HN 0.304 nan 8.280 nan 0.000 0.502 365 Y N 1.754 122.123 120.300 0.115 0.000 2.570 365 Y HA 0.418 4.968 4.550 -0.000 0.000 0.345 365 Y C -0.379 175.510 175.900 -0.018 0.000 1.014 365 Y CA -1.394 56.631 58.100 -0.126 0.000 1.063 365 Y CB 2.238 40.336 38.460 -0.602 0.000 1.272 365 Y HN 0.543 nan 8.280 nan 0.000 0.477 366 N N -0.112 118.615 118.700 0.045 0.000 2.292 366 N HA 0.756 5.496 4.740 -0.000 0.000 0.303 366 N C -1.023 174.411 175.510 -0.126 0.000 1.140 366 N CA -0.818 52.241 53.050 0.015 0.000 0.788 366 N CB 2.451 40.866 38.487 -0.119 0.000 1.361 366 N HN 0.828 nan 8.380 nan 0.000 0.489 367 G N -0.916 107.876 108.800 -0.014 0.000 2.321 367 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.339 367 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.339 367 G C 0.363 175.441 174.900 0.297 0.000 1.518 367 G CA -0.311 44.761 45.100 -0.048 0.000 0.994 367 G HN 0.526 nan 8.290 nan 0.000 0.668 368 T N -1.686 113.079 114.554 0.353 0.000 3.007 368 T HA 0.012 4.362 4.350 -0.000 0.000 0.270 368 T C 2.260 177.093 174.700 0.221 0.000 1.107 368 T CA 2.161 64.437 62.100 0.292 0.000 1.118 368 T CB -0.015 69.006 68.868 0.254 0.000 0.889 368 T HN 0.555 nan 8.240 nan 0.000 0.506 369 S N 0.811 116.638 115.700 0.211 0.000 2.481 369 S HA 0.146 4.616 4.470 -0.000 0.000 0.231 369 S C 1.654 176.370 174.600 0.194 0.000 0.996 369 S CA 0.708 59.048 58.200 0.234 0.000 0.942 369 S CB -0.326 63.074 63.200 0.333 0.000 0.768 369 S HN 0.350 nan 8.310 nan 0.000 0.520 370 M N 0.526 120.246 119.600 0.200 0.000 2.486 370 M HA 0.323 4.803 4.480 -0.000 0.000 0.264 370 M C 2.080 178.557 176.300 0.296 0.000 1.125 370 M CA 0.489 55.921 55.300 0.220 0.000 1.144 370 M CB -0.612 32.131 32.600 0.238 0.000 1.353 370 M HN 0.260 nan 8.290 nan 0.000 0.466 371 A N -0.670 122.301 122.820 0.252 0.000 1.929 371 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 371 A C 2.213 179.935 177.584 0.230 0.000 1.176 371 A CA 1.995 54.167 52.037 0.226 0.000 0.628 371 A CB -1.154 17.946 19.000 0.167 0.000 0.816 371 A HN 0.426 nan 8.150 nan 0.000 0.444 372 T N 1.077 115.745 114.554 0.191 0.000 2.635 372 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 372 T C -0.228 174.551 174.700 0.131 0.000 1.040 372 T CA 1.892 64.085 62.100 0.155 0.000 1.156 372 T CB -1.191 67.768 68.868 0.152 0.000 0.863 372 T HN 0.508 nan 8.240 nan 0.000 0.430 373 P HA -0.080 nan 4.420 nan 0.000 0.222 373 P C 0.748 178.028 177.300 -0.033 0.000 1.147 373 P CA 1.347 64.456 63.100 0.015 0.000 0.790 373 P CB -0.139 31.533 31.700 -0.048 0.000 0.780 374 H N -0.492 118.588 119.070 0.017 0.000 2.357 374 H HA -0.058 4.498 4.556 -0.000 0.000 0.301 374 H C 2.073 177.421 175.328 0.034 0.000 1.082 374 H CA 1.325 57.374 56.048 0.001 0.000 1.342 374 H CB -0.838 28.906 29.762 -0.030 0.000 1.389 374 H HN -0.126 nan 8.280 nan 0.000 0.511 375 V N 0.348 120.368 119.914 0.176 0.000 2.307 375 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 375 V C 2.435 178.593 176.094 0.106 0.000 1.045 375 V CA 1.943 64.319 62.300 0.127 0.000 1.024 375 V CB -0.571 31.322 31.823 0.117 0.000 0.651 375 V HN 0.605 nan 8.190 nan 0.000 0.449 376 S N 0.703 116.463 115.700 0.101 0.000 2.406 376 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 376 S C 2.081 176.741 174.600 0.099 0.000 1.020 376 S CA 1.184 59.446 58.200 0.103 0.000 0.965 376 S CB -0.715 62.544 63.200 0.099 0.000 0.798 376 S HN 0.521 nan 8.310 nan 0.000 0.488 377 G N 1.590 110.432 108.800 0.069 0.000 2.421 377 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 377 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 377 G C 1.436 176.387 174.900 0.086 0.000 1.171 377 G CA 0.964 46.097 45.100 0.054 0.000 0.775 377 G HN 0.457 nan 8.290 nan 0.000 0.543 378 V N 1.563 121.533 119.914 0.093 0.000 2.427 378 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 378 V C 3.323 179.492 176.094 0.125 0.000 1.051 378 V CA 1.897 64.260 62.300 0.106 0.000 1.048 378 V CB -0.741 31.142 31.823 0.100 0.000 0.666 378 V HN 0.478 nan 8.190 nan 0.000 0.456 379 A N -0.123 122.771 122.820 0.123 0.000 1.908 379 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 379 A C 2.407 180.140 177.584 0.248 0.000 1.181 379 A CA 2.669 54.789 52.037 0.139 0.000 0.627 379 A CB -0.998 18.075 19.000 0.121 0.000 0.818 379 A HN 0.509 nan 8.150 nan 0.000 0.445 380 T N -0.018 114.679 114.554 0.239 0.000 2.777 380 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 380 T C 1.848 176.686 174.700 0.230 0.000 1.040 380 T CA 1.432 63.686 62.100 0.256 0.000 1.141 380 T CB -0.382 68.577 68.868 0.152 0.000 0.868 380 T HN 0.332 nan 8.240 nan 0.000 0.444 381 L N 1.472 122.809 121.223 0.190 0.000 1.994 381 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 381 L C 2.432 179.489 176.870 0.311 0.000 1.071 381 L CA 1.621 56.583 54.840 0.203 0.000 0.745 381 L CB -0.865 41.295 42.059 0.168 0.000 0.892 381 L HN 0.072 nan 8.230 nan 0.000 0.431 382 V N -1.347 118.737 119.914 0.283 0.000 2.343 382 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 382 V C 2.204 178.558 176.094 0.434 0.000 1.051 382 V CA 1.849 64.333 62.300 0.307 0.000 1.036 382 V CB -0.994 30.935 31.823 0.176 0.000 0.654 382 V HN 0.709 nan 8.190 nan 0.000 0.451 383 W N 1.617 123.023 121.300 0.176 0.000 2.350 383 W HA -0.195 4.465 4.660 -0.000 0.000 0.289 383 W C 2.882 179.477 176.519 0.127 0.000 1.215 383 W CA 1.788 59.227 57.345 0.156 0.000 1.236 383 W CB -0.773 28.749 29.460 0.103 0.000 1.130 383 W HN 0.496 nan 8.180 nan 0.000 0.541 384 S N -1.279 114.590 115.700 0.281 0.000 2.442 384 S HA -0.256 4.214 4.470 -0.000 0.000 0.236 384 S C 1.636 176.188 174.600 -0.079 0.000 1.007 384 S CA 1.240 59.453 58.200 0.022 0.000 0.965 384 S CB -1.118 62.044 63.200 -0.064 0.000 0.773 384 S HN 0.293 nan 8.310 nan 0.000 0.504 385 Y N 0.983 121.280 120.300 -0.005 0.000 2.519 385 Y HA 0.211 4.761 4.550 -0.000 0.000 0.287 385 Y C 1.159 176.746 175.900 -0.522 0.000 1.128 385 Y CA 0.539 58.494 58.100 -0.241 0.000 1.282 385 Y CB 0.183 38.481 38.460 -0.269 0.000 1.027 385 Y HN 0.446 nan 8.280 nan 0.000 0.551 386 H N -0.454 118.804 119.070 0.314 0.000 2.597 386 H HA 0.192 4.747 4.556 -0.000 0.000 0.225 386 H C -2.037 173.502 175.328 0.351 0.000 1.422 386 H CA -1.527 54.686 56.048 0.275 0.000 1.335 386 H CB 0.543 30.461 29.762 0.260 0.000 1.783 386 H HN 0.145 nan 8.280 nan 0.000 0.513 387 P HA -0.125 nan 4.420 nan 0.000 0.226 387 P C 0.989 178.386 177.300 0.163 0.000 1.146 387 P CA 1.004 64.142 63.100 0.063 0.000 0.773 387 P CB 0.644 32.289 31.700 -0.091 0.000 0.772 388 E N -0.856 119.475 120.200 0.220 0.000 2.442 388 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 388 E C 0.731 177.476 176.600 0.243 0.000 1.030 388 E CA 0.044 56.555 56.400 0.185 0.000 0.869 388 E CB -0.534 29.243 29.700 0.128 0.000 0.857 388 E HN 0.282 nan 8.360 nan 0.000 0.505 389 c N 2.151 120.958 118.600 0.345 0.000 2.604 389 c HA 0.257 4.827 4.570 -0.000 0.000 0.396 389 c C 1.393 175.672 174.090 0.314 0.000 1.282 389 c CA -0.767 55.711 56.329 0.248 0.000 2.292 389 c CB 0.338 42.946 42.510 0.164 0.000 2.633 389 c HN 0.310 nan 8.230 nan 0.000 0.620 390 S N 1.942 117.720 115.700 0.129 0.000 2.632 390 S HA 0.467 4.937 4.470 -0.000 0.000 0.267 390 S C 0.950 175.478 174.600 -0.120 0.000 1.276 390 S CA -0.024 58.241 58.200 0.108 0.000 0.998 390 S CB 0.942 64.148 63.200 0.009 0.000 0.953 390 S HN 0.972 nan 8.310 nan 0.000 0.547 391 A N 1.847 124.607 122.820 -0.099 0.000 1.908 391 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 391 A C 2.366 179.800 177.584 -0.250 0.000 1.181 391 A CA 2.122 53.953 52.037 -0.343 0.000 0.627 391 A CB -1.666 17.330 19.000 -0.006 0.000 0.818 391 A HN 0.853 nan 8.150 nan 0.000 0.445 392 S N -0.466 115.090 115.700 -0.241 0.000 2.368 392 S HA -0.216 4.254 4.470 -0.000 0.000 0.225 392 S C 2.100 176.659 174.600 -0.070 0.000 1.030 392 S CA 1.635 59.765 58.200 -0.118 0.000 0.999 392 S CB -0.319 62.754 63.200 -0.212 0.000 0.844 392 S HN 0.720 nan 8.310 nan 0.000 0.459 393 Q N 0.201 119.933 119.800 -0.113 0.000 2.119 393 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 393 Q C 2.267 178.180 176.000 -0.145 0.000 0.972 393 Q CA 1.144 56.901 55.803 -0.076 0.000 0.847 393 Q CB -0.229 28.487 28.738 -0.037 0.000 0.903 393 Q HN 0.362 nan 8.270 nan 0.000 0.433 394 V N 0.823 120.552 119.914 -0.308 0.000 2.358 394 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 394 V C 2.308 178.239 176.094 -0.272 0.000 1.047 394 V CA 1.916 63.981 62.300 -0.391 0.000 1.035 394 V CB -0.570 30.761 31.823 -0.821 0.000 0.658 394 V HN 0.316 nan 8.190 nan 0.000 0.452 395 R N 0.452 120.833 120.500 -0.199 0.000 2.083 395 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 395 R C 2.286 178.506 176.300 -0.133 0.000 1.137 395 R CA 1.880 57.921 56.100 -0.098 0.000 0.951 395 R CB -0.498 29.822 30.300 0.034 0.000 0.851 395 R HN 0.475 nan 8.270 nan 0.000 0.434 396 A N 0.559 123.299 122.820 -0.134 0.000 1.933 396 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 396 A C 2.347 179.689 177.584 -0.403 0.000 1.175 396 A CA 1.672 53.599 52.037 -0.184 0.000 0.628 396 A CB -0.732 18.221 19.000 -0.078 0.000 0.814 396 A HN 0.571 nan 8.150 nan 0.000 0.444 397 A N -0.157 122.342 122.820 -0.536 0.000 1.902 397 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 397 A C 2.154 179.373 177.584 -0.609 0.000 1.181 397 A CA 1.445 52.857 52.037 -1.042 0.000 0.623 397 A CB -0.590 17.997 19.000 -0.688 0.000 0.818 397 A HN 0.476 nan 8.150 nan 0.000 0.443 398 L N -0.252 120.770 121.223 -0.335 0.000 2.046 398 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 398 L C 2.288 179.049 176.870 -0.182 0.000 1.077 398 L CA 1.315 56.039 54.840 -0.192 0.000 0.747 398 L CB -0.705 41.294 42.059 -0.101 0.000 0.896 398 L HN 0.383 nan 8.230 nan 0.000 0.432 399 N N 0.418 118.978 118.700 -0.233 0.000 2.171 399 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 399 N C 1.879 177.142 175.510 -0.412 0.000 1.021 399 N CA 1.473 54.342 53.050 -0.301 0.000 0.854 399 N CB -0.286 37.922 38.487 -0.465 0.000 0.994 399 N HN 0.272 nan 8.380 nan 0.000 0.426 400 A N 0.302 122.872 122.820 -0.417 0.000 2.070 400 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 400 A C 1.935 179.414 177.584 -0.175 0.000 1.159 400 A CA 1.909 53.764 52.037 -0.304 0.000 0.656 400 A CB -0.565 18.276 19.000 -0.266 0.000 0.800 400 A HN 0.480 nan 8.150 nan 0.000 0.453 401 T N -3.705 110.735 114.554 -0.189 0.000 3.085 401 T HA 0.612 4.962 4.350 -0.000 0.000 0.264 401 T C 0.599 175.277 174.700 -0.036 0.000 1.019 401 T CA 0.358 62.408 62.100 -0.084 0.000 0.910 401 T CB -0.175 68.642 68.868 -0.085 0.000 1.059 401 T HN 0.550 nan 8.240 nan 0.000 0.542 402 A N 1.650 124.454 122.820 -0.026 0.000 2.445 402 A HA 0.391 4.711 4.320 -0.000 0.000 0.242 402 A C -0.002 177.611 177.584 0.049 0.000 1.075 402 A CA -0.402 51.654 52.037 0.032 0.000 0.777 402 A CB 0.051 19.099 19.000 0.081 0.000 1.013 402 A HN 0.438 nan 8.150 nan 0.000 0.493 403 D N 1.810 122.243 120.400 0.056 0.000 2.336 403 D HA 0.125 4.765 4.640 -0.000 0.000 0.249 403 D C -0.403 175.934 176.300 0.063 0.000 1.213 403 D CA 0.199 54.230 54.000 0.051 0.000 0.870 403 D CB 0.877 41.704 40.800 0.046 0.000 1.076 403 D HN 0.538 nan 8.370 nan 0.000 0.483 404 D N 2.648 123.084 120.400 0.061 0.000 2.531 404 D HA 0.006 4.645 4.640 -0.000 0.000 0.239 404 D C -0.304 176.021 176.300 0.042 0.000 1.144 404 D CA 0.482 54.518 54.000 0.060 0.000 0.869 404 D CB 0.567 41.399 40.800 0.054 0.000 1.160 404 D HN 0.301 nan 8.370 nan 0.000 0.484 405 L N 2.315 123.559 121.223 0.035 0.000 2.271 405 L HA 0.418 4.758 4.340 -0.000 0.000 0.265 405 L C 1.184 178.053 176.870 -0.002 0.000 1.013 405 L CA -1.121 53.734 54.840 0.025 0.000 0.820 405 L CB 1.227 43.310 42.059 0.040 0.000 1.352 405 L HN 0.616 nan 8.230 nan 0.000 0.443 406 S N -0.138 115.557 115.700 -0.010 0.000 3.711 406 S HA -0.205 4.265 4.470 -0.000 0.000 0.625 406 S C 0.010 174.590 174.600 -0.034 0.000 2.458 406 S CA 0.980 59.159 58.200 -0.036 0.000 4.059 406 S CB -1.094 62.062 63.200 -0.074 0.000 0.257 406 S HN 1.058 nan 8.310 nan 0.000 0.974 407 V N 1.192 121.076 119.914 -0.050 0.000 2.963 407 V HA 0.677 4.797 4.120 -0.000 0.000 0.306 407 V C 0.913 176.991 176.094 -0.026 0.000 1.077 407 V CA -0.188 62.088 62.300 -0.040 0.000 1.124 407 V CB -0.193 31.600 31.823 -0.051 0.000 0.987 407 V HN 1.737 nan 8.190 nan 0.000 0.487 408 A N 3.461 126.272 122.820 -0.015 0.000 2.540 408 A HA 0.555 4.875 4.320 -0.000 0.000 0.239 408 A C 1.177 178.761 177.584 -0.000 0.000 1.061 408 A CA 0.730 52.767 52.037 -0.001 0.000 0.758 408 A CB -1.059 17.942 19.000 0.002 0.000 0.991 408 A HN 2.967 nan 8.150 nan 0.000 0.502 409 G N 0.982 109.793 108.800 0.019 0.000 2.728 409 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.294 409 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.294 409 G C 0.038 174.931 174.900 -0.011 0.000 1.342 409 G CA 0.020 45.138 45.100 0.029 0.000 0.866 409 G HN 1.294 nan 8.290 nan 0.000 0.534 410 R N 0.739 121.205 120.500 -0.055 0.000 2.537 410 R HA 0.456 4.796 4.340 -0.000 0.000 0.280 410 R C 0.137 176.333 176.300 -0.173 0.000 1.058 410 R CA 0.803 56.758 56.100 -0.243 0.000 1.057 410 R CB -0.071 29.912 30.300 -0.529 0.000 0.973 410 R HN 0.786 nan 8.270 nan 0.000 0.438 411 D N 0.794 121.090 120.400 -0.174 0.000 2.581 411 D HA 0.129 4.769 4.640 -0.000 0.000 0.232 411 D C -0.262 175.961 176.300 -0.129 0.000 1.143 411 D CA -0.867 53.054 54.000 -0.131 0.000 0.881 411 D CB 1.164 41.893 40.800 -0.119 0.000 1.500 411 D HN 0.480 nan 8.370 nan 0.000 0.458 412 N N -0.585 118.060 118.700 -0.091 0.000 2.453 412 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 412 N C 0.888 176.373 175.510 -0.042 0.000 1.041 412 N CA 0.671 53.696 53.050 -0.042 0.000 0.900 412 N CB 0.097 38.603 38.487 0.032 0.000 0.961 412 N HN 0.379 nan 8.380 nan 0.000 0.443 413 Q N -0.555 119.144 119.800 -0.168 0.000 2.123 413 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 413 Q C 1.854 177.750 176.000 -0.173 0.000 0.958 413 Q CA 1.235 56.816 55.803 -0.370 0.000 0.841 413 Q CB 0.141 28.397 28.738 -0.803 0.000 0.915 413 Q HN 0.408 nan 8.270 nan 0.000 0.455 414 T N -4.168 110.317 114.554 -0.114 0.000 3.043 414 T HA 0.532 4.882 4.350 -0.000 0.000 0.272 414 T C 1.032 175.716 174.700 -0.026 0.000 0.990 414 T CA 0.102 62.191 62.100 -0.017 0.000 0.897 414 T CB 0.396 69.263 68.868 -0.003 0.000 1.111 414 T HN 0.359 nan 8.240 nan 0.000 0.529 415 G N 1.866 110.611 108.800 -0.092 0.000 2.574 415 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.286 415 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.286 415 G C 0.243 175.006 174.900 -0.228 0.000 1.212 415 G CA 0.484 45.475 45.100 -0.182 0.000 0.979 415 G HN 0.366 nan 8.290 nan 0.000 0.557 416 Y N 2.527 122.832 120.300 0.008 0.000 2.583 416 Y HA 0.380 4.930 4.550 -0.000 0.000 0.293 416 Y C 2.039 177.944 175.900 0.009 0.000 1.157 416 Y CA 2.037 60.139 58.100 0.004 0.000 1.315 416 Y CB -0.180 38.277 38.460 -0.004 0.000 1.021 416 Y HN 1.687 nan 8.280 nan 0.000 0.536 417 G N -0.269 108.605 108.800 0.123 0.000 2.318 417 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.367 417 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.367 417 G C -1.077 173.884 174.900 0.101 0.000 1.260 417 G CA -0.714 44.443 45.100 0.096 0.000 1.055 417 G HN -0.046 nan 8.290 nan 0.000 0.484 418 M N 1.182 120.841 119.600 0.098 0.000 2.188 418 M HA 0.608 5.088 4.480 -0.000 0.000 0.354 418 M C 0.622 176.979 176.300 0.094 0.000 1.342 418 M CA -0.683 54.682 55.300 0.109 0.000 1.117 418 M CB 0.435 33.114 32.600 0.133 0.000 1.670 418 M HN 0.725 nan 8.290 nan 0.000 0.466 419 I N 5.512 126.137 120.570 0.093 0.000 2.815 419 I HA -0.002 4.168 4.170 -0.000 0.000 0.291 419 I C -0.378 175.782 176.117 0.072 0.000 1.209 419 I CA 0.511 61.856 61.300 0.074 0.000 1.431 419 I CB 0.124 38.173 38.000 0.081 0.000 1.351 419 I HN 0.739 nan 8.210 nan 0.000 0.585 420 N N 6.030 124.757 118.700 0.046 0.000 2.576 420 N HA 0.339 5.079 4.740 -0.000 0.000 0.269 420 N C 0.200 175.727 175.510 0.028 0.000 1.058 420 N CA 0.018 53.092 53.050 0.040 0.000 0.860 420 N CB 1.819 40.322 38.487 0.026 0.000 1.249 420 N HN 0.766 nan 8.380 nan 0.000 0.525 421 A N 2.971 125.815 122.820 0.041 0.000 1.883 421 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 421 A C 1.857 179.445 177.584 0.007 0.000 1.186 421 A CA 1.775 53.833 52.037 0.035 0.000 0.624 421 A CB -0.495 18.537 19.000 0.053 0.000 0.822 421 A HN 0.450 nan 8.150 nan 0.000 0.444 422 V N -0.203 119.712 119.914 0.002 0.000 2.343 422 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 422 V C 3.045 179.133 176.094 -0.009 0.000 1.051 422 V CA 1.990 64.279 62.300 -0.019 0.000 1.036 422 V CB -1.242 30.575 31.823 -0.011 0.000 0.654 422 V HN 0.625 nan 8.190 nan 0.000 0.451 423 A N -0.103 122.719 122.820 0.004 0.000 1.930 423 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 423 A C 2.409 180.009 177.584 0.026 0.000 1.175 423 A CA 1.915 53.962 52.037 0.016 0.000 0.627 423 A CB -0.707 18.300 19.000 0.013 0.000 0.815 423 A HN 0.559 nan 8.150 nan 0.000 0.443 424 A N -0.317 122.502 122.820 -0.001 0.000 1.933 424 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 424 A C 2.172 179.785 177.584 0.048 0.000 1.175 424 A CA 1.874 53.895 52.037 -0.025 0.000 0.628 424 A CB -0.386 18.584 19.000 -0.049 0.000 0.814 424 A HN 0.388 nan 8.150 nan 0.000 0.444 425 K N 0.143 120.564 120.400 0.035 0.000 2.057 425 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 425 K C 2.130 178.778 176.600 0.080 0.000 1.050 425 K CA 1.375 57.690 56.287 0.046 0.000 0.935 425 K CB -0.450 31.974 32.500 -0.127 0.000 0.715 425 K HN 0.345 nan 8.250 nan 0.000 0.439 426 A N 0.345 123.195 122.820 0.050 0.000 1.933 426 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 426 A C 2.136 179.766 177.584 0.076 0.000 1.175 426 A CA 1.402 53.469 52.037 0.051 0.000 0.628 426 A CB -0.803 18.218 19.000 0.034 0.000 0.814 426 A HN 0.560 nan 8.150 nan 0.000 0.444 427 Y N 0.394 120.666 120.300 -0.046 0.000 2.114 427 Y HA -0.149 4.401 4.550 -0.000 0.000 0.284 427 Y C 1.886 177.719 175.900 -0.112 0.000 1.143 427 Y CA 1.981 60.041 58.100 -0.067 0.000 1.135 427 Y CB -0.206 38.215 38.460 -0.065 0.000 0.980 427 Y HN 0.197 nan 8.280 nan 0.000 0.499 428 L N 0.047 121.371 121.223 0.168 0.000 2.291 428 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 428 L C 1.727 178.286 176.870 -0.520 0.000 1.120 428 L CA 0.857 55.587 54.840 -0.183 0.000 0.799 428 L CB -0.501 41.437 42.059 -0.200 0.000 0.925 428 L HN 0.228 nan 8.230 nan 0.000 0.446 429 D N 0.269 120.574 120.400 -0.158 0.000 2.178 429 D HA -0.169 4.470 4.640 -0.000 0.000 0.201 429 D C 2.106 178.375 176.300 -0.051 0.000 0.980 429 D CA 1.023 55.035 54.000 0.021 0.000 0.842 429 D CB 0.130 40.996 40.800 0.110 0.000 0.948 429 D HN 0.382 nan 8.370 nan 0.000 0.472 430 E N -0.170 119.959 120.200 -0.117 0.000 2.046 430 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 430 E C 0.766 177.281 176.600 -0.142 0.000 0.982 430 E CA 0.765 57.091 56.400 -0.124 0.000 0.800 430 E CB 0.236 29.834 29.700 -0.170 0.000 0.756 430 E HN 0.220 nan 8.360 nan 0.000 0.449 431 S N -2.317 113.255 115.700 -0.213 0.000 2.645 431 S HA 0.070 4.540 4.470 -0.000 0.000 0.268 431 S C 0.342 174.824 174.600 -0.197 0.000 1.110 431 S CA -0.716 57.380 58.200 -0.172 0.000 0.823 431 S CB 0.490 63.608 63.200 -0.137 0.000 1.091 431 S HN 0.150 nan 8.310 nan 0.000 0.466 432 c N 1.566 120.101 118.600 -0.109 0.000 2.422 432 c HA 0.088 4.658 4.570 -0.000 0.000 0.286 432 c C 2.481 176.566 174.090 -0.008 0.000 1.412 432 c CA 1.316 57.618 56.329 -0.045 0.000 1.786 432 c CB -1.823 40.690 42.510 0.005 0.000 1.835 432 c HN 0.993 nan 8.230 nan 0.000 0.533 433 T N -2.661 111.837 114.554 -0.092 0.000 3.092 433 T HA 0.482 4.832 4.350 -0.000 0.000 0.258 433 T C 0.950 175.431 174.700 -0.366 0.000 1.031 433 T CA 0.774 62.823 62.100 -0.086 0.000 0.925 433 T CB 0.142 68.972 68.868 -0.063 0.000 1.036 433 T HN 0.887 nan 8.240 nan 0.000 0.544 434 G N 2.659 111.005 108.800 -0.757 0.000 2.642 434 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.231 434 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.231 434 G C -2.764 171.780 174.900 -0.594 0.000 1.338 434 G CA -0.579 43.711 45.100 -1.350 0.000 0.883 434 G HN 0.491 nan 8.290 nan 0.000 0.570 435 P HA 0.320 nan 4.420 nan 0.000 0.269 435 P C 0.646 177.848 177.300 -0.162 0.000 1.215 435 P CA 0.918 63.883 63.100 -0.225 0.000 0.780 435 P CB 0.660 32.270 31.700 -0.150 0.000 0.898 436 T N 0.000 114.488 114.554 -0.109 0.000 3.816 436 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 436 T CA 0.000 62.054 62.100 -0.076 0.000 1.349 436 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658