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 2iou_1_E DATA FIRST_RESID 5 DATA SEQUENCE VQFRGGTTAQ HATFTGAARE ITVDTDKNTV VVHDGATAGG FPLARHDLVK DATA SEQUENCE TAFIKADKSA VAFTRTGNAT ASIKAGTIVE VNGKLVQFTA DTAITMPALT DATA SEQUENCE AGTDYAIYVC DDGTVRADSN FSAPTGYTST TARKVGGFHY APGSNAAAQA DATA SEQUENCE GGNTTAQINE YSLWDIKFRP AALDPRGMTL VAGAFWADIY LLGVNHLTDG DATA SEQUENCE TSKYNVTIAD GSASPKKSTK FGGDGSAAYS DGAWYNFAEV MTHHGKRLPN DATA SEQUENCE YNEFQALAFG TTEATSSGGT DVPTTGVNGT GATSAWNIFT SKWGVVQASG DATA SEQUENCE CLWTWGNEFG GVNGASEYTA NTGGRGSVYA QPAAALFGGA WNGTSLSGSR DATA SEQUENCE AALWYSGPSF SFAFFGARGV CDHLIL 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.060 176.094 -0.057 0.000 1.182 5 V CA 0.000 62.265 62.300 -0.058 0.000 1.235 5 V CB 0.000 31.793 31.823 -0.051 0.000 1.184 6 Q N 3.574 123.307 119.800 -0.113 0.000 2.331 6 Q HA 0.772 5.112 4.340 0.000 0.000 0.267 6 Q C -1.041 174.897 176.000 -0.102 0.000 1.006 6 Q CA -0.403 55.391 55.803 -0.015 0.000 0.818 6 Q CB 2.727 31.475 28.738 0.017 0.000 1.276 6 Q HN 0.640 nan 8.270 nan 0.000 0.450 7 F N 0.360 120.325 119.950 0.026 0.000 2.362 7 F HA 0.346 4.873 4.527 0.000 0.000 0.311 7 F C 1.093 176.909 175.800 0.026 0.000 1.161 7 F CA -0.846 57.173 58.000 0.033 0.000 1.085 7 F CB 0.669 39.700 39.000 0.052 0.000 1.311 7 F HN 0.224 nan 8.300 nan 0.000 0.524 8 R N 1.194 121.833 120.500 0.232 0.000 2.402 8 R HA 0.129 4.469 4.340 0.000 0.000 0.331 8 R C 0.234 176.593 176.300 0.099 0.000 1.040 8 R CA -0.035 56.122 56.100 0.095 0.000 0.980 8 R CB -0.231 30.095 30.300 0.043 0.000 0.967 8 R HN 0.879 nan 8.270 nan 0.000 0.440 9 G N 1.109 109.943 108.800 0.057 0.000 2.508 9 G HA2 0.576 4.536 3.960 0.000 0.000 0.278 9 G HA3 0.576 4.536 3.960 0.000 0.000 0.278 9 G C -0.272 174.644 174.900 0.026 0.000 1.389 9 G CA 0.113 45.259 45.100 0.077 0.000 1.050 9 G HN 0.759 nan 8.290 nan 0.000 0.522 10 G N -2.261 106.593 108.800 0.091 0.000 2.329 10 G HA2 0.527 4.487 3.960 0.000 0.000 0.308 10 G HA3 0.527 4.487 3.960 0.000 0.000 0.308 10 G C -0.381 174.657 174.900 0.231 0.000 1.587 10 G CA 0.091 45.237 45.100 0.077 0.000 0.978 10 G HN 1.353 nan 8.290 nan 0.000 0.685 11 T N -1.353 113.303 114.554 0.171 0.000 2.918 11 T HA 0.572 4.922 4.350 0.000 0.000 0.283 11 T C 1.706 176.545 174.700 0.232 0.000 1.001 11 T CA 0.699 62.891 62.100 0.154 0.000 1.041 11 T CB 1.372 70.288 68.868 0.080 0.000 1.028 11 T HN 0.735 nan 8.240 nan 0.000 0.511 12 T N 1.650 116.271 114.554 0.112 0.000 2.699 12 T HA -0.138 4.212 4.350 0.000 0.000 0.268 12 T C 2.378 177.149 174.700 0.117 0.000 1.036 12 T CA 1.577 63.722 62.100 0.076 0.000 1.147 12 T CB -0.861 68.015 68.868 0.012 0.000 0.862 12 T HN 0.834 nan 8.240 nan 0.000 0.446 13 A N 1.284 124.159 122.820 0.090 0.000 1.908 13 A HA -0.196 4.125 4.320 0.000 0.000 0.218 13 A C 2.324 179.964 177.584 0.093 0.000 1.181 13 A CA 1.644 53.726 52.037 0.075 0.000 0.627 13 A CB -0.616 18.414 19.000 0.050 0.000 0.818 13 A HN 0.565 nan 8.150 nan 0.000 0.445 14 Q N -1.707 118.158 119.800 0.108 0.000 2.083 14 Q HA -0.151 4.189 4.340 0.000 0.000 0.198 14 Q C 1.993 178.062 176.000 0.115 0.000 0.969 14 Q CA 1.469 57.314 55.803 0.069 0.000 0.838 14 Q CB -0.222 28.517 28.738 0.003 0.000 0.900 14 Q HN 0.854 nan 8.270 nan 0.000 0.436 15 H N 0.450 119.591 119.070 0.119 0.000 2.387 15 H HA -0.120 4.436 4.556 0.000 0.000 0.299 15 H C 1.983 177.416 175.328 0.175 0.000 1.099 15 H CA 1.382 57.566 56.048 0.227 0.000 1.315 15 H CB -0.234 29.633 29.762 0.174 0.000 1.380 15 H HN 0.350 nan 8.280 nan 0.000 0.513 16 A N 0.187 123.137 122.820 0.217 0.000 1.915 16 A HA -0.231 4.089 4.320 0.000 0.000 0.220 16 A C 1.708 179.350 177.584 0.096 0.000 1.198 16 A CA 2.270 54.378 52.037 0.119 0.000 0.647 16 A CB -0.881 18.168 19.000 0.082 0.000 0.825 16 A HN 0.529 nan 8.150 nan 0.000 0.456 17 T N -4.039 110.583 114.554 0.113 0.000 3.377 17 T HA 0.545 4.895 4.350 0.000 0.000 0.270 17 T C -0.693 174.107 174.700 0.167 0.000 1.586 17 T CA -0.384 61.773 62.100 0.095 0.000 1.487 17 T CB -0.346 68.560 68.868 0.064 0.000 0.994 17 T HN 0.495 nan 8.240 nan 0.000 0.689 18 F N 1.308 121.258 119.950 -0.000 0.000 2.585 18 F HA 0.582 5.110 4.527 0.000 0.000 0.319 18 F C -1.198 174.608 175.800 0.011 0.000 1.165 18 F CA -0.823 57.162 58.000 -0.024 0.000 0.949 18 F CB 1.897 40.848 39.000 -0.081 0.000 1.218 18 F HN 0.112 nan 8.300 nan 0.000 0.453 19 T N 5.566 119.774 114.554 -0.577 0.000 2.801 19 T HA 0.580 4.930 4.350 0.000 0.000 0.306 19 T C 0.496 174.672 174.700 -0.874 0.000 1.020 19 T CA -0.384 61.356 62.100 -0.601 0.000 0.948 19 T CB 0.827 69.556 68.868 -0.231 0.000 0.962 19 T HN 0.918 nan 8.240 nan 0.000 0.465 20 G N 1.904 109.986 108.800 -1.196 0.000 2.599 20 G HA2 0.564 4.524 3.960 0.000 0.000 0.264 20 G HA3 0.564 4.524 3.960 0.000 0.000 0.264 20 G C 0.070 174.799 174.900 -0.285 0.000 1.200 20 G CA -0.773 43.785 45.100 -0.904 0.000 0.896 20 G HN 0.933 nan 8.290 nan 0.000 0.536 21 A N -0.208 122.536 122.820 -0.127 0.000 2.351 21 A HA 0.627 4.947 4.320 0.000 0.000 0.257 21 A C 1.045 178.651 177.584 0.037 0.000 1.087 21 A CA 0.250 52.274 52.037 -0.022 0.000 0.798 21 A CB 0.101 19.105 19.000 0.007 0.000 1.033 21 A HN 2.030 nan 8.150 nan 0.000 0.488 22 A N 2.040 124.889 122.820 0.049 0.000 2.532 22 A HA 0.334 4.654 4.320 0.000 0.000 0.269 22 A C 1.124 178.758 177.584 0.084 0.000 1.079 22 A CA 0.895 52.977 52.037 0.076 0.000 0.800 22 A CB -0.798 18.235 19.000 0.056 0.000 1.000 22 A HN 1.240 nan 8.150 nan 0.000 0.522 23 R N -0.017 120.554 120.500 0.118 0.000 3.763 23 R HA -0.135 4.205 4.340 0.000 0.000 0.449 23 R C 0.157 176.536 176.300 0.132 0.000 1.030 23 R CA 1.114 57.282 56.100 0.114 0.000 1.126 23 R CB -1.879 28.469 30.300 0.080 0.000 1.786 23 R HN 0.907 nan 8.270 nan 0.000 0.522 24 E N 1.514 121.803 120.200 0.148 0.000 2.392 24 E HA 0.315 4.665 4.350 0.000 0.000 0.264 24 E C -0.492 176.268 176.600 0.268 0.000 1.024 24 E CA 0.033 56.529 56.400 0.159 0.000 0.903 24 E CB 0.594 30.329 29.700 0.058 0.000 0.963 24 E HN 0.196 nan 8.360 nan 0.000 0.432 25 I N 3.851 124.574 120.570 0.255 0.000 2.418 25 I HA 0.220 4.390 4.170 0.000 0.000 0.287 25 I C 0.078 176.369 176.117 0.289 0.000 1.008 25 I CA -0.413 61.039 61.300 0.253 0.000 1.104 25 I CB 1.865 39.930 38.000 0.109 0.000 1.264 25 I HN 0.599 nan 8.210 nan 0.000 0.438 26 T N 2.946 117.720 114.554 0.365 0.000 2.927 26 T HA 0.758 5.108 4.350 0.000 0.000 0.286 26 T C -0.623 174.248 174.700 0.285 0.000 1.040 26 T CA -0.776 61.546 62.100 0.371 0.000 1.010 26 T CB 2.039 71.234 68.868 0.545 0.000 1.177 26 T HN 0.157 nan 8.240 nan 0.000 0.546 27 V N 1.624 121.709 119.914 0.285 0.000 2.487 27 V HA 0.387 4.507 4.120 0.000 0.000 0.298 27 V C -0.605 175.623 176.094 0.223 0.000 1.028 27 V CA -0.856 61.552 62.300 0.180 0.000 0.860 27 V CB 1.584 33.483 31.823 0.127 0.000 0.991 27 V HN 1.026 nan 8.190 nan 0.000 0.427 28 D N 3.429 123.844 120.400 0.025 0.000 2.336 28 D HA 0.107 4.747 4.640 0.000 0.000 0.249 28 D C 1.302 177.610 176.300 0.013 0.000 1.213 28 D CA 0.056 54.005 54.000 -0.086 0.000 0.870 28 D CB 1.820 42.436 40.800 -0.306 0.000 1.076 28 D HN 0.721 nan 8.370 nan 0.000 0.483 29 T N 0.624 115.219 114.554 0.070 0.000 3.055 29 T HA -0.075 4.275 4.350 0.000 0.000 0.265 29 T C 1.085 175.804 174.700 0.031 0.000 1.111 29 T CA 0.337 62.469 62.100 0.052 0.000 1.118 29 T CB 0.388 69.294 68.868 0.062 0.000 0.909 29 T HN 0.229 nan 8.240 nan 0.000 0.501 30 D N 2.277 122.691 120.400 0.023 0.000 2.087 30 D HA 0.001 4.641 4.640 0.000 0.000 0.201 30 D C 2.122 178.422 176.300 -0.000 0.000 0.980 30 D CA 1.059 55.066 54.000 0.012 0.000 0.849 30 D CB -0.149 40.657 40.800 0.010 0.000 1.001 30 D HN 0.368 nan 8.370 nan 0.000 0.452 31 K N 0.465 120.853 120.400 -0.020 0.000 2.280 31 K HA -0.050 4.270 4.320 0.000 0.000 0.202 31 K C 0.067 176.659 176.600 -0.013 0.000 1.047 31 K CA 0.273 56.545 56.287 -0.024 0.000 0.942 31 K CB -0.224 32.246 32.500 -0.050 0.000 0.739 31 K HN 0.233 nan 8.250 nan 0.000 0.457 32 N N 0.840 119.535 118.700 -0.007 0.000 2.727 32 N HA -0.165 4.575 4.740 0.000 0.000 0.251 32 N C -0.802 174.706 175.510 -0.003 0.000 1.040 32 N CA 0.499 53.551 53.050 0.003 0.000 0.712 32 N CB -0.548 37.946 38.487 0.011 0.000 0.912 32 N HN 0.211 nan 8.380 nan 0.000 0.545 33 T N -1.016 113.528 114.554 -0.017 0.000 2.816 33 T HA 0.488 4.838 4.350 0.000 0.000 0.299 33 T C -0.578 174.106 174.700 -0.026 0.000 1.230 33 T CA -0.493 61.594 62.100 -0.021 0.000 1.007 33 T CB 1.865 70.717 68.868 -0.027 0.000 1.289 33 T HN -0.069 nan 8.240 nan 0.000 0.508 34 V N 2.582 122.480 119.914 -0.025 0.000 2.607 34 V HA 0.526 4.646 4.120 0.000 0.000 0.289 34 V C -0.201 175.889 176.094 -0.007 0.000 1.053 34 V CA -0.355 61.934 62.300 -0.018 0.000 0.996 34 V CB 1.502 33.301 31.823 -0.041 0.000 0.995 34 V HN 0.673 nan 8.190 nan 0.000 0.476 35 V N 5.504 125.439 119.914 0.035 0.000 2.407 35 V HA 0.359 4.479 4.120 0.000 0.000 0.291 35 V C 0.007 176.102 176.094 0.001 0.000 1.018 35 V CA -0.604 61.693 62.300 -0.005 0.000 0.842 35 V CB 1.668 33.495 31.823 0.006 0.000 0.996 35 V HN 0.607 nan 8.190 nan 0.000 0.426 36 V N 5.165 125.073 119.914 -0.010 0.000 2.881 36 V HA 0.374 4.494 4.120 0.000 0.000 0.303 36 V C 0.127 176.153 176.094 -0.114 0.000 1.070 36 V CA -0.259 62.079 62.300 0.063 0.000 1.074 36 V CB 0.873 32.778 31.823 0.136 0.000 1.012 36 V HN 0.807 nan 8.190 nan 0.000 0.482 37 H N 2.726 121.878 119.070 0.138 0.000 2.834 37 H HA 0.399 4.955 4.556 0.000 0.000 0.369 37 H C -0.466 174.948 175.328 0.143 0.000 1.174 37 H CA -0.509 55.573 56.048 0.058 0.000 1.165 37 H CB 2.456 32.182 29.762 -0.060 0.000 1.820 37 H HN 0.823 nan 8.280 nan 0.000 0.558 38 D N -0.880 119.669 120.400 0.248 0.000 2.520 38 D HA 0.112 4.752 4.640 0.000 0.000 0.223 38 D C 1.396 177.767 176.300 0.118 0.000 1.186 38 D CA 0.562 54.696 54.000 0.224 0.000 0.821 38 D CB 0.693 41.716 40.800 0.371 0.000 1.072 38 D HN 0.919 nan 8.370 nan 0.000 0.518 39 G N 0.507 109.349 108.800 0.070 0.000 2.268 39 G HA2 -0.310 3.651 3.960 0.000 0.000 0.240 39 G HA3 -0.310 3.651 3.960 0.000 0.000 0.240 39 G C 1.124 176.022 174.900 -0.003 0.000 1.010 39 G CA 0.442 45.553 45.100 0.018 0.000 0.618 39 G HN 0.884 nan 8.290 nan 0.000 0.516 40 A N -0.704 122.125 122.820 0.015 0.000 1.999 40 A HA 0.592 4.912 4.320 0.000 0.000 0.200 40 A C 1.195 178.761 177.584 -0.030 0.000 1.363 40 A CA 1.887 53.926 52.037 0.004 0.000 0.844 40 A CB 0.126 19.147 19.000 0.035 0.000 0.954 40 A HN 0.892 nan 8.150 nan 0.000 0.481 41 T N 1.845 116.365 114.554 -0.058 0.000 2.780 41 T HA 0.578 4.928 4.350 0.000 0.000 0.294 41 T C 0.320 174.898 174.700 -0.203 0.000 0.949 41 T CA 0.071 62.090 62.100 -0.134 0.000 1.074 41 T CB 1.304 70.035 68.868 -0.229 0.000 0.910 41 T HN 0.590 nan 8.240 nan 0.000 0.501 42 A N 2.367 125.102 122.820 -0.142 0.000 2.520 42 A HA 0.507 4.827 4.320 0.000 0.000 0.235 42 A C 1.741 179.229 177.584 -0.159 0.000 1.065 42 A CA 0.251 52.214 52.037 -0.123 0.000 0.764 42 A CB -0.929 18.037 19.000 -0.056 0.000 1.002 42 A HN 1.725 nan 8.150 nan 0.000 0.502 43 G N 0.878 109.625 108.800 -0.087 0.000 2.322 43 G HA2 0.061 4.021 3.960 0.000 0.000 0.264 43 G HA3 0.061 4.021 3.960 0.000 0.000 0.264 43 G C 1.913 176.683 174.900 -0.217 0.000 0.992 43 G CA 1.166 46.242 45.100 -0.040 0.000 0.624 43 G HN 3.075 nan 8.290 nan 0.000 0.543 44 G N -0.854 107.644 108.800 -0.503 0.000 2.601 44 G HA2 0.085 4.045 3.960 0.000 0.000 0.261 44 G HA3 0.085 4.045 3.960 0.000 0.000 0.261 44 G C -0.146 174.158 174.900 -0.994 0.000 1.289 44 G CA 0.262 44.786 45.100 -0.959 0.000 0.920 44 G HN 1.375 nan 8.290 nan 0.000 0.571 45 F N 1.750 121.565 119.950 -0.226 0.000 2.451 45 F HA 0.475 5.002 4.527 0.000 0.000 0.367 45 F C -1.871 173.859 175.800 -0.117 0.000 1.100 45 F CA -1.810 56.112 58.000 -0.130 0.000 1.171 45 F CB 1.620 40.561 39.000 -0.099 0.000 1.405 45 F HN 0.180 nan 8.300 nan 0.000 0.482 46 P HA 0.051 nan 4.420 nan 0.000 0.266 46 P C -0.000 177.308 177.300 0.014 0.000 1.195 46 P CA 0.248 63.334 63.100 -0.022 0.000 0.768 46 P CB 1.008 32.675 31.700 -0.054 0.000 0.838 47 L N 1.386 122.610 121.223 0.002 0.000 2.431 47 L HA 0.579 4.919 4.340 0.000 0.000 0.260 47 L C 0.908 177.778 176.870 -0.001 0.000 1.098 47 L CA -1.132 53.711 54.840 0.005 0.000 0.800 47 L CB 0.587 42.648 42.059 0.002 0.000 1.210 47 L HN 0.337 nan 8.230 nan 0.000 0.465 48 A N 1.261 124.082 122.820 0.002 0.000 2.309 48 A HA 0.463 4.783 4.320 0.000 0.000 0.298 48 A C -0.139 177.451 177.584 0.011 0.000 1.165 48 A CA -0.611 51.426 52.037 0.000 0.000 0.821 48 A CB 0.501 19.497 19.000 -0.007 0.000 1.102 48 A HN 0.600 nan 8.150 nan 0.000 0.500 49 R N 0.711 121.218 120.500 0.012 0.000 2.594 49 R HA 0.068 4.408 4.340 0.000 0.000 0.272 49 R C 1.019 177.349 176.300 0.050 0.000 1.074 49 R CA -0.315 55.806 56.100 0.036 0.000 1.105 49 R CB 0.356 30.674 30.300 0.029 0.000 1.008 49 R HN 0.987 nan 8.270 nan 0.000 0.472 50 H N 2.020 121.094 119.070 0.006 0.000 2.457 50 H HA -0.107 4.449 4.556 0.000 0.000 0.294 50 H C 0.343 175.681 175.328 0.016 0.000 1.064 50 H CA 1.407 57.461 56.048 0.011 0.000 1.330 50 H CB 0.523 30.292 29.762 0.011 0.000 1.395 50 H HN 0.492 nan 8.280 nan 0.000 0.541 51 D N 0.898 121.358 120.400 0.099 0.000 2.149 51 D HA -0.143 4.497 4.640 0.000 0.000 0.198 51 D C 2.225 178.511 176.300 -0.024 0.000 0.990 51 D CA 0.598 54.633 54.000 0.058 0.000 0.839 51 D CB -0.195 40.642 40.800 0.062 0.000 0.948 51 D HN 0.409 nan 8.370 nan 0.000 0.460 52 L N 0.606 121.804 121.223 -0.042 0.000 2.622 52 L HA -0.038 4.302 4.340 0.000 0.000 0.233 52 L C 1.629 178.446 176.870 -0.087 0.000 1.156 52 L CA 0.248 55.060 54.840 -0.048 0.000 0.866 52 L CB 0.173 42.215 42.059 -0.028 0.000 0.980 52 L HN -0.008 nan 8.230 nan 0.000 0.448 53 V N -5.059 114.744 119.914 -0.185 0.000 3.253 53 V HA 0.207 4.327 4.120 0.000 0.000 0.320 53 V C 0.728 176.692 176.094 -0.215 0.000 1.442 53 V CA -0.646 61.533 62.300 -0.201 0.000 1.097 53 V CB -0.189 31.499 31.823 -0.224 0.000 1.008 53 V HN 0.093 nan 8.190 nan 0.000 0.463 54 K N 1.938 122.236 120.400 -0.170 0.000 2.414 54 K HA 0.282 4.602 4.320 0.000 0.000 0.272 54 K C 1.327 177.933 176.600 0.010 0.000 0.993 54 K CA 1.339 57.596 56.287 -0.050 0.000 0.964 54 K CB 0.385 32.899 32.500 0.024 0.000 0.925 54 K HN 0.880 nan 8.250 nan 0.000 0.487 55 T N -1.446 113.142 114.554 0.057 0.000 6.157 55 T HA -0.267 4.083 4.350 0.000 0.000 0.281 55 T C 0.155 174.917 174.700 0.104 0.000 2.039 55 T CA 0.561 62.709 62.100 0.079 0.000 3.312 55 T CB -2.285 66.619 68.868 0.060 0.000 1.589 55 T HN 0.756 nan 8.240 nan 0.000 1.129 56 A N 0.567 123.440 122.820 0.088 0.000 2.520 56 A HA 0.582 4.902 4.320 0.000 0.000 0.235 56 A C -0.127 177.595 177.584 0.228 0.000 1.065 56 A CA 0.360 52.464 52.037 0.111 0.000 0.764 56 A CB -0.010 19.018 19.000 0.046 0.000 1.002 56 A HN 1.429 nan 8.150 nan 0.000 0.502 57 F N 2.344 122.311 119.950 0.027 0.000 3.051 57 F HA 0.524 5.051 4.527 0.000 0.000 0.363 57 F C -1.320 174.494 175.800 0.024 0.000 1.257 57 F CA -0.691 57.329 58.000 0.033 0.000 1.126 57 F CB 0.951 39.975 39.000 0.039 0.000 1.476 57 F HN 0.366 nan 8.300 nan 0.000 0.576 58 I N 5.815 126.202 120.570 -0.305 0.000 2.378 58 I HA 0.409 4.579 4.170 0.000 0.000 0.291 58 I C -0.419 175.468 176.117 -0.384 0.000 0.992 58 I CA -0.325 60.833 61.300 -0.237 0.000 1.154 58 I CB 1.703 39.633 38.000 -0.116 0.000 1.315 58 I HN 0.387 nan 8.210 nan 0.000 0.448 59 K N 3.647 123.880 120.400 -0.278 0.000 2.156 59 K HA 0.686 5.006 4.320 0.000 0.000 0.250 59 K C 0.689 177.206 176.600 -0.139 0.000 0.955 59 K CA -0.665 55.470 56.287 -0.253 0.000 0.855 59 K CB 2.070 34.450 32.500 -0.200 0.000 1.101 59 K HN 0.657 nan 8.250 nan 0.000 0.434 60 A N 1.201 123.946 122.820 -0.125 0.000 1.855 60 A HA -0.111 4.209 4.320 0.000 0.000 0.215 60 A C 0.590 178.136 177.584 -0.064 0.000 1.191 60 A CA 1.523 53.511 52.037 -0.081 0.000 0.613 60 A CB -0.124 18.832 19.000 -0.073 0.000 0.829 60 A HN 0.706 nan 8.150 nan 0.000 0.442 61 D N -0.757 119.598 120.400 -0.075 0.000 2.427 61 D HA 0.282 4.922 4.640 0.000 0.000 0.226 61 D C 0.624 176.897 176.300 -0.044 0.000 1.076 61 D CA -0.370 53.597 54.000 -0.054 0.000 0.849 61 D CB 0.845 41.606 40.800 -0.065 0.000 1.052 61 D HN -0.005 nan 8.370 nan 0.000 0.515 62 K N 1.156 121.556 120.400 -0.000 0.000 2.211 62 K HA -0.055 4.265 4.320 0.000 0.000 0.203 62 K C 1.367 178.037 176.600 0.118 0.000 1.050 62 K CA 0.542 56.859 56.287 0.051 0.000 0.945 62 K CB -0.038 32.496 32.500 0.057 0.000 0.732 62 K HN 0.422 nan 8.250 nan 0.000 0.451 63 S N -0.377 115.383 115.700 0.101 0.000 2.660 63 S HA 0.391 4.861 4.470 0.000 0.000 0.227 63 S C 0.352 175.045 174.600 0.154 0.000 0.948 63 S CA -0.375 57.939 58.200 0.190 0.000 0.948 63 S CB 0.083 63.367 63.200 0.140 0.000 0.779 63 S HN 0.165 nan 8.310 nan 0.000 0.487 64 A N 0.275 123.030 122.820 -0.109 0.000 2.556 64 A HA 0.739 5.059 4.320 0.000 0.000 0.294 64 A C -0.343 176.722 177.584 -0.864 0.000 1.091 64 A CA -0.693 51.053 52.037 -0.486 0.000 0.704 64 A CB 1.190 20.044 19.000 -0.244 0.000 1.300 64 A HN 0.592 nan 8.150 nan 0.000 0.406 65 V N 1.283 120.486 119.914 -1.185 0.000 2.872 65 V HA 0.353 4.473 4.120 0.000 0.000 0.307 65 V C 1.392 177.196 176.094 -0.483 0.000 1.072 65 V CA 0.890 62.726 62.300 -0.773 0.000 1.148 65 V CB 1.292 32.915 31.823 -0.333 0.000 0.954 65 V HN 1.668 nan 8.190 nan 0.000 0.490 66 A N 5.934 128.396 122.820 -0.596 0.000 2.255 66 A HA 0.319 4.639 4.320 0.000 0.000 0.206 66 A C 0.125 177.185 177.584 -0.874 0.000 1.193 66 A CA 0.410 51.999 52.037 -0.747 0.000 0.794 66 A CB -0.693 17.848 19.000 -0.765 0.000 0.794 66 A HN 0.698 nan 8.150 nan 0.000 0.481 67 F N -2.127 117.765 119.950 -0.097 0.000 2.599 67 F HA 0.532 5.059 4.527 0.000 0.000 0.311 67 F C -0.018 175.710 175.800 -0.120 0.000 1.076 67 F CA -0.956 56.974 58.000 -0.116 0.000 0.937 67 F CB 1.575 40.510 39.000 -0.109 0.000 1.282 67 F HN -0.241 nan 8.300 nan 0.000 0.460 68 T N 1.013 115.605 114.554 0.064 0.000 2.807 68 T HA 0.396 4.746 4.350 0.000 0.000 0.279 68 T C -0.428 174.238 174.700 -0.056 0.000 0.993 68 T CA -0.819 61.270 62.100 -0.019 0.000 0.970 68 T CB 1.669 70.508 68.868 -0.047 0.000 0.950 68 T HN 0.568 nan 8.240 nan 0.000 0.441 69 R N 2.199 122.647 120.500 -0.087 0.000 2.296 69 R HA 0.180 4.520 4.340 0.000 0.000 0.323 69 R C 1.338 177.575 176.300 -0.104 0.000 1.067 69 R CA 0.072 56.096 56.100 -0.127 0.000 0.946 69 R CB 0.248 30.468 30.300 -0.134 0.000 0.991 69 R HN 0.921 nan 8.270 nan 0.000 0.448 70 T N 0.543 115.034 114.554 -0.105 0.000 2.976 70 T HA 0.227 4.577 4.350 0.000 0.000 0.257 70 T C 0.883 175.540 174.700 -0.071 0.000 1.051 70 T CA 0.484 62.536 62.100 -0.080 0.000 1.141 70 T CB 0.416 69.240 68.868 -0.073 0.000 0.881 70 T HN 0.576 nan 8.240 nan 0.000 0.461 71 G N -0.231 108.523 108.800 -0.077 0.000 2.649 71 G HA2 0.425 4.385 3.960 0.000 0.000 0.290 71 G HA3 0.425 4.385 3.960 0.000 0.000 0.290 71 G C -0.343 174.527 174.900 -0.050 0.000 1.426 71 G CA -0.664 44.402 45.100 -0.057 0.000 0.794 71 G HN -0.062 nan 8.290 nan 0.000 0.483 72 N N -0.261 118.423 118.700 -0.026 0.000 2.165 72 N HA -0.195 4.545 4.740 0.000 0.000 0.198 72 N C 1.688 177.236 175.510 0.064 0.000 0.999 72 N CA 2.413 55.464 53.050 0.003 0.000 0.893 72 N CB 0.021 38.517 38.487 0.015 0.000 1.025 72 N HN 0.774 nan 8.380 nan 0.000 0.456 73 A N -1.385 121.464 122.820 0.048 0.000 2.610 73 A HA 0.326 4.646 4.320 0.000 0.000 0.291 73 A C -0.047 177.500 177.584 -0.062 0.000 1.116 73 A CA -0.063 52.014 52.037 0.067 0.000 0.963 73 A CB 0.082 19.137 19.000 0.091 0.000 1.220 73 A HN 0.214 nan 8.150 nan 0.000 0.530 74 T N -2.438 112.057 114.554 -0.100 0.000 2.916 74 T HA 0.815 5.165 4.350 0.000 0.000 0.298 74 T C -0.622 173.972 174.700 -0.177 0.000 1.031 74 T CA -0.043 61.976 62.100 -0.134 0.000 0.993 74 T CB 1.719 70.535 68.868 -0.087 0.000 1.045 74 T HN 1.307 nan 8.240 nan 0.000 0.454 75 A N 1.673 124.366 122.820 -0.211 0.000 2.587 75 A HA 0.871 5.191 4.320 0.000 0.000 0.293 75 A C -0.540 176.946 177.584 -0.162 0.000 1.087 75 A CA -0.897 51.014 52.037 -0.210 0.000 0.692 75 A CB 1.856 20.657 19.000 -0.331 0.000 1.291 75 A HN 0.840 nan 8.150 nan 0.000 0.407 76 S N 0.192 115.827 115.700 -0.108 0.000 2.532 76 S HA 0.595 5.065 4.470 0.000 0.000 0.301 76 S C -0.288 174.301 174.600 -0.019 0.000 1.083 76 S CA -0.391 57.761 58.200 -0.081 0.000 1.025 76 S CB 1.267 64.430 63.200 -0.063 0.000 1.056 76 S HN 0.729 nan 8.310 nan 0.000 0.494 77 I N 2.767 123.300 120.570 -0.062 0.000 2.575 77 I HA 0.227 4.397 4.170 0.000 0.000 0.285 77 I C -0.040 176.000 176.117 -0.128 0.000 1.085 77 I CA -0.301 60.978 61.300 -0.035 0.000 1.403 77 I CB 0.454 38.258 38.000 -0.325 0.000 1.409 77 I HN 0.518 nan 8.210 nan 0.000 0.557 78 K N 5.941 126.268 120.400 -0.122 0.000 2.202 78 K HA 0.447 4.767 4.320 0.000 0.000 0.264 78 K C 0.010 176.568 176.600 -0.069 0.000 1.010 78 K CA -0.617 55.610 56.287 -0.100 0.000 0.940 78 K CB 0.855 33.282 32.500 -0.122 0.000 0.983 78 K HN 0.728 nan 8.250 nan 0.000 0.475 79 A N 0.774 123.576 122.820 -0.029 0.000 2.547 79 A HA 0.298 4.618 4.320 0.000 0.000 0.233 79 A C 1.296 178.871 177.584 -0.014 0.000 1.067 79 A CA 0.948 52.989 52.037 0.007 0.000 0.763 79 A CB -0.758 18.241 19.000 -0.001 0.000 1.007 79 A HN 0.957 nan 8.150 nan 0.000 0.506 80 G N 0.513 109.318 108.800 0.009 0.000 2.205 80 G HA2 -0.224 3.736 3.960 0.000 0.000 0.261 80 G HA3 -0.224 3.736 3.960 0.000 0.000 0.261 80 G C 0.438 175.308 174.900 -0.051 0.000 0.980 80 G CA 0.673 45.758 45.100 -0.025 0.000 0.632 80 G HN 1.411 nan 8.290 nan 0.000 0.533 81 T N 1.434 115.969 114.554 -0.032 0.000 2.799 81 T HA 0.551 4.901 4.350 0.000 0.000 0.296 81 T C 0.449 175.148 174.700 -0.001 0.000 0.947 81 T CA 0.339 62.382 62.100 -0.096 0.000 1.141 81 T CB 1.329 70.141 68.868 -0.094 0.000 0.891 81 T HN 0.354 nan 8.240 nan 0.000 0.533 82 I N 3.395 123.891 120.570 -0.123 0.000 2.389 82 I HA 0.426 4.596 4.170 0.000 0.000 0.288 82 I C -0.564 175.521 176.117 -0.053 0.000 0.999 82 I CA -0.994 60.273 61.300 -0.055 0.000 1.129 82 I CB 1.798 39.762 38.000 -0.059 0.000 1.288 82 I HN 0.284 nan 8.210 nan 0.000 0.444 83 V N 5.438 125.393 119.914 0.068 0.000 2.444 83 V HA 0.299 4.419 4.120 0.000 0.000 0.294 83 V C 0.092 176.277 176.094 0.151 0.000 1.022 83 V CA -0.735 61.670 62.300 0.175 0.000 0.850 83 V CB 1.838 33.842 31.823 0.301 0.000 0.992 83 V HN 0.640 nan 8.190 nan 0.000 0.426 84 E N 3.338 123.635 120.200 0.163 0.000 2.316 84 E HA 0.444 4.794 4.350 0.000 0.000 0.275 84 E C -1.281 175.417 176.600 0.164 0.000 1.029 84 E CA 0.048 56.544 56.400 0.160 0.000 0.871 84 E CB 1.749 31.532 29.700 0.138 0.000 1.022 84 E HN 0.561 nan 8.360 nan 0.000 0.418 85 V N 5.938 125.941 119.914 0.149 0.000 2.697 85 V HA 0.202 4.322 4.120 0.000 0.000 0.296 85 V C -0.784 175.372 176.094 0.104 0.000 1.140 85 V CA -0.445 61.932 62.300 0.127 0.000 0.921 85 V CB 1.234 33.129 31.823 0.121 0.000 1.036 85 V HN 0.916 nan 8.190 nan 0.000 0.438 86 N N 4.941 123.703 118.700 0.104 0.000 2.671 86 N HA -0.125 4.615 4.740 0.000 0.000 0.261 86 N C 1.149 176.682 175.510 0.039 0.000 1.053 86 N CA 1.924 55.019 53.050 0.076 0.000 0.732 86 N CB -1.000 37.527 38.487 0.066 0.000 0.887 86 N HN 2.369 nan 8.380 nan 0.000 0.546 87 G N -0.628 108.204 108.800 0.052 0.000 2.270 87 G HA2 -0.379 3.581 3.960 0.000 0.000 0.268 87 G HA3 -0.379 3.581 3.960 0.000 0.000 0.268 87 G C 0.171 174.897 174.900 -0.290 0.000 0.982 87 G CA 1.196 46.190 45.100 -0.176 0.000 0.628 87 G HN 0.681 nan 8.290 nan 0.000 0.544 88 K N -0.237 120.132 120.400 -0.051 0.000 2.156 88 K HA 0.679 4.999 4.320 0.000 0.000 0.250 88 K C -0.277 176.359 176.600 0.060 0.000 0.955 88 K CA -0.884 55.389 56.287 -0.022 0.000 0.855 88 K CB 2.315 34.809 32.500 -0.010 0.000 1.101 88 K HN 0.164 nan 8.250 nan 0.000 0.434 89 L N 2.832 124.082 121.223 0.045 0.000 2.276 89 L HA 0.326 4.666 4.340 0.000 0.000 0.286 89 L C -1.194 175.670 176.870 -0.009 0.000 1.061 89 L CA -0.726 54.142 54.840 0.047 0.000 0.807 89 L CB 0.928 43.011 42.059 0.040 0.000 1.177 89 L HN 0.275 nan 8.230 nan 0.000 0.429 90 V N 5.700 125.605 119.914 -0.015 0.000 2.409 90 V HA 0.410 4.530 4.120 0.000 0.000 0.291 90 V C -0.253 175.734 176.094 -0.178 0.000 1.020 90 V CA -0.467 61.761 62.300 -0.119 0.000 0.848 90 V CB 1.610 33.383 31.823 -0.083 0.000 0.990 90 V HN 0.901 nan 8.190 nan 0.000 0.430 91 Q N 3.721 123.324 119.800 -0.328 0.000 2.552 91 Q HA 0.801 5.141 4.340 0.000 0.000 0.289 91 Q C -1.895 173.757 176.000 -0.579 0.000 1.097 91 Q CA -0.864 54.772 55.803 -0.278 0.000 0.812 91 Q CB 2.736 31.409 28.738 -0.108 0.000 1.460 91 Q HN 0.449 nan 8.270 nan 0.000 0.452 92 F N 0.144 120.078 119.950 -0.026 0.000 2.579 92 F HA 0.325 4.852 4.527 0.000 0.000 0.325 92 F C 0.421 176.204 175.800 -0.029 0.000 1.162 92 F CA -0.613 57.375 58.000 -0.020 0.000 0.946 92 F CB 2.542 41.534 39.000 -0.014 0.000 1.211 92 F HN 0.662 nan 8.300 nan 0.000 0.447 93 T N 0.551 115.167 114.554 0.104 0.000 2.939 93 T HA 0.312 4.662 4.350 0.000 0.000 0.254 93 T C 0.813 175.547 174.700 0.056 0.000 1.041 93 T CA 0.747 62.877 62.100 0.051 0.000 1.142 93 T CB 0.185 69.062 68.868 0.016 0.000 0.874 93 T HN 0.522 nan 8.240 nan 0.000 0.452 94 A N 1.330 124.196 122.820 0.077 0.000 2.346 94 A HA 0.592 4.912 4.320 0.000 0.000 0.313 94 A C -1.189 176.437 177.584 0.070 0.000 1.140 94 A CA -0.873 51.197 52.037 0.054 0.000 0.826 94 A CB 0.660 19.682 19.000 0.038 0.000 1.332 94 A HN 0.142 nan 8.150 nan 0.000 0.457 95 D N 1.647 122.063 120.400 0.026 0.000 2.458 95 D HA 0.350 4.990 4.640 0.000 0.000 0.243 95 D C -0.246 176.060 176.300 0.010 0.000 1.146 95 D CA 1.144 55.143 54.000 -0.002 0.000 0.877 95 D CB 0.428 41.215 40.800 -0.022 0.000 1.176 95 D HN 0.329 nan 8.370 nan 0.000 0.461 96 T N 1.160 115.703 114.554 -0.019 0.000 2.807 96 T HA 0.600 4.950 4.350 0.000 0.000 0.279 96 T C 0.193 174.863 174.700 -0.051 0.000 0.993 96 T CA -0.788 61.318 62.100 0.010 0.000 0.970 96 T CB 1.577 70.511 68.868 0.110 0.000 0.950 96 T HN 0.403 nan 8.240 nan 0.000 0.441 97 A N 3.525 126.329 122.820 -0.027 0.000 2.498 97 A HA 0.483 4.803 4.320 0.000 0.000 0.239 97 A C 0.113 177.659 177.584 -0.063 0.000 1.068 97 A CA -0.178 51.829 52.037 -0.051 0.000 0.766 97 A CB -0.359 18.619 19.000 -0.036 0.000 1.003 97 A HN 0.853 nan 8.150 nan 0.000 0.497 98 I N 1.703 122.212 120.570 -0.101 0.000 2.331 98 I HA 0.160 4.330 4.170 0.000 0.000 0.292 98 I C 0.432 176.498 176.117 -0.084 0.000 0.998 98 I CA -0.187 61.048 61.300 -0.109 0.000 1.267 98 I CB 1.493 39.386 38.000 -0.179 0.000 1.386 98 I HN 0.570 nan 8.210 nan 0.000 0.476 99 T N 7.603 122.126 114.554 -0.052 0.000 2.793 99 T HA 0.160 4.510 4.350 0.000 0.000 0.289 99 T C 0.230 174.891 174.700 -0.065 0.000 0.956 99 T CA -0.082 61.992 62.100 -0.043 0.000 1.177 99 T CB -0.069 68.791 68.868 -0.012 0.000 0.897 99 T HN 0.267 nan 8.240 nan 0.000 0.533 100 M N 5.022 124.572 119.600 -0.085 0.000 2.264 100 M HA 0.396 4.876 4.480 0.000 0.000 0.352 100 M C -1.860 174.364 176.300 -0.126 0.000 1.173 100 M CA -2.934 52.289 55.300 -0.128 0.000 1.075 100 M CB 0.467 32.979 32.600 -0.147 0.000 1.621 100 M HN 0.336 nan 8.290 nan 0.000 0.457 101 P HA 0.426 nan 4.420 nan 0.000 0.307 101 P C -0.941 176.260 177.300 -0.165 0.000 1.306 101 P CA -0.668 62.351 63.100 -0.135 0.000 0.742 101 P CB 0.185 31.817 31.700 -0.114 0.000 1.349 102 A N -0.113 122.640 122.820 -0.113 0.000 2.477 102 A HA 0.391 4.711 4.320 0.000 0.000 0.246 102 A C -0.249 177.226 177.584 -0.182 0.000 1.078 102 A CA -0.099 51.871 52.037 -0.112 0.000 0.770 102 A CB -0.933 18.041 19.000 -0.043 0.000 1.011 102 A HN 0.410 nan 8.150 nan 0.000 0.494 103 L N 3.243 124.293 121.223 -0.288 0.000 2.318 103 L HA 0.368 4.708 4.340 0.000 0.000 0.277 103 L C -0.187 176.458 176.870 -0.376 0.000 1.008 103 L CA -0.488 54.022 54.840 -0.549 0.000 0.846 103 L CB 1.524 42.845 42.059 -1.229 0.000 1.220 103 L HN 0.733 nan 8.230 nan 0.000 0.423 104 T N 0.638 115.183 114.554 -0.015 0.000 2.837 104 T HA 0.572 4.922 4.350 0.000 0.000 0.285 104 T C 0.584 175.476 174.700 0.320 0.000 0.984 104 T CA -0.680 61.513 62.100 0.155 0.000 1.049 104 T CB 1.786 70.726 68.868 0.121 0.000 0.947 104 T HN 0.642 nan 8.240 nan 0.000 0.472 105 A N 1.891 124.894 122.820 0.305 0.000 2.616 105 A HA 0.417 4.737 4.320 0.000 0.000 0.234 105 A C 1.542 179.003 177.584 -0.204 0.000 1.024 105 A CA 0.368 52.450 52.037 0.074 0.000 0.758 105 A CB -1.161 17.810 19.000 -0.050 0.000 0.939 105 A HN 2.190 nan 8.150 nan 0.000 0.510 106 G N 2.557 111.141 108.800 -0.359 0.000 2.359 106 G HA2 -0.012 3.948 3.960 0.000 0.000 0.298 106 G HA3 -0.012 3.948 3.960 0.000 0.000 0.298 106 G C 0.135 175.011 174.900 -0.040 0.000 1.030 106 G CA 0.554 45.432 45.100 -0.370 0.000 1.149 106 G HN 1.625 nan 8.290 nan 0.000 0.512 107 T N 0.241 114.702 114.554 -0.155 0.000 2.909 107 T HA 0.528 4.878 4.350 0.000 0.000 0.299 107 T C -0.809 173.685 174.700 -0.344 0.000 1.073 107 T CA -0.874 61.119 62.100 -0.178 0.000 0.999 107 T CB 2.177 70.881 68.868 -0.273 0.000 1.098 107 T HN 0.181 nan 8.240 nan 0.000 0.477 108 D N 1.285 121.575 120.400 -0.184 0.000 2.210 108 D HA 0.412 5.052 4.640 0.000 0.000 0.249 108 D C -0.776 175.338 176.300 -0.309 0.000 1.078 108 D CA 0.028 54.002 54.000 -0.043 0.000 0.875 108 D CB 1.145 42.065 40.800 0.199 0.000 1.175 108 D HN 0.398 nan 8.370 nan 0.000 0.440 109 Y N -0.109 120.110 120.300 -0.135 0.000 2.562 109 Y HA 0.544 5.094 4.550 0.000 0.000 0.343 109 Y C 0.185 175.736 175.900 -0.581 0.000 1.025 109 Y CA -1.190 56.657 58.100 -0.422 0.000 1.082 109 Y CB 1.775 39.681 38.460 -0.924 0.000 1.264 109 Y HN 0.352 nan 8.280 nan 0.000 0.478 110 A N 2.613 125.076 122.820 -0.595 0.000 2.318 110 A HA 0.696 5.016 4.320 0.000 0.000 0.317 110 A C -0.931 176.332 177.584 -0.535 0.000 1.159 110 A CA -0.639 50.889 52.037 -0.847 0.000 0.799 110 A CB 0.160 18.323 19.000 -1.395 0.000 1.194 110 A HN 0.730 nan 8.150 nan 0.000 0.479 111 I N 2.502 122.737 120.570 -0.557 0.000 2.416 111 I HA 0.249 4.419 4.170 0.000 0.000 0.288 111 I C -0.846 175.009 176.117 -0.437 0.000 1.051 111 I CA 0.063 61.121 61.300 -0.404 0.000 1.375 111 I CB 0.524 38.176 38.000 -0.580 0.000 1.407 111 I HN 0.625 nan 8.210 nan 0.000 0.516 112 Y N 4.621 124.819 120.300 -0.169 0.000 2.468 112 Y HA 0.556 5.106 4.550 0.000 0.000 0.342 112 Y C -0.194 175.668 175.900 -0.064 0.000 1.021 112 Y CA -0.903 57.125 58.100 -0.121 0.000 1.079 112 Y CB 2.014 40.375 38.460 -0.165 0.000 1.226 112 Y HN 0.115 nan 8.280 nan 0.000 0.460 113 V N 2.957 122.969 119.914 0.164 0.000 2.376 113 V HA 0.333 4.453 4.120 0.000 0.000 0.287 113 V C -0.561 175.600 176.094 0.112 0.000 1.015 113 V CA -0.929 61.480 62.300 0.181 0.000 0.834 113 V CB 0.703 32.699 31.823 0.289 0.000 1.001 113 V HN 0.900 nan 8.190 nan 0.000 0.428 114 C N 2.950 122.263 119.300 0.022 0.000 2.351 114 C HA 0.352 4.812 4.460 0.000 0.000 0.359 114 C C 1.690 176.699 174.990 0.033 0.000 1.193 114 C CA -0.538 58.447 59.018 -0.056 0.000 2.270 114 C CB 1.174 28.729 27.740 -0.308 0.000 2.369 114 C HN 0.969 nan 8.230 nan 0.000 0.553 115 D N 0.325 120.760 120.400 0.058 0.000 2.378 115 D HA -0.143 4.497 4.640 0.000 0.000 0.222 115 D C 0.761 177.094 176.300 0.056 0.000 0.980 115 D CA 1.082 55.119 54.000 0.061 0.000 0.907 115 D CB -0.569 40.271 40.800 0.066 0.000 0.899 115 D HN 0.790 nan 8.370 nan 0.000 0.527 116 D N -1.599 118.851 120.400 0.083 0.000 2.340 116 D HA 0.193 4.833 4.640 0.000 0.000 0.220 116 D C 1.711 178.035 176.300 0.040 0.000 1.039 116 D CA 0.429 54.474 54.000 0.074 0.000 0.866 116 D CB -0.040 40.837 40.800 0.129 0.000 0.913 116 D HN 0.250 nan 8.370 nan 0.000 0.523 117 G N -0.189 108.625 108.800 0.024 0.000 2.175 117 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 117 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 117 G C 0.386 175.312 174.900 0.044 0.000 0.982 117 G CA 0.311 45.396 45.100 -0.025 0.000 0.641 117 G HN 0.682 nan 8.290 nan 0.000 0.527 118 T N -1.683 112.926 114.554 0.092 0.000 2.882 118 T HA 0.620 4.970 4.350 0.000 0.000 0.287 118 T C -0.000 174.793 174.700 0.155 0.000 0.992 118 T CA -0.187 61.993 62.100 0.134 0.000 1.076 118 T CB 2.873 71.796 68.868 0.093 0.000 0.961 118 T HN 1.123 nan 8.240 nan 0.000 0.490 119 V N 4.680 124.705 119.914 0.185 0.000 2.294 119 V HA 0.529 4.649 4.120 0.000 0.000 0.272 119 V C 0.032 176.131 176.094 0.009 0.000 1.027 119 V CA -0.819 61.541 62.300 0.100 0.000 0.823 119 V CB -0.011 31.810 31.823 -0.003 0.000 1.030 119 V HN 1.003 nan 8.190 nan 0.000 0.457 120 R N 5.757 126.257 120.500 -0.001 0.000 2.740 120 R HA 0.916 5.256 4.340 0.000 0.000 0.282 120 R C -0.751 175.559 176.300 0.016 0.000 0.969 120 R CA -0.572 55.519 56.100 -0.014 0.000 0.918 120 R CB 2.200 32.483 30.300 -0.029 0.000 1.175 120 R HN 0.609 nan 8.270 nan 0.000 0.464 121 A N 1.519 124.335 122.820 -0.006 0.000 2.312 121 A HA 0.543 4.863 4.320 0.000 0.000 0.328 121 A C -0.986 176.608 177.584 0.017 0.000 1.158 121 A CA -0.506 51.538 52.037 0.012 0.000 0.821 121 A CB 1.198 20.216 19.000 0.030 0.000 1.170 121 A HN 0.838 nan 8.150 nan 0.000 0.490 122 D N -0.466 119.984 120.400 0.083 0.000 2.655 122 D HA 0.289 4.929 4.640 0.000 0.000 0.229 122 D C 1.035 177.504 176.300 0.282 0.000 1.229 122 D CA 0.377 54.456 54.000 0.132 0.000 0.807 122 D CB 2.123 42.979 40.800 0.094 0.000 1.514 122 D HN 0.417 nan 8.370 nan 0.000 0.444 123 S N 2.119 118.044 115.700 0.375 0.000 2.428 123 S HA -0.084 4.386 4.470 0.000 0.000 0.230 123 S C 0.873 175.646 174.600 0.288 0.000 1.014 123 S CA 0.295 58.693 58.200 0.331 0.000 0.957 123 S CB -0.108 63.250 63.200 0.264 0.000 0.784 123 S HN 0.448 nan 8.310 nan 0.000 0.499 124 N N 0.416 119.260 118.700 0.238 0.000 2.520 124 N HA 0.155 4.896 4.740 0.000 0.000 0.273 124 N C -0.683 175.024 175.510 0.327 0.000 1.155 124 N CA -0.219 52.990 53.050 0.265 0.000 0.967 124 N CB 0.425 39.007 38.487 0.157 0.000 1.092 124 N HN 0.205 nan 8.380 nan 0.000 0.457 125 F N 0.958 121.024 119.950 0.193 0.000 2.695 125 F HA 0.233 4.760 4.527 0.000 0.000 0.303 125 F C 2.037 177.989 175.800 0.253 0.000 1.091 125 F CA -0.075 58.053 58.000 0.214 0.000 1.300 125 F CB 0.465 39.543 39.000 0.128 0.000 1.071 125 F HN 0.448 nan 8.300 nan 0.000 0.578 126 S N -0.549 115.363 115.700 0.354 0.000 2.506 126 S HA 0.615 5.085 4.470 0.000 0.000 0.230 126 S C 0.467 175.205 174.600 0.230 0.000 1.066 126 S CA 0.485 58.842 58.200 0.261 0.000 0.940 126 S CB 0.303 63.606 63.200 0.172 0.000 0.818 126 S HN 0.121 nan 8.310 nan 0.000 0.518 127 A N 1.519 124.397 122.820 0.097 0.000 2.582 127 A HA 0.635 4.955 4.320 0.000 0.000 0.297 127 A C -3.200 174.163 177.584 -0.368 0.000 1.059 127 A CA -1.225 50.685 52.037 -0.211 0.000 0.705 127 A CB 0.796 19.766 19.000 -0.050 0.000 1.279 127 A HN 0.072 nan 8.150 nan 0.000 0.404 128 P HA 0.408 nan 4.420 nan 0.000 0.279 128 P C -0.085 177.203 177.300 -0.021 0.000 1.252 128 P CA 0.046 62.933 63.100 -0.355 0.000 0.811 128 P CB 0.491 31.890 31.700 -0.502 0.000 1.035 129 T N -0.644 113.929 114.554 0.032 0.000 2.888 129 T HA 0.395 4.745 4.350 0.000 0.000 0.301 129 T C 1.333 176.065 174.700 0.054 0.000 1.001 129 T CA 0.668 62.793 62.100 0.042 0.000 1.147 129 T CB -0.258 68.621 68.868 0.018 0.000 0.931 129 T HN 0.851 nan 8.240 nan 0.000 0.541 130 G N 1.444 110.195 108.800 -0.081 0.000 2.195 130 G HA2 -0.184 3.776 3.960 0.000 0.000 0.224 130 G HA3 -0.184 3.776 3.960 0.000 0.000 0.224 130 G C -0.272 174.264 174.900 -0.607 0.000 0.990 130 G CA -0.443 44.445 45.100 -0.354 0.000 0.639 130 G HN 0.754 nan 8.290 nan 0.000 0.514 131 Y N 0.735 120.992 120.300 -0.072 0.000 2.524 131 Y HA 0.633 5.183 4.550 0.000 0.000 0.347 131 Y C 0.807 176.669 175.900 -0.063 0.000 1.005 131 Y CA -0.312 57.746 58.100 -0.071 0.000 1.025 131 Y CB 1.754 40.149 38.460 -0.108 0.000 1.275 131 Y HN 0.283 nan 8.280 nan 0.000 0.460 132 T N -2.761 111.866 114.554 0.121 0.000 2.862 132 T HA 0.186 4.536 4.350 0.000 0.000 0.276 132 T C 1.212 175.963 174.700 0.086 0.000 0.974 132 T CA -0.142 62.005 62.100 0.079 0.000 0.966 132 T CB 1.235 70.139 68.868 0.059 0.000 1.072 132 T HN 0.738 nan 8.240 nan 0.000 0.538 133 S N -0.460 115.288 115.700 0.080 0.000 2.500 133 S HA -0.117 4.353 4.470 0.000 0.000 0.239 133 S C 1.649 176.310 174.600 0.101 0.000 0.989 133 S CA 1.266 59.527 58.200 0.102 0.000 0.951 133 S CB -1.263 62.000 63.200 0.104 0.000 0.759 133 S HN 0.766 nan 8.310 nan 0.000 0.523 134 T N 2.276 116.883 114.554 0.089 0.000 2.852 134 T HA -0.010 4.340 4.350 0.000 0.000 0.256 134 T C 2.120 176.877 174.700 0.095 0.000 1.038 134 T CA 1.653 63.804 62.100 0.084 0.000 1.141 134 T CB -0.692 68.217 68.868 0.068 0.000 0.869 134 T HN 0.837 nan 8.240 nan 0.000 0.439 135 T N -0.143 114.480 114.554 0.115 0.000 3.118 135 T HA 0.514 4.864 4.350 0.000 0.000 0.260 135 T C 0.472 175.242 174.700 0.116 0.000 1.139 135 T CA 0.194 62.384 62.100 0.150 0.000 1.085 135 T CB -0.080 68.928 68.868 0.232 0.000 0.934 135 T HN 0.331 nan 8.240 nan 0.000 0.518 136 A N 0.770 123.634 122.820 0.074 0.000 2.449 136 A HA 0.762 5.082 4.320 0.000 0.000 0.302 136 A C -0.579 177.105 177.584 0.165 0.000 1.048 136 A CA -1.136 50.910 52.037 0.014 0.000 0.708 136 A CB 1.567 20.428 19.000 -0.232 0.000 1.274 136 A HN 0.348 nan 8.150 nan 0.000 0.410 137 R N 1.738 122.365 120.500 0.212 0.000 2.437 137 R HA 0.419 4.759 4.340 0.000 0.000 0.310 137 R C -0.649 175.724 176.300 0.122 0.000 0.955 137 R CA -0.567 55.643 56.100 0.184 0.000 0.851 137 R CB 1.145 31.520 30.300 0.125 0.000 1.161 137 R HN 0.743 nan 8.270 nan 0.000 0.446 138 K N 3.289 123.662 120.400 -0.045 0.000 2.383 138 K HA 0.076 4.396 4.320 0.000 0.000 0.286 138 K C 0.669 177.113 176.600 -0.261 0.000 1.051 138 K CA -0.093 55.934 56.287 -0.432 0.000 0.974 138 K CB 0.857 33.149 32.500 -0.347 0.000 0.968 138 K HN 0.548 nan 8.250 nan 0.000 0.475 139 V N 0.446 120.168 119.914 -0.321 0.000 3.548 139 V HA 0.493 4.613 4.120 0.000 0.000 0.279 139 V C 0.491 176.372 176.094 -0.354 0.000 1.446 139 V CA 0.495 62.624 62.300 -0.285 0.000 1.023 139 V CB 0.281 32.071 31.823 -0.054 0.000 0.820 139 V HN 0.795 nan 8.190 nan 0.000 0.438 140 G N -1.339 107.120 108.800 -0.569 0.000 2.427 140 G HA2 0.695 4.655 3.960 0.000 0.000 0.306 140 G HA3 0.695 4.655 3.960 0.000 0.000 0.306 140 G C -0.573 173.506 174.900 -1.368 0.000 1.280 140 G CA 0.162 44.636 45.100 -1.044 0.000 0.837 140 G HN 1.232 nan 8.290 nan 0.000 0.482 141 G N -1.835 106.114 108.800 -1.418 0.000 2.441 141 G HA2 0.841 4.801 3.960 0.000 0.000 0.294 141 G HA3 0.841 4.801 3.960 0.000 0.000 0.294 141 G C -1.447 173.449 174.900 -0.006 0.000 1.393 141 G CA 0.253 44.985 45.100 -0.612 0.000 0.796 141 G HN 1.881 nan 8.290 nan 0.000 0.494 142 F N -2.019 118.060 119.950 0.215 0.000 2.713 142 F HA 0.813 5.340 4.527 0.000 0.000 0.311 142 F C -1.204 174.884 175.800 0.479 0.000 1.141 142 F CA -1.418 56.801 58.000 0.365 0.000 0.939 142 F CB 1.615 40.742 39.000 0.211 0.000 1.325 142 F HN 0.733 nan 8.300 nan 0.000 0.453 143 H N 0.545 119.938 119.070 0.539 0.000 2.459 143 H HA 0.378 4.934 4.556 0.000 0.000 0.332 143 H C -1.823 173.833 175.328 0.547 0.000 1.094 143 H CA -0.889 55.403 56.048 0.408 0.000 1.224 143 H CB 1.158 31.117 29.762 0.328 0.000 1.449 143 H HN 0.705 nan 8.280 nan 0.000 0.484 144 Y N 4.896 125.084 120.300 -0.187 0.000 2.650 144 Y HA 0.437 4.987 4.550 0.000 0.000 0.343 144 Y C -0.170 175.533 175.900 -0.327 0.000 1.078 144 Y CA -0.593 57.501 58.100 -0.010 0.000 1.356 144 Y CB -0.583 38.047 38.460 0.282 0.000 1.204 144 Y HN 0.850 nan 8.280 nan 0.000 0.508 145 A N 7.790 130.442 122.820 -0.280 0.000 2.445 145 A HA 0.254 4.574 4.320 0.000 0.000 0.242 145 A C -1.609 175.872 177.584 -0.171 0.000 1.075 145 A CA -1.094 50.918 52.037 -0.042 0.000 0.777 145 A CB 0.052 19.146 19.000 0.158 0.000 1.013 145 A HN 0.657 nan 8.150 nan 0.000 0.493 146 P HA 0.114 nan 4.420 nan 0.000 0.241 146 P C 0.563 178.018 177.300 0.258 0.000 1.191 146 P CA 1.328 64.415 63.100 -0.022 0.000 0.771 146 P CB 0.253 31.841 31.700 -0.187 0.000 0.929 147 G N -0.514 108.455 108.800 0.281 0.000 2.682 147 G HA2 0.449 4.409 3.960 0.000 0.000 0.290 147 G HA3 0.449 4.409 3.960 0.000 0.000 0.290 147 G C -1.086 173.872 174.900 0.096 0.000 1.425 147 G CA -0.346 44.886 45.100 0.221 0.000 0.807 147 G HN 0.047 nan 8.290 nan 0.000 0.482 148 S N 0.114 115.829 115.700 0.025 0.000 2.632 148 S HA 0.459 4.929 4.470 0.000 0.000 0.271 148 S C 0.362 174.973 174.600 0.020 0.000 1.260 148 S CA -0.717 57.486 58.200 0.005 0.000 1.010 148 S CB 1.059 64.242 63.200 -0.029 0.000 0.965 148 S HN 0.529 nan 8.310 nan 0.000 0.534 149 N N 0.756 119.472 118.700 0.028 0.000 2.255 149 N HA 0.466 5.206 4.740 0.000 0.000 0.253 149 N C -0.362 175.129 175.510 -0.032 0.000 1.313 149 N CA 0.032 53.096 53.050 0.023 0.000 0.912 149 N CB -0.106 38.418 38.487 0.062 0.000 1.145 149 N HN 0.965 nan 8.380 nan 0.000 0.511 150 A N -0.599 122.181 122.820 -0.065 0.000 2.271 150 A HA 0.643 4.963 4.320 0.000 0.000 0.317 150 A C 0.883 178.411 177.584 -0.093 0.000 1.245 150 A CA -0.345 51.638 52.037 -0.090 0.000 0.857 150 A CB 0.559 19.494 19.000 -0.108 0.000 1.175 150 A HN 0.657 nan 8.150 nan 0.000 0.512 151 A N 2.562 125.335 122.820 -0.079 0.000 1.877 151 A HA 0.328 4.648 4.320 0.000 0.000 0.216 151 A C 1.525 179.072 177.584 -0.062 0.000 1.186 151 A CA 2.389 54.386 52.037 -0.067 0.000 0.620 151 A CB -0.412 18.552 19.000 -0.060 0.000 0.822 151 A HN 1.770 nan 8.150 nan 0.000 0.443 152 A N -1.530 121.247 122.820 -0.072 0.000 3.891 152 A HA 0.562 4.882 4.320 0.000 0.000 0.173 152 A C -0.487 177.019 177.584 -0.131 0.000 0.735 152 A CA 0.116 52.111 52.037 -0.069 0.000 0.892 152 A CB -0.030 18.935 19.000 -0.059 0.000 1.601 152 A HN 0.308 nan 8.150 nan 0.000 0.796 153 Q N -0.197 119.502 119.800 -0.169 0.000 3.035 153 Q HA 0.609 4.949 4.340 0.000 0.000 0.354 153 Q C -0.032 175.860 176.000 -0.179 0.000 1.247 153 Q CA 0.240 55.902 55.803 -0.235 0.000 1.068 153 Q CB 0.546 29.086 28.738 -0.330 0.000 1.424 153 Q HN 0.684 nan 8.270 nan 0.000 0.486 154 A N 0.292 123.015 122.820 -0.163 0.000 2.474 154 A HA 0.620 4.940 4.320 0.000 0.000 0.221 154 A C 0.826 178.294 177.584 -0.193 0.000 1.298 154 A CA 0.380 52.316 52.037 -0.167 0.000 1.008 154 A CB 0.703 19.618 19.000 -0.142 0.000 1.217 154 A HN 0.724 nan 8.150 nan 0.000 0.553 155 G N -1.434 107.264 108.800 -0.170 0.000 2.472 155 G HA2 0.433 4.393 3.960 0.000 0.000 0.205 155 G HA3 0.433 4.393 3.960 0.000 0.000 0.205 155 G C 0.229 175.039 174.900 -0.150 0.000 1.270 155 G CA -0.300 44.701 45.100 -0.166 0.000 0.974 155 G HN 1.568 nan 8.290 nan 0.000 0.542 156 G N -0.730 107.969 108.800 -0.169 0.000 3.042 156 G HA2 0.783 4.743 3.960 0.000 0.000 0.278 156 G HA3 0.783 4.743 3.960 0.000 0.000 0.278 156 G C -0.131 174.640 174.900 -0.215 0.000 1.371 156 G CA 0.392 45.403 45.100 -0.149 0.000 1.009 156 G HN 1.544 nan 8.290 nan 0.000 0.523 157 N N -2.277 116.327 118.700 -0.161 0.000 2.566 157 N HA 0.405 5.146 4.740 0.000 0.000 0.299 157 N C 0.712 176.125 175.510 -0.162 0.000 1.277 157 N CA 0.148 53.098 53.050 -0.166 0.000 0.965 157 N CB 0.533 38.965 38.487 -0.091 0.000 1.142 157 N HN 0.411 nan 8.380 nan 0.000 0.596 158 T N -4.886 109.624 114.554 -0.074 0.000 3.186 158 T HA 0.171 4.521 4.350 0.000 0.000 0.257 158 T C -0.104 174.664 174.700 0.113 0.000 1.029 158 T CA -0.419 61.737 62.100 0.093 0.000 0.916 158 T CB -1.021 67.939 68.868 0.153 0.000 1.041 158 T HN 0.439 nan 8.240 nan 0.000 0.562 159 T N 3.606 118.187 114.554 0.045 0.000 2.739 159 T HA 0.579 4.929 4.350 0.000 0.000 0.298 159 T C 0.604 175.299 174.700 -0.008 0.000 0.929 159 T CA -0.499 61.619 62.100 0.029 0.000 1.014 159 T CB 0.244 69.116 68.868 0.006 0.000 0.914 159 T HN 0.567 nan 8.240 nan 0.000 0.509 160 A N 4.953 127.763 122.820 -0.017 0.000 2.520 160 A HA 0.448 4.769 4.320 0.000 0.000 0.245 160 A C 0.513 177.834 177.584 -0.438 0.000 1.072 160 A CA -0.127 51.787 52.037 -0.205 0.000 0.761 160 A CB 0.113 19.075 19.000 -0.065 0.000 1.004 160 A HN 0.876 nan 8.150 nan 0.000 0.499 161 Q N 1.646 120.992 119.800 -0.756 0.000 2.737 161 Q HA 0.575 4.915 4.340 0.000 0.000 0.307 161 Q C -1.394 174.323 176.000 -0.472 0.000 0.905 161 Q CA -0.953 54.518 55.803 -0.554 0.000 0.753 161 Q CB 0.834 29.474 28.738 -0.164 0.000 1.463 161 Q HN 0.516 nan 8.270 nan 0.000 0.455 162 I N 2.410 122.952 120.570 -0.047 0.000 2.471 162 I HA 0.099 4.269 4.170 0.000 0.000 0.286 162 I C 0.012 176.169 176.117 0.067 0.000 1.079 162 I CA -0.384 60.975 61.300 0.099 0.000 1.398 162 I CB 0.450 38.422 38.000 -0.046 0.000 1.403 162 I HN 0.497 nan 8.210 nan 0.000 0.530 163 N N 6.217 125.026 118.700 0.182 0.000 2.399 163 N HA -0.022 4.718 4.740 0.000 0.000 0.259 163 N C 1.142 176.761 175.510 0.181 0.000 1.160 163 N CA -0.121 53.049 53.050 0.200 0.000 0.946 163 N CB 0.663 39.335 38.487 0.309 0.000 1.156 163 N HN 0.612 nan 8.380 nan 0.000 0.489 164 E N 2.771 122.983 120.200 0.020 0.000 2.160 164 E HA -0.254 4.096 4.350 0.000 0.000 0.195 164 E C 0.387 176.946 176.600 -0.069 0.000 0.991 164 E CA 1.537 57.869 56.400 -0.112 0.000 0.810 164 E CB -0.358 29.148 29.700 -0.324 0.000 0.742 164 E HN 0.638 nan 8.360 nan 0.000 0.466 165 Y N 1.467 121.878 120.300 0.185 0.000 2.517 165 Y HA 0.061 4.611 4.550 0.000 0.000 0.281 165 Y C 2.391 178.448 175.900 0.261 0.000 1.125 165 Y CA 0.751 58.958 58.100 0.179 0.000 1.283 165 Y CB 0.214 38.784 38.460 0.184 0.000 1.042 165 Y HN 0.175 nan 8.280 nan 0.000 0.547 166 S N -0.353 115.644 115.700 0.494 0.000 2.660 166 S HA 0.055 4.525 4.470 0.000 0.000 0.223 166 S C 0.344 175.390 174.600 0.743 0.000 0.963 166 S CA -0.103 58.468 58.200 0.618 0.000 0.932 166 S CB -0.942 62.597 63.200 0.565 0.000 0.775 166 S HN 0.256 nan 8.310 nan 0.000 0.531 167 L N 3.711 125.321 121.223 0.646 0.000 2.319 167 L HA 0.432 4.772 4.340 0.000 0.000 0.280 167 L C 0.102 177.485 176.870 0.855 0.000 1.099 167 L CA -0.615 54.607 54.840 0.637 0.000 0.828 167 L CB 0.475 42.797 42.059 0.439 0.000 1.150 167 L HN 0.554 nan 8.230 nan 0.000 0.442 168 W N 3.358 125.025 121.300 0.611 0.000 3.033 168 W HA 0.614 5.274 4.660 0.000 0.000 0.336 168 W C -1.497 175.313 176.519 0.484 0.000 1.173 168 W CA -1.213 56.466 57.345 0.556 0.000 1.185 168 W CB 1.271 30.878 29.460 0.245 0.000 1.425 168 W HN 0.570 nan 8.180 nan 0.000 0.536 169 D N 0.908 121.625 120.400 0.528 0.000 2.531 169 D HA 0.364 5.004 4.640 0.000 0.000 0.244 169 D C 1.313 177.802 176.300 0.315 0.000 1.090 169 D CA -0.878 53.230 54.000 0.179 0.000 0.989 169 D CB 1.706 42.495 40.800 -0.017 0.000 1.433 169 D HN 0.411 nan 8.370 nan 0.000 0.492 170 I N -2.769 117.795 120.570 -0.010 0.000 2.800 170 I HA -0.073 4.097 4.170 0.000 0.000 0.266 170 I C 0.692 176.847 176.117 0.064 0.000 1.249 170 I CA 0.864 62.180 61.300 0.026 0.000 1.458 170 I CB -0.320 37.547 38.000 -0.222 0.000 1.093 170 I HN 0.207 nan 8.210 nan 0.000 0.466 171 K N 0.193 120.681 120.400 0.147 0.000 2.506 171 K HA 0.302 4.622 4.320 0.000 0.000 0.204 171 K C -0.823 175.986 176.600 0.348 0.000 1.045 171 K CA -0.205 56.219 56.287 0.228 0.000 1.074 171 K CB 0.746 33.417 32.500 0.286 0.000 0.842 171 K HN 0.251 nan 8.250 nan 0.000 0.514 172 F N 1.947 122.036 119.950 0.231 0.000 3.282 172 F HA 0.264 4.791 4.527 0.000 0.000 0.398 172 F C -1.266 174.839 175.800 0.508 0.000 1.205 172 F CA -0.585 57.626 58.000 0.351 0.000 1.273 172 F CB 0.621 39.827 39.000 0.343 0.000 2.153 172 F HN -0.128 nan 8.300 nan 0.000 0.680 173 R N 2.800 123.459 120.500 0.267 0.000 2.764 173 R HA 0.725 5.066 4.340 0.000 0.000 0.270 173 R C -3.337 172.707 176.300 -0.427 0.000 1.014 173 R CA -2.350 53.750 56.100 -0.001 0.000 0.904 173 R CB 1.249 31.547 30.300 -0.003 0.000 1.236 173 R HN 0.061 nan 8.270 nan 0.000 0.466 174 P HA 0.047 nan 4.420 nan 0.000 0.268 174 P C -0.079 176.967 177.300 -0.424 0.000 1.204 174 P CA 0.103 62.548 63.100 -1.091 0.000 0.768 174 P CB 1.060 32.108 31.700 -1.086 0.000 0.842 175 A N 3.199 125.912 122.820 -0.178 0.000 2.168 175 A HA 0.209 4.529 4.320 0.000 0.000 0.215 175 A C 1.165 178.688 177.584 -0.102 0.000 1.152 175 A CA 0.790 52.769 52.037 -0.097 0.000 0.716 175 A CB -0.932 18.059 19.000 -0.016 0.000 0.794 175 A HN 0.634 nan 8.150 nan 0.000 0.465 176 A N -0.342 122.403 122.820 -0.126 0.000 2.466 176 A HA 0.389 4.709 4.320 0.000 0.000 0.238 176 A C 1.258 178.756 177.584 -0.142 0.000 1.074 176 A CA -0.032 51.943 52.037 -0.103 0.000 0.774 176 A CB -0.053 18.889 19.000 -0.096 0.000 1.015 176 A HN 0.509 nan 8.150 nan 0.000 0.498 177 L N 0.027 121.194 121.223 -0.093 0.000 2.131 177 L HA -0.032 4.308 4.340 0.000 0.000 0.210 177 L C 0.703 177.490 176.870 -0.138 0.000 1.092 177 L CA 1.106 55.889 54.840 -0.096 0.000 0.759 177 L CB -0.400 41.624 42.059 -0.059 0.000 0.903 177 L HN 0.680 nan 8.230 nan 0.000 0.435 178 D N 0.224 120.529 120.400 -0.158 0.000 2.481 178 D HA 0.195 4.835 4.640 0.000 0.000 0.246 178 D C -1.905 174.192 176.300 -0.338 0.000 1.109 178 D CA -2.031 51.838 54.000 -0.218 0.000 0.845 178 D CB 2.275 42.990 40.800 -0.142 0.000 1.160 178 D HN -0.141 nan 8.370 nan 0.000 0.534 179 P HA 0.063 nan 4.420 nan 0.000 0.240 179 P C 0.375 177.336 177.300 -0.566 0.000 1.190 179 P CA -0.049 62.567 63.100 -0.807 0.000 0.781 179 P CB 0.597 31.323 31.700 -1.624 0.000 0.931 180 R N 0.131 120.425 120.500 -0.343 0.000 2.758 180 R HA 0.222 4.562 4.340 0.000 0.000 0.263 180 R C 1.327 177.587 176.300 -0.066 0.000 1.010 180 R CA 1.040 57.061 56.100 -0.131 0.000 1.114 180 R CB -0.702 29.472 30.300 -0.210 0.000 0.985 180 R HN 0.170 nan 8.270 nan 0.000 0.439 181 G N 1.392 110.214 108.800 0.037 0.000 2.212 181 G HA2 -0.305 3.655 3.960 0.000 0.000 0.267 181 G HA3 -0.305 3.655 3.960 0.000 0.000 0.267 181 G C 0.149 175.031 174.900 -0.030 0.000 1.002 181 G CA 0.723 45.803 45.100 -0.034 0.000 0.729 181 G HN 0.411 nan 8.290 nan 0.000 0.517 182 M N -0.951 118.686 119.600 0.062 0.000 2.811 182 M HA 0.697 5.177 4.480 0.000 0.000 0.303 182 M C 0.109 176.646 176.300 0.396 0.000 1.227 182 M CA -0.538 54.868 55.300 0.178 0.000 0.874 182 M CB 2.285 34.978 32.600 0.155 0.000 1.681 182 M HN 0.160 nan 8.290 nan 0.000 0.500 183 T N 1.202 116.018 114.554 0.437 0.000 2.993 183 T HA 0.468 4.818 4.350 0.000 0.000 0.312 183 T C -1.775 172.796 174.700 -0.214 0.000 1.115 183 T CA -0.699 61.571 62.100 0.284 0.000 1.027 183 T CB 1.310 70.286 68.868 0.180 0.000 1.116 183 T HN 0.560 nan 8.240 nan 0.000 0.464 184 L N 6.103 126.857 121.223 -0.782 0.000 2.361 184 L HA 0.624 4.964 4.340 0.000 0.000 0.278 184 L C -0.704 175.475 176.870 -1.151 0.000 1.113 184 L CA 0.072 54.075 54.840 -1.395 0.000 0.849 184 L CB 0.614 41.747 42.059 -1.542 0.000 1.155 184 L HN 0.485 nan 8.230 nan 0.000 0.452 185 V N 6.905 125.943 119.914 -1.461 0.000 2.333 185 V HA 0.485 4.605 4.120 0.000 0.000 0.274 185 V C 1.058 176.142 176.094 -1.684 0.000 1.028 185 V CA -0.040 61.024 62.300 -2.060 0.000 0.851 185 V CB 0.473 31.069 31.823 -2.044 0.000 1.000 185 V HN 1.101 nan 8.190 nan 0.000 0.456 186 A N 4.228 126.137 122.820 -1.519 0.000 2.790 186 A HA -0.124 4.196 4.320 0.000 0.000 0.277 186 A C 1.826 179.171 177.584 -0.398 0.000 1.435 186 A CA 1.438 53.119 52.037 -0.593 0.000 0.877 186 A CB -1.674 17.029 19.000 -0.495 0.000 1.007 186 A HN 2.560 nan 8.150 nan 0.000 0.613 187 G N -3.424 105.088 108.800 -0.480 0.000 2.168 187 G HA2 0.038 3.998 3.960 0.000 0.000 0.257 187 G HA3 0.038 3.998 3.960 0.000 0.000 0.257 187 G C 1.123 175.832 174.900 -0.318 0.000 0.997 187 G CA 1.516 46.408 45.100 -0.347 0.000 0.708 187 G HN 2.375 nan 8.290 nan 0.000 0.520 188 A N -1.004 121.558 122.820 -0.430 0.000 1.984 188 A HA 0.775 5.095 4.320 0.000 0.000 0.203 188 A C 0.605 178.170 177.584 -0.031 0.000 1.292 188 A CA 1.610 53.549 52.037 -0.164 0.000 0.782 188 A CB 0.371 19.317 19.000 -0.090 0.000 0.924 188 A HN 1.606 nan 8.150 nan 0.000 0.475 189 F N -5.229 114.516 119.950 -0.341 0.000 2.711 189 F HA 0.722 5.249 4.527 0.000 0.000 0.313 189 F C -1.699 173.869 175.800 -0.387 0.000 1.141 189 F CA -2.149 55.722 58.000 -0.215 0.000 0.941 189 F CB 0.345 39.286 39.000 -0.099 0.000 1.349 189 F HN 0.002 nan 8.300 nan 0.000 0.464 190 W N 1.498 122.839 121.300 0.068 0.000 2.496 190 W HA 0.799 5.459 4.660 0.000 0.000 0.327 190 W C -0.473 176.110 176.519 0.107 0.000 1.086 190 W CA -0.550 56.774 57.345 -0.035 0.000 1.222 190 W CB 1.967 31.420 29.460 -0.012 0.000 1.304 190 W HN 0.803 nan 8.180 nan 0.000 0.547 191 A N 2.351 125.303 122.820 0.220 0.000 2.435 191 A HA 0.521 4.841 4.320 0.000 0.000 0.304 191 A C -1.118 176.546 177.584 0.133 0.000 1.064 191 A CA -0.785 51.361 52.037 0.182 0.000 0.727 191 A CB 1.007 20.068 19.000 0.102 0.000 1.284 191 A HN 0.498 nan 8.150 nan 0.000 0.415 192 D N 1.061 121.525 120.400 0.107 0.000 2.414 192 D HA 0.204 4.844 4.640 0.000 0.000 0.242 192 D C 1.180 177.474 176.300 -0.010 0.000 1.129 192 D CA 0.148 54.183 54.000 0.059 0.000 0.885 192 D CB 0.890 41.735 40.800 0.075 0.000 1.198 192 D HN 0.418 nan 8.370 nan 0.000 0.437 193 I N 1.265 121.758 120.570 -0.128 0.000 2.500 193 I HA -0.153 4.017 4.170 0.000 0.000 0.252 193 I C 0.135 175.938 176.117 -0.524 0.000 1.142 193 I CA 0.843 61.908 61.300 -0.392 0.000 1.451 193 I CB 0.078 37.670 38.000 -0.680 0.000 1.093 193 I HN 0.293 nan 8.210 nan 0.000 0.430 194 Y N -0.144 120.189 120.300 0.055 0.000 2.524 194 Y HA 0.503 5.053 4.550 0.000 0.000 0.344 194 Y C -0.031 175.914 175.900 0.076 0.000 1.012 194 Y CA -1.235 56.909 58.100 0.073 0.000 1.068 194 Y CB 0.902 39.398 38.460 0.060 0.000 1.249 194 Y HN -0.227 nan 8.280 nan 0.000 0.468 195 L N 2.836 124.209 121.223 0.250 0.000 2.461 195 L HA 0.075 4.415 4.340 0.000 0.000 0.272 195 L C 0.079 177.058 176.870 0.181 0.000 1.197 195 L CA -0.415 54.532 54.840 0.179 0.000 0.836 195 L CB 0.213 42.366 42.059 0.157 0.000 1.105 195 L HN 0.498 nan 8.230 nan 0.000 0.477 196 L N 2.183 123.507 121.223 0.168 0.000 2.559 196 L HA 0.192 4.532 4.340 0.000 0.000 0.282 196 L C 0.619 177.619 176.870 0.217 0.000 1.232 196 L CA 0.644 55.603 54.840 0.199 0.000 0.885 196 L CB 0.429 42.641 42.059 0.254 0.000 1.131 196 L HN 0.587 nan 8.230 nan 0.000 0.498 197 G N 3.576 112.493 108.800 0.196 0.000 2.477 197 G HA2 0.432 4.392 3.960 0.000 0.000 0.304 197 G HA3 0.432 4.392 3.960 0.000 0.000 0.304 197 G C 0.716 175.740 174.900 0.206 0.000 1.175 197 G CA -0.264 44.931 45.100 0.158 0.000 0.907 197 G HN 0.648 nan 8.290 nan 0.000 0.509 198 V N 1.017 121.015 119.914 0.140 0.000 2.343 198 V HA -0.137 3.983 4.120 0.000 0.000 0.247 198 V C 1.766 177.865 176.094 0.009 0.000 1.051 198 V CA 1.281 63.648 62.300 0.112 0.000 1.036 198 V CB -0.290 31.576 31.823 0.071 0.000 0.654 198 V HN 0.635 nan 8.190 nan 0.000 0.451 199 N N 0.258 118.947 118.700 -0.018 0.000 2.466 199 N HA 0.006 4.746 4.740 0.000 0.000 0.251 199 N C 1.382 176.837 175.510 -0.092 0.000 1.164 199 N CA 0.261 53.253 53.050 -0.096 0.000 0.888 199 N CB 0.027 38.478 38.487 -0.059 0.000 1.177 199 N HN 0.807 nan 8.380 nan 0.000 0.498 200 H N -0.794 118.309 119.070 0.056 0.000 2.466 200 H HA -0.103 4.453 4.556 0.000 0.000 0.297 200 H C 1.862 177.260 175.328 0.116 0.000 1.113 200 H CA 1.069 57.160 56.048 0.072 0.000 1.273 200 H CB -0.419 29.428 29.762 0.141 0.000 1.371 200 H HN 0.214 nan 8.280 nan 0.000 0.528 201 L N 0.338 121.488 121.223 -0.121 0.000 2.131 201 L HA -0.088 4.253 4.340 0.000 0.000 0.210 201 L C 1.620 178.548 176.870 0.097 0.000 1.092 201 L CA 1.806 56.684 54.840 0.063 0.000 0.759 201 L CB -0.201 41.773 42.059 -0.142 0.000 0.903 201 L HN 0.700 nan 8.230 nan 0.000 0.435 202 T N -6.973 107.594 114.554 0.022 0.000 3.091 202 T HA 0.158 4.508 4.350 0.000 0.000 0.277 202 T C 0.624 175.325 174.700 0.003 0.000 0.996 202 T CA -0.346 61.764 62.100 0.016 0.000 0.897 202 T CB 0.305 69.168 68.868 -0.009 0.000 1.109 202 T HN 0.026 nan 8.240 nan 0.000 0.534 203 D N 1.047 121.453 120.400 0.009 0.000 2.500 203 D HA 0.344 4.984 4.640 0.000 0.000 0.218 203 D C 1.254 177.537 176.300 -0.029 0.000 1.140 203 D CA 0.681 54.674 54.000 -0.012 0.000 0.830 203 D CB 0.903 41.697 40.800 -0.010 0.000 1.055 203 D HN 0.636 nan 8.370 nan 0.000 0.512 204 G N 1.029 109.812 108.800 -0.028 0.000 2.846 204 G HA2 -0.307 3.653 3.960 0.000 0.000 0.660 204 G HA3 -0.307 3.653 3.960 0.000 0.000 0.660 204 G C 1.167 175.978 174.900 -0.149 0.000 1.464 204 G CA 0.323 45.331 45.100 -0.154 0.000 0.891 204 G HN 0.143 nan 8.290 nan 0.000 0.552 205 T N -2.558 111.820 114.554 -0.294 0.000 2.708 205 T HA 0.121 4.471 4.350 0.000 0.000 0.266 205 T C 1.649 176.366 174.700 0.028 0.000 1.037 205 T CA 2.192 64.226 62.100 -0.111 0.000 1.146 205 T CB -0.108 68.689 68.868 -0.120 0.000 0.865 205 T HN 1.766 nan 8.240 nan 0.000 0.435 206 S N 1.449 117.169 115.700 0.034 0.000 2.423 206 S HA 0.515 4.985 4.470 0.000 0.000 0.317 206 S C -0.721 173.992 174.600 0.188 0.000 1.065 206 S CA -0.848 57.450 58.200 0.163 0.000 1.111 206 S CB -0.046 63.234 63.200 0.134 0.000 0.968 206 S HN 0.487 nan 8.310 nan 0.000 0.474 207 K N 3.533 124.005 120.400 0.121 0.000 2.498 207 K HA 0.224 4.545 4.320 0.000 0.000 0.254 207 K C -1.645 174.634 176.600 -0.535 0.000 0.933 207 K CA -0.793 55.454 56.287 -0.067 0.000 0.806 207 K CB 1.515 33.983 32.500 -0.053 0.000 1.301 207 K HN 0.657 nan 8.250 nan 0.000 0.432 208 Y N 3.467 123.277 120.300 -0.816 0.000 2.377 208 Y HA 0.057 4.607 4.550 0.000 0.000 0.330 208 Y C 0.410 176.026 175.900 -0.473 0.000 1.108 208 Y CA 0.688 58.167 58.100 -1.035 0.000 1.308 208 Y CB 0.383 38.540 38.460 -0.505 0.000 1.216 208 Y HN 0.952 nan 8.280 nan 0.000 0.518 209 N N 2.588 120.623 118.700 -1.108 0.000 2.756 209 N HA -0.172 4.569 4.740 0.000 0.000 0.248 209 N C -1.714 173.545 175.510 -0.419 0.000 1.062 209 N CA 1.012 53.547 53.050 -0.858 0.000 0.696 209 N CB -1.153 36.663 38.487 -1.117 0.000 0.946 209 N HN 0.539 nan 8.380 nan 0.000 0.548 210 V N -3.694 116.040 119.914 -0.302 0.000 3.166 210 V HA 0.711 4.831 4.120 0.000 0.000 0.317 210 V C 0.884 176.917 176.094 -0.103 0.000 1.136 210 V CA -0.664 61.541 62.300 -0.160 0.000 1.035 210 V CB 1.594 33.355 31.823 -0.102 0.000 1.110 210 V HN 0.141 nan 8.190 nan 0.000 0.450 211 T N 2.721 117.246 114.554 -0.048 0.000 2.769 211 T HA 0.415 4.765 4.350 0.000 0.000 0.293 211 T C 0.267 174.995 174.700 0.047 0.000 0.931 211 T CA 0.173 62.270 62.100 -0.005 0.000 1.139 211 T CB -0.381 68.494 68.868 0.012 0.000 0.881 211 T HN 0.493 nan 8.240 nan 0.000 0.532 212 I N 2.924 123.533 120.570 0.065 0.000 2.668 212 I HA 0.124 4.294 4.170 0.000 0.000 0.285 212 I C 1.165 177.393 176.117 0.185 0.000 1.168 212 I CA -0.360 61.017 61.300 0.129 0.000 1.424 212 I CB 0.161 38.245 38.000 0.140 0.000 1.377 212 I HN 0.651 nan 8.210 nan 0.000 0.560 213 A N 6.259 129.229 122.820 0.250 0.000 2.477 213 A HA 0.360 4.680 4.320 0.000 0.000 0.246 213 A C -0.186 177.649 177.584 0.419 0.000 1.078 213 A CA -0.200 52.042 52.037 0.341 0.000 0.770 213 A CB 0.090 19.363 19.000 0.455 0.000 1.011 213 A HN 0.834 nan 8.150 nan 0.000 0.494 214 D N 0.789 121.433 120.400 0.407 0.000 2.867 214 D HA 0.453 5.093 4.640 0.000 0.000 0.308 214 D C 1.060 177.607 176.300 0.411 0.000 1.202 214 D CA 0.155 54.421 54.000 0.444 0.000 1.035 214 D CB 0.108 41.134 40.800 0.376 0.000 1.427 214 D HN 0.370 nan 8.370 nan 0.000 0.570 215 G N -0.392 108.625 108.800 0.362 0.000 2.421 215 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 215 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 215 G C 1.382 176.388 174.900 0.177 0.000 1.171 215 G CA 2.150 47.403 45.100 0.255 0.000 0.775 215 G HN 0.599 nan 8.290 nan 0.000 0.543 216 S N 0.972 116.782 115.700 0.183 0.000 2.335 216 S HA 0.305 4.775 4.470 0.000 0.000 0.217 216 S C 1.705 176.381 174.600 0.125 0.000 1.032 216 S CA 0.947 59.229 58.200 0.137 0.000 0.985 216 S CB -0.360 62.925 63.200 0.141 0.000 0.896 216 S HN 0.726 nan 8.310 nan 0.000 0.445 217 A N 3.019 125.928 122.820 0.147 0.000 3.016 217 A HA 0.624 4.944 4.320 0.000 0.000 0.303 217 A C 0.609 178.290 177.584 0.161 0.000 1.507 217 A CA -0.442 51.672 52.037 0.129 0.000 1.196 217 A CB -0.635 18.433 19.000 0.113 0.000 1.169 217 A HN 0.626 nan 8.150 nan 0.000 0.544 218 S N 2.432 118.218 115.700 0.143 0.000 2.584 218 S HA 0.432 4.902 4.470 0.000 0.000 0.270 218 S C -2.263 172.421 174.600 0.139 0.000 1.346 218 S CA -0.984 57.298 58.200 0.137 0.000 1.018 218 S CB 0.144 63.408 63.200 0.107 0.000 0.899 218 S HN 0.502 nan 8.310 nan 0.000 0.542 219 P HA 0.112 nan 4.420 nan 0.000 0.269 219 P C -0.446 176.981 177.300 0.211 0.000 1.215 219 P CA -0.383 62.852 63.100 0.226 0.000 0.780 219 P CB 0.384 32.244 31.700 0.268 0.000 0.898 220 K N 1.920 122.339 120.400 0.031 0.000 2.527 220 K HA -0.022 4.298 4.320 0.000 0.000 0.278 220 K C 0.752 177.278 176.600 -0.123 0.000 0.981 220 K CA 0.348 56.550 56.287 -0.141 0.000 1.009 220 K CB 0.269 32.570 32.500 -0.332 0.000 0.895 220 K HN 0.439 nan 8.250 nan 0.000 0.493 221 K N 1.751 121.888 120.400 -0.437 0.000 2.451 221 K HA -0.051 4.269 4.320 0.000 0.000 0.280 221 K C 0.157 176.598 176.600 -0.265 0.000 1.020 221 K CA 0.245 56.037 56.287 -0.825 0.000 1.008 221 K CB 0.513 32.557 32.500 -0.759 0.000 0.917 221 K HN 0.559 nan 8.250 nan 0.000 0.478 222 S N 2.487 118.174 115.700 -0.021 0.000 2.537 222 S HA -0.029 4.441 4.470 0.000 0.000 0.286 222 S C 1.406 176.057 174.600 0.084 0.000 1.299 222 S CA 0.073 58.313 58.200 0.066 0.000 1.067 222 S CB 0.685 64.068 63.200 0.305 0.000 0.864 222 S HN 0.705 nan 8.310 nan 0.000 0.494 223 T N 2.800 117.381 114.554 0.046 0.000 2.995 223 T HA 0.054 4.404 4.350 0.000 0.000 0.269 223 T C 1.348 176.095 174.700 0.078 0.000 1.091 223 T CA 0.693 62.834 62.100 0.068 0.000 1.128 223 T CB -0.207 68.705 68.868 0.072 0.000 0.891 223 T HN 0.711 nan 8.240 nan 0.000 0.492 224 K N 0.062 120.552 120.400 0.151 0.000 2.366 224 K HA 0.166 4.486 4.320 0.000 0.000 0.198 224 K C -0.127 176.220 176.600 -0.421 0.000 1.044 224 K CA 0.590 56.789 56.287 -0.147 0.000 0.973 224 K CB 0.017 32.380 32.500 -0.227 0.000 0.767 224 K HN 0.423 nan 8.250 nan 0.000 0.475 225 F N 0.261 120.250 119.950 0.066 0.000 2.831 225 F HA 0.271 4.798 4.527 0.000 0.000 0.355 225 F C 0.847 176.657 175.800 0.018 0.000 1.341 225 F CA -0.569 57.459 58.000 0.048 0.000 1.201 225 F CB 1.105 40.153 39.000 0.079 0.000 1.058 225 F HN 0.056 nan 8.300 nan 0.000 0.514 226 G N 0.277 109.127 108.800 0.084 0.000 2.153 226 G HA2 -0.217 3.743 3.960 0.000 0.000 0.252 226 G HA3 -0.217 3.743 3.960 0.000 0.000 0.252 226 G C 0.602 175.503 174.900 0.002 0.000 0.994 226 G CA -0.108 45.014 45.100 0.037 0.000 0.698 226 G HN 0.857 nan 8.290 nan 0.000 0.521 227 G N 0.156 108.952 108.800 -0.007 0.000 2.370 227 G HA2 0.500 4.460 3.960 0.000 0.000 0.272 227 G HA3 0.500 4.460 3.960 0.000 0.000 0.272 227 G C 0.886 175.750 174.900 -0.062 0.000 1.208 227 G CA 0.619 45.673 45.100 -0.077 0.000 0.856 227 G HN 0.394 nan 8.290 nan 0.000 0.500 228 D N 1.195 121.550 120.400 -0.074 0.000 2.178 228 D HA 0.039 4.679 4.640 0.000 0.000 0.202 228 D C 1.665 177.932 176.300 -0.054 0.000 0.974 228 D CA 1.521 55.487 54.000 -0.055 0.000 0.841 228 D CB -0.117 40.650 40.800 -0.055 0.000 0.953 228 D HN 0.990 nan 8.370 nan 0.000 0.478 229 G N -1.056 107.698 108.800 -0.076 0.000 2.617 229 G HA2 -0.231 3.729 3.960 0.000 0.000 0.197 229 G HA3 -0.231 3.729 3.960 0.000 0.000 0.197 229 G C 1.340 176.187 174.900 -0.088 0.000 1.017 229 G CA 0.468 45.524 45.100 -0.073 0.000 0.713 229 G HN 0.378 nan 8.290 nan 0.000 0.481 230 S N 0.501 116.152 115.700 -0.082 0.000 2.506 230 S HA 0.605 5.075 4.470 0.000 0.000 0.230 230 S C 1.440 175.984 174.600 -0.093 0.000 1.066 230 S CA 0.930 59.083 58.200 -0.078 0.000 0.940 230 S CB 0.194 63.360 63.200 -0.057 0.000 0.818 230 S HN 1.540 nan 8.310 nan 0.000 0.518 231 A N 1.933 124.689 122.820 -0.105 0.000 2.498 231 A HA 0.651 4.971 4.320 0.000 0.000 0.239 231 A C 0.556 178.037 177.584 -0.172 0.000 1.068 231 A CA 0.059 52.023 52.037 -0.121 0.000 0.766 231 A CB -0.121 18.805 19.000 -0.125 0.000 1.003 231 A HN 0.495 nan 8.150 nan 0.000 0.497 232 A N 1.504 124.241 122.820 -0.139 0.000 2.336 232 A HA 0.693 5.013 4.320 0.000 0.000 0.291 232 A C -0.347 177.107 177.584 -0.215 0.000 1.266 232 A CA -0.368 51.584 52.037 -0.141 0.000 0.891 232 A CB 0.022 19.006 19.000 -0.027 0.000 1.366 232 A HN 0.751 nan 8.150 nan 0.000 0.507 233 Y N -0.490 119.783 120.300 -0.045 0.000 2.334 233 Y HA 0.267 4.817 4.550 0.000 0.000 0.325 233 Y C 2.169 178.049 175.900 -0.034 0.000 1.308 233 Y CA 0.591 58.661 58.100 -0.051 0.000 1.389 233 Y CB 0.975 39.381 38.460 -0.089 0.000 1.328 233 Y HN 0.757 nan 8.280 nan 0.000 0.532 234 S N -0.658 115.132 115.700 0.151 0.000 2.356 234 S HA -0.111 4.359 4.470 0.000 0.000 0.223 234 S C 0.020 174.665 174.600 0.075 0.000 1.032 234 S CA 1.633 59.880 58.200 0.079 0.000 1.005 234 S CB -0.539 62.693 63.200 0.054 0.000 0.867 234 S HN 0.797 nan 8.310 nan 0.000 0.449 235 D N -1.429 119.019 120.400 0.081 0.000 2.798 235 D HA 0.537 5.177 4.640 0.000 0.000 0.308 235 D C -0.086 176.251 176.300 0.062 0.000 1.187 235 D CA -0.408 53.634 54.000 0.070 0.000 1.033 235 D CB 0.513 41.342 40.800 0.048 0.000 1.445 235 D HN 0.125 nan 8.370 nan 0.000 0.550 236 G N -0.789 108.107 108.800 0.160 0.000 4.198 236 G HA2 0.548 4.508 3.960 0.000 0.000 0.282 236 G HA3 0.548 4.508 3.960 0.000 0.000 0.282 236 G C 0.106 175.338 174.900 0.555 0.000 1.262 236 G CA -0.149 45.144 45.100 0.322 0.000 1.473 236 G HN 0.638 nan 8.290 nan 0.000 0.624 237 A N 0.078 123.039 122.820 0.236 0.000 2.351 237 A HA 0.399 4.719 4.320 0.000 0.000 0.257 237 A C 0.979 178.514 177.584 -0.082 0.000 1.087 237 A CA -0.535 51.627 52.037 0.209 0.000 0.798 237 A CB 0.535 19.627 19.000 0.155 0.000 1.033 237 A HN 0.658 nan 8.150 nan 0.000 0.488 238 W N 1.247 121.925 121.300 -1.036 0.000 2.302 238 W HA -0.316 4.344 4.660 0.000 0.000 0.320 238 W C 1.334 177.440 176.519 -0.689 0.000 1.241 238 W CA 2.500 58.899 57.345 -1.577 0.000 1.264 238 W CB -0.505 27.852 29.460 -1.838 0.000 1.154 238 W HN 0.804 nan 8.180 nan 0.000 0.483 239 Y N 1.051 121.310 120.300 -0.069 0.000 2.181 239 Y HA -0.365 4.185 4.550 0.000 0.000 0.284 239 Y C 2.495 178.111 175.900 -0.474 0.000 1.179 239 Y CA 2.190 60.201 58.100 -0.148 0.000 1.179 239 Y CB -1.329 37.114 38.460 -0.028 0.000 0.973 239 Y HN 0.070 nan 8.280 nan 0.000 0.519 240 N N -0.820 117.643 118.700 -0.395 0.000 2.135 240 N HA -0.127 4.613 4.740 0.000 0.000 0.186 240 N C 1.737 176.769 175.510 -0.796 0.000 1.027 240 N CA 1.296 53.853 53.050 -0.822 0.000 0.849 240 N CB -0.767 37.113 38.487 -1.011 0.000 1.002 240 N HN 0.253 nan 8.380 nan 0.000 0.425 241 F N 1.637 121.287 119.950 -0.500 0.000 2.084 241 F HA -0.004 4.523 4.527 0.000 0.000 0.296 241 F C 2.478 177.987 175.800 -0.485 0.000 1.111 241 F CA 0.936 58.707 58.000 -0.382 0.000 1.224 241 F CB -0.929 37.944 39.000 -0.212 0.000 0.991 241 F HN -0.015 nan 8.300 nan 0.000 0.471 242 A N -0.166 122.282 122.820 -0.619 0.000 1.903 242 A HA -0.330 3.990 4.320 0.000 0.000 0.219 242 A C 2.182 179.505 177.584 -0.435 0.000 1.191 242 A CA 2.275 53.892 52.037 -0.700 0.000 0.638 242 A CB -1.104 17.100 19.000 -1.327 0.000 0.823 242 A HN 0.484 nan 8.150 nan 0.000 0.451 243 E N -0.605 119.308 120.200 -0.478 0.000 2.110 243 E HA -0.130 4.220 4.350 0.000 0.000 0.193 243 E C 1.912 178.345 176.600 -0.278 0.000 0.988 243 E CA 1.337 57.439 56.400 -0.497 0.000 0.804 243 E CB -0.112 29.224 29.700 -0.607 0.000 0.745 243 E HN 0.380 nan 8.360 nan 0.000 0.458 244 V N 0.936 120.716 119.914 -0.223 0.000 2.307 244 V HA -0.268 3.852 4.120 0.000 0.000 0.245 244 V C 2.401 178.476 176.094 -0.032 0.000 1.045 244 V CA 1.370 63.577 62.300 -0.156 0.000 1.024 244 V CB -0.345 31.320 31.823 -0.263 0.000 0.651 244 V HN 0.390 nan 8.190 nan 0.000 0.449 245 M N -0.177 119.414 119.600 -0.016 0.000 2.149 245 M HA -0.147 4.333 4.480 0.000 0.000 0.261 245 M C 2.231 178.577 176.300 0.077 0.000 1.064 245 M CA 1.908 57.244 55.300 0.060 0.000 1.102 245 M CB -1.846 30.758 32.600 0.007 0.000 1.369 245 M HN 0.385 nan 8.290 nan 0.000 0.408 246 T N -0.880 113.695 114.554 0.034 0.000 2.821 246 T HA -0.162 4.188 4.350 0.000 0.000 0.267 246 T C 1.780 176.568 174.700 0.147 0.000 1.046 246 T CA 1.237 63.390 62.100 0.087 0.000 1.139 246 T CB -0.516 68.402 68.868 0.082 0.000 0.871 246 T HN 0.436 nan 8.240 nan 0.000 0.454 247 H N 1.161 120.264 119.070 0.054 0.000 2.422 247 H HA -0.108 4.448 4.556 0.000 0.000 0.298 247 H C 1.026 176.223 175.328 -0.217 0.000 1.098 247 H CA 1.539 57.552 56.048 -0.059 0.000 1.315 247 H CB -0.101 29.557 29.762 -0.173 0.000 1.382 247 H HN 0.541 nan 8.280 nan 0.000 0.523 248 H N -1.299 117.845 119.070 0.123 0.000 2.505 248 H HA 0.229 4.785 4.556 0.000 0.000 0.289 248 H C 1.213 176.536 175.328 -0.008 0.000 1.052 248 H CA 0.286 56.361 56.048 0.045 0.000 1.156 248 H CB 0.519 30.339 29.762 0.096 0.000 1.507 248 H HN 0.524 nan 8.280 nan 0.000 0.548 249 G N 1.360 110.200 108.800 0.066 0.000 2.249 249 G HA2 -0.323 3.637 3.960 0.000 0.000 0.273 249 G HA3 -0.323 3.637 3.960 0.000 0.000 0.273 249 G C 0.078 175.008 174.900 0.049 0.000 1.036 249 G CA 0.511 45.633 45.100 0.037 0.000 0.824 249 G HN 0.408 nan 8.290 nan 0.000 0.504 250 K N -0.982 119.464 120.400 0.076 0.000 2.279 250 K HA 0.846 5.166 4.320 0.000 0.000 0.238 250 K C 0.636 177.266 176.600 0.050 0.000 1.084 250 K CA -0.882 55.444 56.287 0.066 0.000 0.885 250 K CB 1.569 34.117 32.500 0.079 0.000 1.319 250 K HN 0.466 nan 8.250 nan 0.000 0.494 251 R N -0.536 119.989 120.500 0.043 0.000 2.929 251 R HA 0.499 4.839 4.340 0.000 0.000 0.259 251 R C -1.215 175.101 176.300 0.027 0.000 1.141 251 R CA -0.948 55.165 56.100 0.021 0.000 0.991 251 R CB 0.367 30.683 30.300 0.027 0.000 1.287 251 R HN 0.340 nan 8.270 nan 0.000 0.450 252 L N 1.730 122.966 121.223 0.021 0.000 2.357 252 L HA 0.507 4.847 4.340 0.000 0.000 0.273 252 L C -2.022 174.902 176.870 0.090 0.000 1.080 252 L CA -2.408 52.466 54.840 0.057 0.000 0.803 252 L CB 1.616 43.700 42.059 0.042 0.000 1.174 252 L HN 0.484 nan 8.230 nan 0.000 0.443 253 P HA 0.023 nan 4.420 nan 0.000 0.271 253 P C -0.835 176.545 177.300 0.134 0.000 1.216 253 P CA -0.157 63.003 63.100 0.100 0.000 0.771 253 P CB 0.736 32.562 31.700 0.211 0.000 0.864 254 N N 1.803 120.523 118.700 0.034 0.000 2.322 254 N HA 0.018 4.758 4.740 0.000 0.000 0.270 254 N C 1.065 176.582 175.510 0.011 0.000 1.286 254 N CA -0.339 52.772 53.050 0.101 0.000 0.948 254 N CB 0.137 38.659 38.487 0.059 0.000 1.164 254 N HN 0.448 nan 8.380 nan 0.000 0.551 255 Y N 0.444 120.699 120.300 -0.075 0.000 2.153 255 Y HA -0.252 4.299 4.550 0.000 0.000 0.289 255 Y C 2.275 178.075 175.900 -0.167 0.000 1.127 255 Y CA 1.306 59.245 58.100 -0.268 0.000 1.131 255 Y CB -0.036 38.513 38.460 0.149 0.000 0.995 255 Y HN 0.622 nan 8.280 nan 0.000 0.505 256 N N 0.733 119.423 118.700 -0.016 0.000 2.137 256 N HA -0.261 4.479 4.740 0.000 0.000 0.190 256 N C 1.180 176.648 175.510 -0.070 0.000 1.017 256 N CA 2.157 55.158 53.050 -0.083 0.000 0.859 256 N CB -0.878 37.582 38.487 -0.045 0.000 1.002 256 N HN 0.535 nan 8.380 nan 0.000 0.428 257 E N -0.549 119.571 120.200 -0.133 0.000 2.046 257 E HA -0.079 4.271 4.350 0.000 0.000 0.190 257 E C 1.699 178.306 176.600 0.013 0.000 0.982 257 E CA 0.773 57.027 56.400 -0.243 0.000 0.800 257 E CB -0.303 29.023 29.700 -0.623 0.000 0.756 257 E HN 0.331 nan 8.360 nan 0.000 0.449 258 F N 2.204 122.046 119.950 -0.180 0.000 2.102 258 F HA -0.252 4.275 4.527 0.000 0.000 0.298 258 F C 2.647 178.416 175.800 -0.051 0.000 1.105 258 F CA 1.927 59.837 58.000 -0.149 0.000 1.239 258 F CB -0.143 38.599 39.000 -0.430 0.000 0.991 258 F HN -0.047 nan 8.300 nan 0.000 0.474 259 Q N 0.388 120.235 119.800 0.078 0.000 2.082 259 Q HA -0.324 4.016 4.340 0.000 0.000 0.211 259 Q C 2.212 178.246 176.000 0.057 0.000 1.002 259 Q CA 2.310 58.136 55.803 0.038 0.000 0.868 259 Q CB -0.517 28.164 28.738 -0.095 0.000 0.931 259 Q HN 0.528 nan 8.270 nan 0.000 0.414 260 A N 0.896 123.748 122.820 0.052 0.000 1.855 260 A HA -0.157 4.163 4.320 0.000 0.000 0.215 260 A C 2.087 179.702 177.584 0.053 0.000 1.191 260 A CA 1.540 53.614 52.037 0.061 0.000 0.613 260 A CB -0.913 18.089 19.000 0.004 0.000 0.829 260 A HN 0.580 nan 8.150 nan 0.000 0.442 261 L N -1.951 119.255 121.223 -0.028 0.000 2.191 261 L HA 0.100 4.440 4.340 0.000 0.000 0.212 261 L C 2.068 178.914 176.870 -0.039 0.000 1.103 261 L CA 2.359 57.140 54.840 -0.098 0.000 0.769 261 L CB -0.649 41.387 42.059 -0.038 0.000 0.908 261 L HN 0.204 nan 8.230 nan 0.000 0.438 262 A N -1.231 121.467 122.820 -0.204 0.000 2.267 262 A HA 0.225 4.545 4.320 0.000 0.000 0.213 262 A C 0.876 178.465 177.584 0.009 0.000 1.192 262 A CA -0.524 51.380 52.037 -0.220 0.000 0.851 262 A CB -0.751 17.862 19.000 -0.645 0.000 0.881 262 A HN 0.399 nan 8.150 nan 0.000 0.494 263 F N 0.987 120.935 119.950 -0.004 0.000 2.642 263 F HA 0.279 4.806 4.527 0.000 0.000 0.371 263 F C 1.442 177.198 175.800 -0.073 0.000 1.120 263 F CA 1.760 59.764 58.000 0.006 0.000 1.331 263 F CB 0.477 39.531 39.000 0.089 0.000 1.044 263 F HN 0.429 nan 8.300 nan 0.000 0.594 264 G N 2.849 111.248 108.800 -0.668 0.000 2.176 264 G HA2 -0.268 3.692 3.960 0.000 0.000 0.253 264 G HA3 -0.268 3.692 3.960 0.000 0.000 0.253 264 G C 0.329 175.094 174.900 -0.225 0.000 0.979 264 G CA 0.197 45.055 45.100 -0.403 0.000 0.641 264 G HN 0.972 nan 8.290 nan 0.000 0.530 265 T N 1.089 115.543 114.554 -0.167 0.000 2.849 265 T HA 0.523 4.873 4.350 0.000 0.000 0.284 265 T C 1.055 175.690 174.700 -0.108 0.000 1.004 265 T CA 0.779 62.837 62.100 -0.071 0.000 1.021 265 T CB 0.407 69.315 68.868 0.067 0.000 1.013 265 T HN 0.555 nan 8.240 nan 0.000 0.527 266 T N 4.419 118.913 114.554 -0.099 0.000 2.775 266 T HA 0.185 4.535 4.350 0.000 0.000 0.281 266 T C 0.217 174.917 174.700 -0.001 0.000 0.908 266 T CA -0.743 61.292 62.100 -0.108 0.000 1.123 266 T CB -0.058 68.691 68.868 -0.199 0.000 0.879 266 T HN 0.513 nan 8.240 nan 0.000 0.547 267 E N 2.107 122.288 120.200 -0.031 0.000 2.422 267 E HA 0.336 4.686 4.350 0.000 0.000 0.260 267 E C 1.053 177.675 176.600 0.037 0.000 1.108 267 E CA 0.039 56.444 56.400 0.008 0.000 0.943 267 E CB 0.127 29.811 29.700 -0.027 0.000 0.961 267 E HN 0.889 nan 8.360 nan 0.000 0.443 268 A N 1.080 123.930 122.820 0.050 0.000 2.869 268 A HA -0.170 4.150 4.320 0.000 0.000 0.280 268 A C -0.038 177.587 177.584 0.068 0.000 1.458 268 A CA 1.409 53.474 52.037 0.047 0.000 0.776 268 A CB -2.129 16.890 19.000 0.030 0.000 1.028 268 A HN 0.454 nan 8.150 nan 0.000 0.547 269 T N -0.265 114.363 114.554 0.123 0.000 2.923 269 T HA 0.668 5.018 4.350 0.000 0.000 0.311 269 T C -0.250 174.589 174.700 0.233 0.000 1.183 269 T CA 0.121 62.337 62.100 0.193 0.000 1.020 269 T CB 1.980 70.989 68.868 0.235 0.000 1.165 269 T HN 0.603 nan 8.240 nan 0.000 0.482 270 S N 0.583 116.394 115.700 0.185 0.000 2.607 270 S HA 0.485 4.955 4.470 0.000 0.000 0.303 270 S C 1.447 176.181 174.600 0.223 0.000 1.086 270 S CA -0.678 57.558 58.200 0.060 0.000 0.995 270 S CB 1.875 65.081 63.200 0.010 0.000 1.084 270 S HN 0.786 nan 8.310 nan 0.000 0.507 271 S N 1.514 117.253 115.700 0.065 0.000 2.382 271 S HA 0.107 4.577 4.470 0.000 0.000 0.228 271 S C 1.112 175.849 174.600 0.229 0.000 1.027 271 S CA 1.670 60.021 58.200 0.251 0.000 0.991 271 S CB -1.080 62.219 63.200 0.166 0.000 0.823 271 S HN 1.569 nan 8.310 nan 0.000 0.469 272 G N -0.559 108.378 108.800 0.229 0.000 2.750 272 G HA2 0.323 4.283 3.960 0.000 0.000 0.228 272 G HA3 0.323 4.283 3.960 0.000 0.000 0.228 272 G C 0.682 175.680 174.900 0.164 0.000 1.367 272 G CA -0.277 44.945 45.100 0.204 0.000 0.871 272 G HN 1.852 nan 8.290 nan 0.000 0.560 273 G N -2.768 106.093 108.800 0.103 0.000 2.584 273 G HA2 0.289 4.249 3.960 0.000 0.000 0.229 273 G HA3 0.289 4.249 3.960 0.000 0.000 0.229 273 G C 1.134 176.000 174.900 -0.056 0.000 1.320 273 G CA 1.830 46.924 45.100 -0.010 0.000 0.891 273 G HN 2.699 nan 8.290 nan 0.000 0.573 274 T N -2.879 111.520 114.554 -0.260 0.000 2.985 274 T HA 0.515 4.865 4.350 0.000 0.000 0.254 274 T C 0.307 174.533 174.700 -0.790 0.000 1.021 274 T CA 1.431 63.379 62.100 -0.253 0.000 0.957 274 T CB 0.685 69.491 68.868 -0.104 0.000 1.047 274 T HN 0.963 nan 8.240 nan 0.000 0.511 275 D N -0.387 119.212 120.400 -1.335 0.000 2.683 275 D HA 0.432 5.072 4.640 0.000 0.000 0.246 275 D C -1.851 173.791 176.300 -1.096 0.000 1.238 275 D CA -0.521 52.497 54.000 -1.637 0.000 0.759 275 D CB 2.062 42.457 40.800 -0.674 0.000 1.349 275 D HN -0.044 nan 8.370 nan 0.000 0.426 276 V N 3.604 123.065 119.914 -0.755 0.000 2.320 276 V HA 0.348 4.468 4.120 0.000 0.000 0.268 276 V C -1.651 174.397 176.094 -0.076 0.000 1.021 276 V CA -0.954 61.233 62.300 -0.188 0.000 0.813 276 V CB 1.271 33.145 31.823 0.086 0.000 1.054 276 V HN 0.478 nan 8.190 nan 0.000 0.444 277 P HA 0.118 nan 4.420 nan 0.000 0.228 277 P C 0.428 177.713 177.300 -0.026 0.000 1.166 277 P CA 0.617 63.688 63.100 -0.048 0.000 0.812 277 P CB 0.643 32.299 31.700 -0.074 0.000 0.857 278 T N -0.300 114.224 114.554 -0.049 0.000 2.909 278 T HA 0.384 4.734 4.350 0.000 0.000 0.299 278 T C -0.515 174.126 174.700 -0.098 0.000 1.073 278 T CA -0.487 61.559 62.100 -0.091 0.000 0.999 278 T CB 1.652 70.434 68.868 -0.143 0.000 1.098 278 T HN -0.045 nan 8.240 nan 0.000 0.477 279 T N -0.051 114.419 114.554 -0.140 0.000 2.851 279 T HA 0.503 4.853 4.350 0.000 0.000 0.298 279 T C 1.515 176.041 174.700 -0.290 0.000 0.977 279 T CA 0.203 62.236 62.100 -0.111 0.000 1.126 279 T CB 0.704 69.511 68.868 -0.103 0.000 0.916 279 T HN 1.299 nan 8.240 nan 0.000 0.529 280 G N 1.268 109.966 108.800 -0.171 0.000 2.253 280 G HA2 -0.246 3.714 3.960 0.000 0.000 0.251 280 G HA3 -0.246 3.714 3.960 0.000 0.000 0.251 280 G C 0.117 174.388 174.900 -1.049 0.000 0.998 280 G CA 0.075 44.871 45.100 -0.506 0.000 0.621 280 G HN 1.031 nan 8.290 nan 0.000 0.524 281 V N 1.266 120.855 119.914 -0.542 0.000 3.093 281 V HA 0.590 4.710 4.120 0.000 0.000 0.320 281 V C 0.615 176.716 176.094 0.012 0.000 1.093 281 V CA -0.990 61.104 62.300 -0.343 0.000 1.016 281 V CB 1.391 33.100 31.823 -0.191 0.000 1.096 281 V HN 0.388 nan 8.190 nan 0.000 0.452 282 N N 1.728 120.558 118.700 0.216 0.000 2.326 282 N HA 0.173 4.913 4.740 0.000 0.000 0.239 282 N C 0.021 175.600 175.510 0.115 0.000 1.301 282 N CA 0.387 53.597 53.050 0.265 0.000 0.909 282 N CB 0.548 39.184 38.487 0.249 0.000 1.156 282 N HN 0.852 nan 8.380 nan 0.000 0.462 283 G N -0.673 108.185 108.800 0.097 0.000 2.507 283 G HA2 0.153 4.113 3.960 0.000 0.000 0.271 283 G HA3 0.153 4.113 3.960 0.000 0.000 0.271 283 G C -0.315 174.546 174.900 -0.064 0.000 1.189 283 G CA -0.455 44.631 45.100 -0.024 0.000 0.859 283 G HN 0.394 nan 8.290 nan 0.000 0.542 284 T N 0.665 115.129 114.554 -0.151 0.000 2.734 284 T HA 0.364 4.714 4.350 0.000 0.000 0.269 284 T C 1.444 176.077 174.700 -0.112 0.000 0.964 284 T CA 1.025 63.046 62.100 -0.131 0.000 1.226 284 T CB 0.013 68.778 68.868 -0.173 0.000 0.910 284 T HN 1.755 nan 8.240 nan 0.000 0.534 285 G N 2.487 111.257 108.800 -0.049 0.000 2.198 285 G HA2 -0.056 3.904 3.960 0.000 0.000 0.257 285 G HA3 -0.056 3.904 3.960 0.000 0.000 0.257 285 G C 0.286 175.185 174.900 -0.001 0.000 1.042 285 G CA -0.305 44.782 45.100 -0.022 0.000 0.791 285 G HN 1.223 nan 8.290 nan 0.000 0.502 286 A N -0.261 122.568 122.820 0.015 0.000 2.498 286 A HA 0.647 4.967 4.320 0.000 0.000 0.239 286 A C 1.774 179.405 177.584 0.078 0.000 1.068 286 A CA 1.399 53.474 52.037 0.063 0.000 0.766 286 A CB 0.236 19.300 19.000 0.106 0.000 1.003 286 A HN 1.677 nan 8.150 nan 0.000 0.497 287 T N 0.210 114.823 114.554 0.098 0.000 2.668 287 T HA 0.016 4.366 4.350 0.000 0.000 0.258 287 T C 0.936 175.681 174.700 0.076 0.000 1.051 287 T CA 1.276 63.425 62.100 0.081 0.000 1.155 287 T CB -0.710 68.209 68.868 0.085 0.000 0.864 287 T HN 1.066 nan 8.240 nan 0.000 0.413 288 S N 1.138 116.904 115.700 0.110 0.000 2.638 288 S HA 0.821 5.291 4.470 0.000 0.000 0.298 288 S C 0.003 174.657 174.600 0.090 0.000 1.111 288 S CA -0.817 57.414 58.200 0.052 0.000 1.027 288 S CB 1.479 64.662 63.200 -0.027 0.000 1.064 288 S HN 0.800 nan 8.310 nan 0.000 0.525 289 A N 2.063 124.870 122.820 -0.021 0.000 2.346 289 A HA 0.375 4.695 4.320 0.000 0.000 0.252 289 A C 1.253 178.865 177.584 0.047 0.000 1.089 289 A CA -0.521 51.513 52.037 -0.006 0.000 0.797 289 A CB -0.250 18.661 19.000 -0.148 0.000 1.047 289 A HN 1.183 nan 8.150 nan 0.000 0.494 290 W N 2.254 123.642 121.300 0.147 0.000 2.338 290 W HA -0.242 4.418 4.660 0.000 0.000 0.304 290 W C 1.200 177.830 176.519 0.185 0.000 1.212 290 W CA 1.507 58.988 57.345 0.226 0.000 1.264 290 W CB -0.914 28.660 29.460 0.191 0.000 1.142 290 W HN 0.884 nan 8.180 nan 0.000 0.512 291 N N 1.402 119.523 118.700 -0.966 0.000 2.550 291 N HA -0.153 4.587 4.740 0.000 0.000 0.186 291 N C 1.457 176.687 175.510 -0.467 0.000 1.110 291 N CA 1.085 53.540 53.050 -0.992 0.000 0.912 291 N CB -0.542 37.061 38.487 -1.473 0.000 0.968 291 N HN 0.128 nan 8.380 nan 0.000 0.448 292 I N 0.402 120.689 120.570 -0.471 0.000 2.493 292 I HA -0.122 4.048 4.170 0.000 0.000 0.254 292 I C 0.590 176.344 176.117 -0.606 0.000 1.160 292 I CA 0.865 61.805 61.300 -0.600 0.000 1.445 292 I CB -0.948 36.551 38.000 -0.835 0.000 1.086 292 I HN -0.013 nan 8.210 nan 0.000 0.433 293 F N 0.891 120.830 119.950 -0.019 0.000 2.819 293 F HA 0.207 4.734 4.527 0.000 0.000 0.294 293 F C 0.925 176.760 175.800 0.058 0.000 1.166 293 F CA -0.341 57.678 58.000 0.030 0.000 1.374 293 F CB -0.688 38.360 39.000 0.081 0.000 0.956 293 F HN -0.223 nan 8.300 nan 0.000 0.509 294 T N 0.118 114.737 114.554 0.109 0.000 2.882 294 T HA 0.407 4.757 4.350 0.000 0.000 0.287 294 T C 0.487 175.210 174.700 0.039 0.000 0.992 294 T CA -0.631 61.531 62.100 0.104 0.000 1.076 294 T CB 1.340 70.253 68.868 0.075 0.000 0.961 294 T HN 0.268 nan 8.240 nan 0.000 0.490 295 S N 1.781 117.513 115.700 0.052 0.000 2.707 295 S HA 0.339 4.809 4.470 0.000 0.000 0.276 295 S C 1.408 175.984 174.600 -0.040 0.000 1.179 295 S CA -0.961 57.253 58.200 0.023 0.000 0.992 295 S CB 0.990 64.245 63.200 0.092 0.000 1.030 295 S HN 0.761 nan 8.310 nan 0.000 0.554 296 K N -0.244 120.067 120.400 -0.148 0.000 2.173 296 K HA -0.113 4.207 4.320 0.000 0.000 0.207 296 K C 0.521 176.803 176.600 -0.531 0.000 1.046 296 K CA 1.721 57.740 56.287 -0.446 0.000 0.929 296 K CB -0.090 31.879 32.500 -0.886 0.000 0.720 296 K HN 0.822 nan 8.250 nan 0.000 0.453 297 W N 0.106 121.343 121.300 -0.106 0.000 3.239 297 W HA 0.286 4.946 4.660 0.000 0.000 0.348 297 W C 0.686 177.201 176.519 -0.006 0.000 1.183 297 W CA 0.550 57.778 57.345 -0.195 0.000 1.819 297 W CB 0.293 29.515 29.460 -0.396 0.000 1.091 297 W HN 0.438 nan 8.180 nan 0.000 0.629 298 G N 1.249 110.149 108.800 0.167 0.000 2.149 298 G HA2 -0.258 3.702 3.960 0.000 0.000 0.235 298 G HA3 -0.258 3.702 3.960 0.000 0.000 0.235 298 G C -0.256 174.699 174.900 0.091 0.000 1.018 298 G CA -0.110 45.081 45.100 0.150 0.000 0.728 298 G HN -0.032 nan 8.290 nan 0.000 0.508 299 V N 0.994 120.959 119.914 0.085 0.000 2.427 299 V HA 0.392 4.512 4.120 0.000 0.000 0.268 299 V C 1.035 177.171 176.094 0.070 0.000 1.046 299 V CA -0.535 61.784 62.300 0.031 0.000 0.970 299 V CB 1.483 33.326 31.823 0.033 0.000 1.001 299 V HN 0.287 nan 8.190 nan 0.000 0.476 300 V N 5.748 125.682 119.914 0.033 0.000 2.498 300 V HA 0.243 4.363 4.120 0.000 0.000 0.279 300 V C 0.528 176.773 176.094 0.252 0.000 1.048 300 V CA -0.289 62.135 62.300 0.207 0.000 0.967 300 V CB 0.635 32.599 31.823 0.234 0.000 0.988 300 V HN 1.070 nan 8.190 nan 0.000 0.473 301 Q N 2.032 122.039 119.800 0.345 0.000 2.470 301 Q HA -0.268 4.072 4.340 0.000 0.000 0.294 301 Q C 1.297 177.404 176.000 0.179 0.000 1.356 301 Q CA 0.617 56.597 55.803 0.295 0.000 0.805 301 Q CB -1.447 27.449 28.738 0.263 0.000 1.157 301 Q HN 1.051 nan 8.270 nan 0.000 0.431 302 A N -0.162 122.765 122.820 0.179 0.000 1.969 302 A HA 0.051 4.371 4.320 0.000 0.000 0.218 302 A C 1.071 178.721 177.584 0.111 0.000 1.169 302 A CA 1.623 53.718 52.037 0.096 0.000 0.635 302 A CB 0.214 19.241 19.000 0.045 0.000 0.810 302 A HN 0.784 nan 8.150 nan 0.000 0.445 303 S N -4.640 111.110 115.700 0.083 0.000 2.651 303 S HA 0.535 5.005 4.470 0.000 0.000 0.279 303 S C 0.539 174.933 174.600 -0.344 0.000 1.148 303 S CA 0.264 58.461 58.200 -0.005 0.000 0.837 303 S CB 0.924 64.175 63.200 0.085 0.000 1.138 303 S HN 1.917 nan 8.310 nan 0.000 0.478 304 G N -0.313 108.237 108.800 -0.415 0.000 2.341 304 G HA2 -0.231 3.729 3.960 0.000 0.000 0.292 304 G HA3 -0.231 3.729 3.960 0.000 0.000 0.292 304 G C 0.586 175.150 174.900 -0.560 0.000 1.021 304 G CA 0.470 45.230 45.100 -0.567 0.000 0.905 304 G HN 1.105 nan 8.290 nan 0.000 0.508 305 C N -2.197 116.912 119.300 -0.318 0.000 2.794 305 C HA 0.668 5.129 4.460 0.000 0.000 0.443 305 C C 0.439 175.504 174.990 0.124 0.000 1.484 305 C CA 0.270 59.262 59.018 -0.044 0.000 2.501 305 C CB -0.114 27.621 27.740 -0.008 0.000 2.715 305 C HN 0.434 nan 8.230 nan 0.000 0.570 306 L N -0.731 120.500 121.223 0.013 0.000 2.434 306 L HA 0.479 4.819 4.340 0.000 0.000 0.260 306 L C -1.516 175.277 176.870 -0.129 0.000 0.983 306 L CA -0.041 54.828 54.840 0.048 0.000 0.820 306 L CB 0.924 43.082 42.059 0.165 0.000 1.361 306 L HN 0.371 nan 8.230 nan 0.000 0.410 307 W N 1.127 122.312 121.300 -0.192 0.000 2.210 307 W HA 0.388 5.048 4.660 0.000 0.000 0.330 307 W C 0.792 177.015 176.519 -0.493 0.000 1.334 307 W CA 0.256 57.344 57.345 -0.428 0.000 1.227 307 W CB 0.723 29.738 29.460 -0.742 0.000 1.178 307 W HN 0.299 nan 8.180 nan 0.000 0.560 308 T N 3.674 118.097 114.554 -0.217 0.000 2.799 308 T HA 0.269 4.619 4.350 0.000 0.000 0.286 308 T C -0.515 173.986 174.700 -0.332 0.000 0.973 308 T CA -0.631 61.336 62.100 -0.222 0.000 1.035 308 T CB 0.288 69.164 68.868 0.015 0.000 0.932 308 T HN 0.322 nan 8.240 nan 0.000 0.469 309 W N 3.247 124.341 121.300 -0.344 0.000 2.257 309 W HA 0.421 5.081 4.660 0.000 0.000 0.337 309 W C 1.262 177.669 176.519 -0.186 0.000 1.321 309 W CA -0.438 56.721 57.345 -0.310 0.000 1.267 309 W CB 0.411 29.735 29.460 -0.227 0.000 1.187 309 W HN 0.902 nan 8.180 nan 0.000 0.565 310 G N 1.434 110.257 108.800 0.037 0.000 2.537 310 G HA2 0.126 4.086 3.960 0.000 0.000 0.297 310 G HA3 0.126 4.086 3.960 0.000 0.000 0.297 310 G C -0.546 174.469 174.900 0.193 0.000 1.310 310 G CA -0.708 44.458 45.100 0.109 0.000 1.027 310 G HN 0.497 nan 8.290 nan 0.000 0.505 311 N N -0.943 117.861 118.700 0.173 0.000 2.553 311 N HA 0.254 4.994 4.740 0.000 0.000 0.298 311 N C -0.883 174.667 175.510 0.067 0.000 1.596 311 N CA -0.253 52.900 53.050 0.172 0.000 0.910 311 N CB 0.618 39.206 38.487 0.168 0.000 1.336 311 N HN 0.366 nan 8.380 nan 0.000 0.497 312 E N -0.268 119.856 120.200 -0.127 0.000 2.331 312 E HA 0.428 4.778 4.350 0.000 0.000 0.275 312 E C -1.808 174.603 176.600 -0.315 0.000 0.895 312 E CA -0.503 55.873 56.400 -0.040 0.000 0.753 312 E CB 0.754 30.573 29.700 0.198 0.000 1.216 312 E HN 0.007 nan 8.360 nan 0.000 0.434 313 F N 2.000 121.976 119.950 0.043 0.000 2.520 313 F HA 0.892 5.419 4.527 0.000 0.000 0.322 313 F C 0.760 176.573 175.800 0.022 0.000 1.103 313 F CA 0.252 58.233 58.000 -0.032 0.000 0.926 313 F CB 2.558 41.465 39.000 -0.155 0.000 1.154 313 F HN 0.577 nan 8.300 nan 0.000 0.453 314 G N 0.390 109.326 108.800 0.227 0.000 2.320 314 G HA2 0.539 4.499 3.960 0.000 0.000 0.296 314 G HA3 0.539 4.499 3.960 0.000 0.000 0.296 314 G C -0.407 174.496 174.900 0.004 0.000 1.306 314 G CA 0.303 45.413 45.100 0.018 0.000 0.836 314 G HN 1.387 nan 8.290 nan 0.000 0.517 315 G N -1.826 106.877 108.800 -0.161 0.000 2.496 315 G HA2 0.106 4.066 3.960 0.000 0.000 0.243 315 G HA3 0.106 4.066 3.960 0.000 0.000 0.243 315 G C 0.131 174.997 174.900 -0.055 0.000 1.176 315 G CA 0.415 45.454 45.100 -0.101 0.000 0.940 315 G HN 1.835 nan 8.290 nan 0.000 0.573 316 V N 3.056 122.951 119.914 -0.032 0.000 2.421 316 V HA 0.236 4.356 4.120 0.000 0.000 0.271 316 V C 0.739 176.754 176.094 -0.133 0.000 1.031 316 V CA -0.264 61.988 62.300 -0.079 0.000 1.032 316 V CB 0.424 32.188 31.823 -0.099 0.000 1.009 316 V HN 0.576 nan 8.190 nan 0.000 0.477 317 N N 3.508 122.139 118.700 -0.115 0.000 2.453 317 N HA 0.267 5.007 4.740 0.000 0.000 0.253 317 N C 0.527 175.947 175.510 -0.151 0.000 1.252 317 N CA 0.504 53.474 53.050 -0.134 0.000 0.917 317 N CB 1.044 39.455 38.487 -0.126 0.000 1.117 317 N HN 0.758 nan 8.380 nan 0.000 0.442 318 G N -0.802 107.904 108.800 -0.155 0.000 2.543 318 G HA2 0.517 4.477 3.960 0.000 0.000 0.290 318 G HA3 0.517 4.477 3.960 0.000 0.000 0.290 318 G C -0.470 174.332 174.900 -0.164 0.000 1.310 318 G CA -0.364 44.658 45.100 -0.129 0.000 1.025 318 G HN 0.688 nan 8.290 nan 0.000 0.502 319 A N -0.512 122.222 122.820 -0.143 0.000 2.609 319 A HA 0.297 4.617 4.320 0.000 0.000 0.232 319 A C 1.279 178.650 177.584 -0.355 0.000 1.041 319 A CA 0.722 52.650 52.037 -0.183 0.000 0.753 319 A CB 0.081 19.006 19.000 -0.126 0.000 0.966 319 A HN 0.786 nan 8.150 nan 0.000 0.510 320 S N 1.292 116.763 115.700 -0.381 0.000 2.930 320 S HA 0.250 4.720 4.470 0.000 0.000 0.257 320 S C -0.025 174.095 174.600 -0.800 0.000 1.208 320 S CA 0.342 58.142 58.200 -0.667 0.000 1.233 320 S CB -1.064 61.933 63.200 -0.338 0.000 0.900 320 S HN 0.782 nan 8.310 nan 0.000 0.472 321 E N -0.493 119.301 120.200 -0.677 0.000 2.381 321 E HA 0.197 4.547 4.350 0.000 0.000 0.286 321 E C -1.469 175.099 176.600 -0.053 0.000 0.960 321 E CA -1.007 55.293 56.400 -0.167 0.000 0.793 321 E CB 0.162 29.856 29.700 -0.011 0.000 1.225 321 E HN 0.070 nan 8.360 nan 0.000 0.420 322 Y N 1.608 122.049 120.300 0.234 0.000 2.865 322 Y HA 0.081 4.631 4.550 0.000 0.000 0.338 322 Y C 0.207 176.141 175.900 0.057 0.000 1.269 322 Y CA 1.000 59.191 58.100 0.151 0.000 1.585 322 Y CB 0.589 39.124 38.460 0.126 0.000 1.224 322 Y HN 0.421 nan 8.280 nan 0.000 0.554 323 T N 3.020 117.681 114.554 0.178 0.000 2.847 323 T HA 0.567 4.917 4.350 0.000 0.000 0.291 323 T C -0.272 174.480 174.700 0.086 0.000 0.998 323 T CA -0.827 61.331 62.100 0.097 0.000 0.967 323 T CB 1.132 70.024 68.868 0.041 0.000 0.954 323 T HN 0.691 nan 8.240 nan 0.000 0.441 324 A N 4.028 126.885 122.820 0.061 0.000 2.671 324 A HA 0.439 4.759 4.320 0.000 0.000 0.306 324 A C 0.728 178.319 177.584 0.012 0.000 1.473 324 A CA -0.609 51.445 52.037 0.028 0.000 1.155 324 A CB -0.657 18.351 19.000 0.014 0.000 1.123 324 A HN 0.790 nan 8.150 nan 0.000 0.545 325 N N 0.481 119.186 118.700 0.008 0.000 2.547 325 N HA 0.005 4.745 4.740 0.000 0.000 0.285 325 N C 0.034 175.528 175.510 -0.026 0.000 1.600 325 N CA 0.259 53.316 53.050 0.011 0.000 0.872 325 N CB -0.385 38.134 38.487 0.053 0.000 1.412 325 N HN 0.269 nan 8.380 nan 0.000 0.489 326 T N -3.935 110.543 114.554 -0.126 0.000 3.214 326 T HA 0.428 4.778 4.350 0.000 0.000 0.264 326 T C 1.166 175.683 174.700 -0.306 0.000 1.012 326 T CA 0.013 61.890 62.100 -0.372 0.000 0.901 326 T CB -0.448 68.172 68.868 -0.414 0.000 1.070 326 T HN 0.470 nan 8.240 nan 0.000 0.561 327 G N 0.959 109.673 108.800 -0.143 0.000 2.198 327 G HA2 0.126 4.086 3.960 0.000 0.000 0.260 327 G HA3 0.126 4.086 3.960 0.000 0.000 0.260 327 G C 0.892 175.748 174.900 -0.074 0.000 1.025 327 G CA 0.024 45.074 45.100 -0.084 0.000 0.769 327 G HN 1.892 nan 8.290 nan 0.000 0.507 328 G N -1.115 107.640 108.800 -0.076 0.000 2.326 328 G HA2 -0.149 3.811 3.960 0.000 0.000 0.286 328 G HA3 -0.149 3.811 3.960 0.000 0.000 0.286 328 G C 0.506 175.370 174.900 -0.061 0.000 1.096 328 G CA 0.645 45.713 45.100 -0.054 0.000 1.003 328 G HN 1.118 nan 8.290 nan 0.000 0.503 329 R N -0.347 120.099 120.500 -0.090 0.000 2.616 329 R HA 0.485 4.825 4.340 0.000 0.000 0.427 329 R C 0.919 177.180 176.300 -0.066 0.000 1.030 329 R CA 0.385 56.438 56.100 -0.079 0.000 1.133 329 R CB 0.916 31.149 30.300 -0.110 0.000 1.444 329 R HN 1.707 nan 8.270 nan 0.000 0.578 330 G N 0.255 109.023 108.800 -0.053 0.000 2.354 330 G HA2 -0.123 3.837 3.960 0.000 0.000 0.582 330 G HA3 -0.123 3.837 3.960 0.000 0.000 0.582 330 G C -1.065 173.836 174.900 0.001 0.000 1.316 330 G CA -0.863 44.222 45.100 -0.025 0.000 0.995 330 G HN 0.017 nan 8.290 nan 0.000 0.573 331 S N -1.447 114.288 115.700 0.058 0.000 2.664 331 S HA 0.860 5.330 4.470 0.000 0.000 0.304 331 S C 0.141 174.884 174.600 0.237 0.000 1.099 331 S CA -0.035 58.257 58.200 0.152 0.000 1.003 331 S CB 1.709 65.036 63.200 0.212 0.000 1.092 331 S HN 1.891 nan 8.310 nan 0.000 0.525 332 V N 0.582 120.616 119.914 0.201 0.000 2.735 332 V HA 0.709 4.829 4.120 0.000 0.000 0.310 332 V C -1.589 174.488 176.094 -0.029 0.000 1.061 332 V CA -0.804 61.556 62.300 0.099 0.000 0.913 332 V CB 1.354 33.201 31.823 0.039 0.000 1.005 332 V HN 0.875 nan 8.190 nan 0.000 0.428 333 Y N 3.876 123.985 120.300 -0.317 0.000 2.350 333 Y HA 0.648 5.198 4.550 0.000 0.000 0.338 333 Y C 0.636 176.365 175.900 -0.286 0.000 0.961 333 Y CA 0.054 57.862 58.100 -0.488 0.000 1.100 333 Y CB 1.660 39.538 38.460 -0.971 0.000 1.179 333 Y HN 1.709 nan 8.280 nan 0.000 0.454 334 A N 4.236 126.690 122.820 -0.611 0.000 2.745 334 A HA -0.305 4.015 4.320 0.000 0.000 0.296 334 A C 0.086 177.544 177.584 -0.210 0.000 1.500 334 A CA 1.096 52.899 52.037 -0.389 0.000 0.766 334 A CB -2.138 16.697 19.000 -0.275 0.000 1.030 334 A HN 0.781 nan 8.150 nan 0.000 0.489 335 Q N 0.665 120.346 119.800 -0.198 0.000 2.276 335 Q HA 0.416 4.756 4.340 0.000 0.000 0.267 335 Q C -1.789 174.114 176.000 -0.162 0.000 1.135 335 Q CA -1.240 54.459 55.803 -0.172 0.000 0.910 335 Q CB 0.494 29.152 28.738 -0.134 0.000 1.271 335 Q HN 0.591 nan 8.270 nan 0.000 0.417 336 P HA 0.118 nan 4.420 nan 0.000 0.274 336 P C -0.957 176.328 177.300 -0.024 0.000 1.237 336 P CA -0.290 62.763 63.100 -0.079 0.000 0.793 336 P CB 0.754 32.434 31.700 -0.032 0.000 0.977 337 A N 1.761 124.557 122.820 -0.041 0.000 2.425 337 A HA 0.454 4.774 4.320 0.000 0.000 0.242 337 A C 0.481 178.001 177.584 -0.107 0.000 1.077 337 A CA -0.075 51.889 52.037 -0.120 0.000 0.781 337 A CB -0.478 18.424 19.000 -0.163 0.000 1.020 337 A HN 0.612 nan 8.150 nan 0.000 0.494 338 A N 1.576 124.187 122.820 -0.348 0.000 2.276 338 A HA 0.611 4.931 4.320 0.000 0.000 0.300 338 A C 0.735 177.980 177.584 -0.565 0.000 1.235 338 A CA 0.117 51.690 52.037 -0.773 0.000 0.867 338 A CB -0.234 18.129 19.000 -1.061 0.000 1.137 338 A HN 2.136 nan 8.150 nan 0.000 0.527 339 A N 2.502 124.841 122.820 -0.801 0.000 2.531 339 A HA 0.486 4.806 4.320 0.000 0.000 0.236 339 A C -0.179 176.664 177.584 -1.235 0.000 1.062 339 A CA 0.386 51.624 52.037 -1.330 0.000 0.760 339 A CB -0.195 17.840 19.000 -1.609 0.000 0.995 339 A HN 0.863 nan 8.150 nan 0.000 0.501 340 L N 1.721 122.050 121.223 -1.490 0.000 2.362 340 L HA 0.656 4.996 4.340 0.000 0.000 0.275 340 L C -1.041 175.232 176.870 -0.995 0.000 0.998 340 L CA -0.115 53.992 54.840 -1.223 0.000 0.820 340 L CB 1.754 42.966 42.059 -1.412 0.000 1.270 340 L HN 0.650 nan 8.230 nan 0.000 0.415 341 F N 0.614 120.308 119.950 -0.426 0.000 2.561 341 F HA 0.771 5.298 4.527 0.000 0.000 0.321 341 F C 1.025 176.335 175.800 -0.817 0.000 1.065 341 F CA -0.103 57.454 58.000 -0.739 0.000 0.934 341 F CB 2.032 40.128 39.000 -1.507 0.000 1.215 341 F HN 0.580 nan 8.300 nan 0.000 0.471 342 G N 0.530 108.973 108.800 -0.595 0.000 2.475 342 G HA2 0.287 4.247 3.960 0.000 0.000 0.209 342 G HA3 0.287 4.247 3.960 0.000 0.000 0.209 342 G C 0.479 174.929 174.900 -0.750 0.000 1.127 342 G CA 0.007 44.890 45.100 -0.363 0.000 0.681 342 G HN 2.022 nan 8.290 nan 0.000 0.517 343 G N -0.483 107.227 108.800 -1.816 0.000 2.661 343 G HA2 0.505 4.465 3.960 0.000 0.000 0.685 343 G HA3 0.505 4.465 3.960 0.000 0.000 0.685 343 G C -0.022 174.135 174.900 -1.239 0.000 1.298 343 G CA 0.872 44.832 45.100 -1.900 0.000 0.855 343 G HN 2.379 nan 8.290 nan 0.000 0.560 344 A N -1.096 121.268 122.820 -0.759 0.000 2.486 344 A HA 0.831 5.151 4.320 0.000 0.000 0.277 344 A C 0.687 178.119 177.584 -0.253 0.000 1.282 344 A CA 0.429 52.232 52.037 -0.390 0.000 0.784 344 A CB 0.067 18.914 19.000 -0.255 0.000 1.350 344 A HN 2.236 nan 8.150 nan 0.000 0.454 345 W N 0.922 122.167 121.300 -0.091 0.000 2.402 345 W HA -0.119 4.541 4.660 0.000 0.000 0.286 345 W C 1.299 177.775 176.519 -0.071 0.000 1.221 345 W CA 1.657 58.949 57.345 -0.088 0.000 1.257 345 W CB -0.493 28.940 29.460 -0.044 0.000 1.120 345 W HN 0.683 nan 8.180 nan 0.000 0.551 346 N N 0.804 119.207 118.700 -0.495 0.000 2.416 346 N HA -0.000 4.740 4.740 0.000 0.000 0.177 346 N C 1.787 177.196 175.510 -0.168 0.000 1.036 346 N CA 1.183 54.050 53.050 -0.304 0.000 0.901 346 N CB -1.261 36.897 38.487 -0.549 0.000 0.976 346 N HN 0.371 nan 8.380 nan 0.000 0.444 347 G N 0.804 109.511 108.800 -0.156 0.000 2.601 347 G HA2 -0.254 3.706 3.960 0.000 0.000 0.214 347 G HA3 -0.254 3.706 3.960 0.000 0.000 0.214 347 G C 0.830 175.710 174.900 -0.032 0.000 1.132 347 G CA 1.364 46.429 45.100 -0.057 0.000 0.761 347 G HN 0.602 nan 8.290 nan 0.000 0.550 348 T N -0.149 114.390 114.554 -0.026 0.000 13.920 348 T HA -0.407 3.943 4.350 0.000 0.000 0.417 348 T C 1.781 176.491 174.700 0.017 0.000 1.442 348 T CA 3.621 65.725 62.100 0.007 0.000 2.330 348 T CB -1.504 67.368 68.868 0.007 0.000 2.759 348 T HN 1.152 nan 8.240 nan 0.000 0.364 349 S N 1.149 116.862 115.700 0.022 0.000 2.618 349 S HA 0.513 4.983 4.470 0.000 0.000 0.242 349 S C 1.494 176.111 174.600 0.028 0.000 0.972 349 S CA 0.282 58.499 58.200 0.029 0.000 1.004 349 S CB -0.066 63.150 63.200 0.028 0.000 0.778 349 S HN 0.593 nan 8.310 nan 0.000 0.459 350 L N 0.049 121.284 121.223 0.020 0.000 2.575 350 L HA 0.275 4.615 4.340 0.000 0.000 0.228 350 L C 1.052 177.923 176.870 0.002 0.000 1.075 350 L CA -0.133 54.728 54.840 0.035 0.000 0.867 350 L CB -0.386 41.714 42.059 0.068 0.000 1.097 350 L HN 0.152 nan 8.230 nan 0.000 0.485 351 S N 0.003 115.666 115.700 -0.062 0.000 2.580 351 S HA 0.500 4.970 4.470 0.000 0.000 0.261 351 S C 0.516 175.101 174.600 -0.026 0.000 1.366 351 S CA 0.457 58.575 58.200 -0.138 0.000 0.996 351 S CB 0.737 63.823 63.200 -0.191 0.000 0.902 351 S HN 0.481 nan 8.310 nan 0.000 0.566 352 G N 0.238 109.035 108.800 -0.004 0.000 2.347 352 G HA2 0.060 4.020 3.960 0.000 0.000 0.341 352 G HA3 0.060 4.020 3.960 0.000 0.000 0.341 352 G C 0.448 175.455 174.900 0.178 0.000 1.287 352 G CA -0.026 45.122 45.100 0.081 0.000 0.984 352 G HN 1.015 nan 8.290 nan 0.000 0.526 353 S N -1.135 114.661 115.700 0.160 0.000 2.507 353 S HA 0.034 4.504 4.470 0.000 0.000 0.235 353 S C 1.555 176.379 174.600 0.373 0.000 0.988 353 S CA 1.526 59.857 58.200 0.219 0.000 0.944 353 S CB -0.007 63.234 63.200 0.068 0.000 0.762 353 S HN 0.643 nan 8.310 nan 0.000 0.526 354 R N 0.612 121.296 120.500 0.308 0.000 2.596 354 R HA 0.451 4.792 4.340 0.000 0.000 0.369 354 R C -0.001 176.539 176.300 0.400 0.000 1.042 354 R CA 0.215 56.542 56.100 0.378 0.000 1.120 354 R CB 0.760 31.207 30.300 0.245 0.000 1.353 354 R HN 0.372 nan 8.270 nan 0.000 0.564 355 A N 1.588 124.568 122.820 0.267 0.000 2.515 355 A HA 0.486 4.806 4.320 0.000 0.000 0.263 355 A C 0.067 177.787 177.584 0.226 0.000 1.096 355 A CA 0.291 52.426 52.037 0.163 0.000 0.769 355 A CB 0.006 18.952 19.000 -0.089 0.000 1.040 355 A HN 0.308 nan 8.150 nan 0.000 0.505 356 A N 3.145 126.111 122.820 0.244 0.000 2.446 356 A HA 0.564 4.884 4.320 0.000 0.000 0.282 356 A C -0.930 176.549 177.584 -0.175 0.000 1.102 356 A CA -0.399 51.591 52.037 -0.077 0.000 0.737 356 A CB 0.810 19.694 19.000 -0.194 0.000 1.212 356 A HN 1.585 nan 8.150 nan 0.000 0.434 357 L N 3.166 124.061 121.223 -0.546 0.000 2.301 357 L HA 0.531 4.871 4.340 0.000 0.000 0.278 357 L C -0.804 175.678 176.870 -0.646 0.000 1.022 357 L CA -0.195 54.294 54.840 -0.584 0.000 0.854 357 L CB 0.171 41.590 42.059 -1.067 0.000 1.226 357 L HN 0.742 nan 8.230 nan 0.000 0.429 358 W N 5.325 126.433 121.300 -0.320 0.000 1.809 358 W HA 0.074 4.734 4.660 0.000 0.000 0.399 358 W C -0.149 176.254 176.519 -0.193 0.000 0.636 358 W CA -0.226 56.945 57.345 -0.290 0.000 2.178 358 W CB 0.354 29.678 29.460 -0.227 0.000 1.632 358 W HN 0.765 nan 8.180 nan 0.000 0.470 359 Y N 0.752 120.911 120.300 -0.234 0.000 2.583 359 Y HA 0.132 4.682 4.550 0.000 0.000 0.270 359 Y C 1.275 176.972 175.900 -0.339 0.000 1.113 359 Y CA 0.593 58.566 58.100 -0.211 0.000 1.307 359 Y CB -0.231 38.112 38.460 -0.196 0.000 1.369 359 Y HN -0.354 nan 8.280 nan 0.000 0.506 360 S N 1.813 117.266 115.700 -0.412 0.000 2.549 360 S HA 0.374 4.844 4.470 0.000 0.000 0.286 360 S C 0.364 174.442 174.600 -0.870 0.000 1.314 360 S CA -0.094 57.570 58.200 -0.893 0.000 1.062 360 S CB 0.603 63.673 63.200 -0.217 0.000 0.865 360 S HN 0.591 nan 8.310 nan 0.000 0.498 361 G N 1.936 109.884 108.800 -1.421 0.000 2.562 361 G HA2 0.399 4.359 3.960 0.000 0.000 0.275 361 G HA3 0.399 4.359 3.960 0.000 0.000 0.275 361 G C -2.095 172.669 174.900 -0.226 0.000 1.196 361 G CA -1.606 43.162 45.100 -0.553 0.000 0.908 361 G HN 0.441 nan 8.290 nan 0.000 0.524 362 P HA -0.011 nan 4.420 nan 0.000 0.230 362 P C 1.601 178.866 177.300 -0.059 0.000 1.158 362 P CA 1.127 63.967 63.100 -0.434 0.000 0.769 362 P CB 0.329 31.531 31.700 -0.831 0.000 0.807 363 S N -2.558 113.307 115.700 0.276 0.000 2.503 363 S HA 0.097 4.567 4.470 0.000 0.000 0.217 363 S C 0.648 175.502 174.600 0.423 0.000 0.999 363 S CA -0.196 58.235 58.200 0.385 0.000 0.914 363 S CB -0.818 62.580 63.200 0.330 0.000 0.782 363 S HN -0.120 nan 8.310 nan 0.000 0.520 364 F N 3.025 123.103 119.950 0.215 0.000 2.535 364 F HA 0.532 5.059 4.527 0.000 0.000 0.332 364 F C 1.048 177.013 175.800 0.275 0.000 1.208 364 F CA -0.717 57.423 58.000 0.235 0.000 1.330 364 F CB 0.232 39.508 39.000 0.460 0.000 1.167 364 F HN 0.130 nan 8.300 nan 0.000 0.597 365 S N 1.134 116.849 115.700 0.024 0.000 2.563 365 S HA 0.704 5.174 4.470 0.000 0.000 0.279 365 S C -1.537 172.664 174.600 -0.665 0.000 1.155 365 S CA -0.484 57.701 58.200 -0.025 0.000 0.928 365 S CB 0.122 63.325 63.200 0.005 0.000 1.107 365 S HN 0.353 nan 8.310 nan 0.000 0.462 366 F N 1.402 121.284 119.950 -0.112 0.000 2.686 366 F HA 0.663 5.190 4.527 0.000 0.000 0.311 366 F C 0.982 176.787 175.800 0.007 0.000 1.128 366 F CA -0.472 57.371 58.000 -0.262 0.000 0.946 366 F CB 1.331 39.713 39.000 -1.031 0.000 1.336 366 F HN 0.640 nan 8.300 nan 0.000 0.457 367 A N 0.602 123.688 122.820 0.443 0.000 2.168 367 A HA -0.005 4.315 4.320 0.000 0.000 0.215 367 A C 0.948 178.922 177.584 0.650 0.000 1.152 367 A CA 1.109 53.452 52.037 0.510 0.000 0.716 367 A CB -1.079 18.232 19.000 0.518 0.000 0.794 367 A HN 0.641 nan 8.150 nan 0.000 0.465 368 F N -3.982 116.068 119.950 0.166 0.000 2.772 368 F HA 0.656 5.183 4.527 0.000 0.000 0.302 368 F C -0.637 175.404 175.800 0.402 0.000 1.136 368 F CA -1.249 56.771 58.000 0.034 0.000 1.322 368 F CB 0.313 38.960 39.000 -0.588 0.000 0.967 368 F HN -0.074 nan 8.300 nan 0.000 0.513 369 F N 1.889 121.782 119.950 -0.096 0.000 2.477 369 F HA 0.818 5.345 4.527 0.000 0.000 0.335 369 F C 0.415 176.116 175.800 -0.166 0.000 1.130 369 F CA -1.911 55.922 58.000 -0.279 0.000 0.948 369 F CB 1.448 40.238 39.000 -0.350 0.000 1.154 369 F HN 0.185 nan 8.300 nan 0.000 0.439 370 G N 0.876 109.535 108.800 -0.235 0.000 2.947 370 G HA2 0.827 4.787 3.960 0.000 0.000 0.293 370 G HA3 0.827 4.787 3.960 0.000 0.000 0.293 370 G C -1.999 172.486 174.900 -0.693 0.000 1.243 370 G CA -0.523 44.307 45.100 -0.450 0.000 0.802 370 G HN 0.795 nan 8.290 nan 0.000 0.560 371 A N -0.595 121.938 122.820 -0.479 0.000 2.549 371 A HA 0.854 5.174 4.320 0.000 0.000 0.297 371 A C -0.792 176.786 177.584 -0.010 0.000 1.061 371 A CA -0.561 51.324 52.037 -0.253 0.000 0.690 371 A CB 1.956 20.792 19.000 -0.273 0.000 1.287 371 A HN 0.750 nan 8.150 nan 0.000 0.402 372 R N 1.155 121.689 120.500 0.056 0.000 2.599 372 R HA 0.586 4.926 4.340 0.000 0.000 0.295 372 R C 0.122 176.487 176.300 0.109 0.000 0.963 372 R CA -0.200 55.966 56.100 0.110 0.000 0.883 372 R CB 1.813 32.207 30.300 0.156 0.000 1.171 372 R HN 1.041 nan 8.270 nan 0.000 0.450 373 G N 2.178 111.039 108.800 0.101 0.000 2.420 373 G HA2 0.456 4.416 3.960 0.000 0.000 0.284 373 G HA3 0.456 4.416 3.960 0.000 0.000 0.284 373 G C -0.497 174.471 174.900 0.113 0.000 1.177 373 G CA -0.359 44.796 45.100 0.093 0.000 0.841 373 G HN 0.506 nan 8.290 nan 0.000 0.527 374 V N -1.268 118.711 119.914 0.107 0.000 3.102 374 V HA 0.887 5.007 4.120 0.000 0.000 0.312 374 V C 0.074 176.241 176.094 0.122 0.000 1.135 374 V CA -0.698 61.688 62.300 0.143 0.000 1.022 374 V CB 1.099 32.979 31.823 0.094 0.000 1.056 374 V HN 1.609 nan 8.190 nan 0.000 0.436 375 C N -0.309 119.102 119.300 0.184 0.000 3.320 375 C HA 0.669 5.129 4.460 0.000 0.000 0.335 375 C C -0.648 174.477 174.990 0.224 0.000 1.430 375 C CA -0.531 58.574 59.018 0.145 0.000 1.271 375 C CB 0.921 28.716 27.740 0.092 0.000 1.609 375 C HN 0.966 nan 8.230 nan 0.000 0.457 376 D N 0.662 121.160 120.400 0.164 0.000 2.378 376 D HA 0.203 4.843 4.640 0.000 0.000 0.238 376 D C -0.139 176.368 176.300 0.345 0.000 1.180 376 D CA 0.617 54.737 54.000 0.201 0.000 0.895 376 D CB 0.203 41.065 40.800 0.104 0.000 1.192 376 D HN 0.747 nan 8.370 nan 0.000 0.438 377 H N 1.349 120.564 119.070 0.241 0.000 2.552 377 H HA 0.339 4.895 4.556 0.000 0.000 0.311 377 H C -0.971 174.421 175.328 0.105 0.000 1.071 377 H CA -0.974 55.252 56.048 0.297 0.000 1.307 377 H CB 0.810 30.632 29.762 0.099 0.000 1.416 377 H HN 0.102 nan 8.280 nan 0.000 0.464 378 L N 6.801 127.945 121.223 -0.132 0.000 2.289 378 L HA 0.407 4.747 4.340 0.000 0.000 0.285 378 L C -0.970 175.689 176.870 -0.352 0.000 1.049 378 L CA -0.303 54.409 54.840 -0.213 0.000 0.804 378 L CB 0.877 42.886 42.059 -0.083 0.000 1.195 378 L HN 0.612 nan 8.230 nan 0.000 0.428 379 I N 5.880 126.305 120.570 -0.240 0.000 2.499 379 I HA 0.434 4.604 4.170 0.000 0.000 0.288 379 I C -0.824 175.300 176.117 0.011 0.000 1.048 379 I CA -0.357 60.884 61.300 -0.098 0.000 1.062 379 I CB 1.758 39.695 38.000 -0.106 0.000 1.238 379 I HN 0.514 nan 8.210 nan 0.000 0.426 380 L N 0.000 121.274 121.223 0.086 0.000 2.949 380 L HA 0.000 4.340 4.340 0.000 0.000 0.249 380 L CA 0.000 54.889 54.840 0.081 0.000 0.813 380 L CB 0.000 42.107 42.059 0.080 0.000 0.961 380 L HN 0.000 nan 8.230 nan 0.000 0.502