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 3mue_1_A DATA FIRST_RESID 0 DATA SEQUENCE AMLIIETLPL LRQHIRRLRQ EGKRVALVPT MGNLHDGHMK LVDEAKARAD DATA SEQUENCE VVIVSIFVNP MQFDRPDDLV RYPRTLQEDC EKLNKRKVDY VFAPAVEEIY DATA SEQUENCE PHGLEGQTYV DVPGLSTMLE GASRPGHFRG VSTIVSKLFN LIQPDIACFG DATA SEQUENCE EKDFQQLALI RKMVADMSYD IEIVGVPIIR AKDGLALSSR NAYLTAEQRK DATA SEQUENCE IAPGLYNVMN SIAEKLIAGN RELQEIIAIA EQELNEKGFR ADDIQIRDAD DATA SEQUENCE TLLELTETSK RAVILAAAWL GQARLIDNQS VTLAQ 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.512 177.584 -0.120 0.000 1.274 0 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 0 A CB 0.000 18.966 19.000 -0.056 0.000 0.831 1 M N 2.683 122.214 119.600 -0.117 0.000 2.240 1 M HA 0.113 4.575 4.480 -0.031 0.000 0.346 1 M C -0.811 175.382 176.300 -0.178 0.000 1.236 1 M CA 0.898 56.105 55.300 -0.155 0.000 0.986 1 M CB 0.132 32.676 32.600 -0.094 0.000 1.786 1 M HN 0.682 nan 8.290 nan 0.000 0.457 2 L N 6.753 127.807 121.223 -0.281 0.000 2.296 2 L HA 0.496 4.817 4.340 -0.031 0.000 0.286 2 L C -0.849 175.954 176.870 -0.112 0.000 1.023 2 L CA -0.643 54.056 54.840 -0.235 0.000 0.812 2 L CB 1.350 43.158 42.059 -0.419 0.000 1.223 2 L HN 0.690 nan 8.230 nan 0.000 0.421 3 I N 5.710 126.252 120.570 -0.046 0.000 2.328 3 I HA 0.366 4.518 4.170 -0.031 0.000 0.287 3 I C -0.292 175.850 176.117 0.040 0.000 1.012 3 I CA -0.503 60.802 61.300 0.008 0.000 1.195 3 I CB 1.413 39.413 38.000 0.000 0.000 1.350 3 I HN 0.340 nan 8.210 nan 0.000 0.464 4 I N 5.873 126.504 120.570 0.102 0.000 2.530 4 I HA 0.252 4.404 4.170 -0.031 0.000 0.297 4 I C 0.775 177.019 176.117 0.212 0.000 1.011 4 I CA -0.288 61.101 61.300 0.149 0.000 1.107 4 I CB 1.989 40.092 38.000 0.171 0.000 1.285 4 I HN 0.733 nan 8.210 nan 0.000 0.436 5 E N 2.272 122.564 120.200 0.153 0.000 2.601 5 E HA 0.090 4.422 4.350 -0.031 0.000 0.219 5 E C -0.015 176.662 176.600 0.127 0.000 0.964 5 E CA -0.197 56.246 56.400 0.072 0.000 1.050 5 E CB 0.770 30.468 29.700 -0.003 0.000 1.068 5 E HN 0.667 nan 8.360 nan 0.000 0.496 6 T N -2.134 112.541 114.554 0.202 0.000 2.907 6 T HA 0.411 4.743 4.350 -0.031 0.000 0.292 6 T C 0.945 175.740 174.700 0.159 0.000 1.043 6 T CA -0.836 61.356 62.100 0.154 0.000 1.003 6 T CB 1.658 70.570 68.868 0.072 0.000 1.084 6 T HN 0.044 nan 8.240 nan 0.000 0.483 7 L N 1.237 122.519 121.223 0.098 0.000 2.046 7 L HA 0.077 4.398 4.340 -0.031 0.000 0.208 7 L C -0.647 176.206 176.870 -0.029 0.000 1.077 7 L CA 1.132 55.976 54.840 0.007 0.000 0.747 7 L CB -1.528 40.532 42.059 0.001 0.000 0.896 7 L HN 0.520 nan 8.230 nan 0.000 0.432 8 P HA -0.168 nan 4.420 nan 0.000 0.216 8 P C 1.781 179.086 177.300 0.009 0.000 1.153 8 P CA 0.942 64.040 63.100 -0.003 0.000 0.848 8 P CB 0.066 31.770 31.700 0.008 0.000 0.787 9 L N -0.558 120.689 121.223 0.041 0.000 1.989 9 L HA -0.151 4.170 4.340 -0.031 0.000 0.211 9 L C 2.218 179.156 176.870 0.114 0.000 1.071 9 L CA 1.780 56.676 54.840 0.093 0.000 0.749 9 L CB -1.688 40.443 42.059 0.120 0.000 0.890 9 L HN -0.126 nan 8.230 nan 0.000 0.431 10 L N -0.176 121.053 121.223 0.010 0.000 2.012 10 L HA -0.231 4.090 4.340 -0.031 0.000 0.210 10 L C 2.792 179.608 176.870 -0.090 0.000 1.073 10 L CA 2.113 56.893 54.840 -0.101 0.000 0.748 10 L CB -0.696 41.126 42.059 -0.396 0.000 0.891 10 L HN 0.383 nan 8.230 nan 0.000 0.431 11 R N -0.935 119.506 120.500 -0.099 0.000 2.091 11 R HA -0.231 4.090 4.340 -0.031 0.000 0.238 11 R C 2.371 178.634 176.300 -0.062 0.000 1.136 11 R CA 1.881 57.925 56.100 -0.092 0.000 0.959 11 R CB -0.430 29.825 30.300 -0.074 0.000 0.856 11 R HN 0.612 nan 8.270 nan 0.000 0.437 12 Q N -0.243 119.533 119.800 -0.039 0.000 2.045 12 Q HA -0.245 4.076 4.340 -0.031 0.000 0.206 12 Q C 1.962 177.892 176.000 -0.117 0.000 0.991 12 Q CA 1.924 57.685 55.803 -0.071 0.000 0.851 12 Q CB -0.218 28.479 28.738 -0.069 0.000 0.911 12 Q HN 0.620 nan 8.270 nan 0.000 0.418 13 H N -0.153 118.869 119.070 -0.080 0.000 2.352 13 H HA -0.157 4.376 4.556 -0.037 0.000 0.299 13 H C 2.224 177.440 175.328 -0.187 0.000 1.097 13 H CA 1.446 57.422 56.048 -0.119 0.000 1.311 13 H CB 0.029 29.695 29.762 -0.161 0.000 1.377 13 H HN 0.308 nan 8.280 nan 0.000 0.504 14 I N 0.981 121.497 120.570 -0.090 0.000 2.226 14 I HA -0.233 3.919 4.170 -0.031 0.000 0.245 14 I C 2.496 178.559 176.117 -0.089 0.000 1.100 14 I CA 1.053 62.276 61.300 -0.129 0.000 1.374 14 I CB -0.794 37.123 38.000 -0.140 0.000 1.057 14 I HN 0.168 nan 8.210 nan 0.000 0.413 15 R N -0.005 120.450 120.500 -0.075 0.000 2.073 15 R HA -0.142 4.179 4.340 -0.031 0.000 0.234 15 R C 2.489 178.754 176.300 -0.058 0.000 1.134 15 R CA 1.202 57.266 56.100 -0.062 0.000 0.952 15 R CB -0.345 29.920 30.300 -0.059 0.000 0.850 15 R HN 0.239 nan 8.270 nan 0.000 0.433 16 R N 0.896 121.355 120.500 -0.068 0.000 2.081 16 R HA -0.114 4.207 4.340 -0.031 0.000 0.235 16 R C 2.226 178.508 176.300 -0.031 0.000 1.131 16 R CA 1.358 57.426 56.100 -0.054 0.000 0.960 16 R CB -0.325 29.929 30.300 -0.077 0.000 0.856 16 R HN 0.247 nan 8.270 nan 0.000 0.436 17 L N -0.068 121.133 121.223 -0.036 0.000 2.083 17 L HA -0.195 4.126 4.340 -0.031 0.000 0.209 17 L C 2.804 179.657 176.870 -0.029 0.000 1.083 17 L CA 1.363 56.186 54.840 -0.028 0.000 0.752 17 L CB -0.404 41.614 42.059 -0.069 0.000 0.899 17 L HN 0.228 nan 8.230 nan 0.000 0.433 18 R N 0.285 120.762 120.500 -0.039 0.000 2.070 18 R HA -0.208 4.113 4.340 -0.031 0.000 0.232 18 R C 2.341 178.627 176.300 -0.023 0.000 1.138 18 R CA 1.743 57.824 56.100 -0.032 0.000 0.936 18 R CB -0.165 30.114 30.300 -0.035 0.000 0.839 18 R HN 0.350 nan 8.270 nan 0.000 0.429 19 Q N 0.010 119.796 119.800 -0.023 0.000 2.181 19 Q HA -0.186 4.135 4.340 -0.031 0.000 0.205 19 Q C 1.610 177.603 176.000 -0.012 0.000 0.980 19 Q CA 1.869 57.661 55.803 -0.018 0.000 0.862 19 Q CB 0.029 28.754 28.738 -0.021 0.000 0.905 19 Q HN 0.523 nan 8.270 nan 0.000 0.429 20 E N -0.656 119.539 120.200 -0.008 0.000 2.481 20 E HA 0.035 4.366 4.350 -0.031 0.000 0.195 20 E C 0.656 177.256 176.600 0.000 0.000 1.047 20 E CA 0.266 56.666 56.400 0.000 0.000 0.867 20 E CB 0.263 29.970 29.700 0.011 0.000 0.858 20 E HN 0.489 nan 8.360 nan 0.000 0.513 21 G N 2.275 111.071 108.800 -0.006 0.000 2.160 21 G HA2 -0.275 3.666 3.960 -0.031 0.000 0.244 21 G HA3 -0.275 3.666 3.960 -0.031 0.000 0.244 21 G C -0.121 174.776 174.900 -0.004 0.000 1.022 21 G CA 0.032 45.129 45.100 -0.006 0.000 0.741 21 G HN 0.064 nan 8.290 nan 0.000 0.508 22 K N 0.022 120.420 120.400 -0.003 0.000 2.183 22 K HA 0.385 4.686 4.320 -0.031 0.000 0.274 22 K C 0.582 177.177 176.600 -0.008 0.000 1.009 22 K CA -0.862 55.426 56.287 0.002 0.000 0.888 22 K CB 1.792 34.302 32.500 0.016 0.000 1.078 22 K HN 0.370 nan 8.250 nan 0.000 0.459 23 R N 2.094 122.590 120.500 -0.006 0.000 2.389 23 R HA 0.204 4.525 4.340 -0.031 0.000 0.295 23 R C -0.884 175.407 176.300 -0.015 0.000 1.075 23 R CA -0.310 55.782 56.100 -0.014 0.000 1.005 23 R CB 0.614 30.908 30.300 -0.010 0.000 0.987 23 R HN 0.288 nan 8.270 nan 0.000 0.452 24 V N 3.604 123.500 119.914 -0.030 0.000 2.555 24 V HA 0.639 4.740 4.120 -0.031 0.000 0.302 24 V C -0.390 175.680 176.094 -0.040 0.000 1.038 24 V CA -0.791 61.488 62.300 -0.035 0.000 0.887 24 V CB 1.625 33.412 31.823 -0.061 0.000 0.991 24 V HN 0.967 nan 8.190 nan 0.000 0.434 25 A N 4.596 127.401 122.820 -0.024 0.000 2.331 25 A HA 0.873 5.174 4.320 -0.031 0.000 0.320 25 A C -1.148 176.421 177.584 -0.025 0.000 1.138 25 A CA -0.518 51.502 52.037 -0.028 0.000 0.790 25 A CB 1.306 20.296 19.000 -0.016 0.000 1.206 25 A HN 0.845 nan 8.150 nan 0.000 0.470 26 L N 3.376 124.578 121.223 -0.034 0.000 2.296 26 L HA 0.683 5.004 4.340 -0.031 0.000 0.286 26 L C -1.019 175.813 176.870 -0.063 0.000 1.023 26 L CA -0.234 54.594 54.840 -0.019 0.000 0.812 26 L CB 1.743 43.814 42.059 0.021 0.000 1.223 26 L HN 0.351 nan 8.230 nan 0.000 0.421 27 V N 7.274 127.152 119.914 -0.060 0.000 2.293 27 V HA 0.443 4.544 4.120 -0.031 0.000 0.275 27 V C -2.186 173.854 176.094 -0.090 0.000 1.021 27 V CA -1.360 60.868 62.300 -0.119 0.000 0.815 27 V CB 1.038 32.822 31.823 -0.064 0.000 1.025 27 V HN 0.723 nan 8.190 nan 0.000 0.448 28 P HA 0.430 nan 4.420 nan 0.000 0.281 28 P C -0.179 177.119 177.300 -0.003 0.000 1.252 28 P CA 0.121 63.194 63.100 -0.045 0.000 0.778 28 P CB 1.118 32.798 31.700 -0.034 0.000 0.895 29 T N -0.589 113.991 114.554 0.042 0.000 2.787 29 T HA 0.545 4.876 4.350 -0.031 0.000 0.297 29 T C 0.107 174.845 174.700 0.064 0.000 1.221 29 T CA -0.808 61.322 62.100 0.050 0.000 1.006 29 T CB 1.028 69.874 68.868 -0.037 0.000 1.328 29 T HN 0.150 nan 8.240 nan 0.000 0.509 30 M N 1.429 121.072 119.600 0.072 0.000 2.673 30 M HA 0.408 4.870 4.480 -0.031 0.000 0.334 30 M C 1.049 177.429 176.300 0.134 0.000 1.211 30 M CA -0.011 55.342 55.300 0.090 0.000 0.962 30 M CB 0.027 32.660 32.600 0.056 0.000 1.343 30 M HN 1.277 nan 8.290 nan 0.000 0.511 31 G N 1.965 110.769 108.800 0.006 0.000 2.741 31 G HA2 -0.298 3.644 3.960 -0.031 0.000 0.222 31 G HA3 -0.298 3.644 3.960 -0.031 0.000 0.222 31 G C 0.055 174.928 174.900 -0.045 0.000 1.364 31 G CA -0.080 45.001 45.100 -0.032 0.000 0.866 31 G HN 0.765 nan 8.290 nan 0.000 0.555 32 N N -1.745 116.926 118.700 -0.048 0.000 2.708 32 N HA -0.144 4.577 4.740 -0.031 0.000 0.255 32 N C 0.167 175.646 175.510 -0.052 0.000 1.046 32 N CA 1.371 54.398 53.050 -0.038 0.000 0.715 32 N CB -1.340 37.116 38.487 -0.051 0.000 0.895 32 N HN 0.973 nan 8.380 nan 0.000 0.545 33 L N 0.860 121.991 121.223 -0.153 0.000 2.418 33 L HA 0.513 4.835 4.340 -0.031 0.000 0.265 33 L C 1.068 177.968 176.870 0.051 0.000 1.143 33 L CA -0.576 54.076 54.840 -0.314 0.000 0.809 33 L CB 0.977 42.840 42.059 -0.328 0.000 1.124 33 L HN 0.609 nan 8.230 nan 0.000 0.456 34 H N -2.401 116.901 119.070 0.387 0.000 3.015 34 H HA 0.317 4.855 4.556 -0.029 0.000 0.282 34 H C -0.105 175.329 175.328 0.177 0.000 1.508 34 H CA -0.893 55.278 56.048 0.205 0.000 1.209 34 H CB 0.151 29.998 29.762 0.142 0.000 1.869 34 H HN 0.360 nan 8.280 nan 0.000 0.591 35 D N 0.151 120.759 120.400 0.347 0.000 2.200 35 D HA -0.193 4.428 4.640 -0.031 0.000 0.192 35 D C 2.250 178.637 176.300 0.144 0.000 1.008 35 D CA 2.390 56.513 54.000 0.205 0.000 0.872 35 D CB -0.856 40.035 40.800 0.153 0.000 0.923 35 D HN 0.746 nan 8.370 nan 0.000 0.447 36 G N -0.133 108.803 108.800 0.227 0.000 2.491 36 G HA2 -0.327 3.614 3.960 -0.031 0.000 0.218 36 G HA3 -0.327 3.614 3.960 -0.031 0.000 0.218 36 G C 1.294 176.070 174.900 -0.206 0.000 1.180 36 G CA 1.495 46.566 45.100 -0.048 0.000 0.774 36 G HN 0.413 nan 8.290 nan 0.000 0.562 37 H N -0.311 118.632 119.070 -0.210 0.000 2.353 37 H HA 0.007 4.545 4.556 -0.031 0.000 0.300 37 H C 2.782 178.064 175.328 -0.078 0.000 1.090 37 H CA 1.496 57.451 56.048 -0.155 0.000 1.327 37 H CB -0.121 29.508 29.762 -0.221 0.000 1.383 37 H HN 0.149 nan 8.280 nan 0.000 0.508 38 M N 0.786 120.426 119.600 0.068 0.000 2.144 38 M HA -0.187 4.275 4.480 -0.031 0.000 0.260 38 M C 2.164 178.480 176.300 0.026 0.000 1.067 38 M CA 1.449 56.775 55.300 0.043 0.000 1.095 38 M CB -0.702 31.925 32.600 0.044 0.000 1.365 38 M HN 0.272 nan 8.290 nan 0.000 0.406 39 K N 0.643 121.054 120.400 0.018 0.000 2.057 39 K HA -0.079 4.223 4.320 -0.031 0.000 0.206 39 K C 2.026 178.633 176.600 0.010 0.000 1.050 39 K CA 0.823 57.117 56.287 0.013 0.000 0.935 39 K CB -0.038 32.467 32.500 0.010 0.000 0.715 39 K HN 0.264 nan 8.250 nan 0.000 0.439 40 L N 0.747 121.973 121.223 0.004 0.000 2.021 40 L HA -0.247 4.075 4.340 -0.031 0.000 0.215 40 L C 2.409 179.280 176.870 0.002 0.000 1.074 40 L CA 1.313 56.154 54.840 0.000 0.000 0.760 40 L CB -0.674 41.381 42.059 -0.007 0.000 0.889 40 L HN 0.076 nan 8.230 nan 0.000 0.433 41 V N -0.257 119.664 119.914 0.010 0.000 2.407 41 V HA -0.265 3.836 4.120 -0.031 0.000 0.248 41 V C 2.127 178.227 176.094 0.009 0.000 1.055 41 V CA 1.849 64.155 62.300 0.009 0.000 1.049 41 V CB -0.548 31.284 31.823 0.015 0.000 0.662 41 V HN 0.425 nan 8.190 nan 0.000 0.455 42 D N -0.214 120.193 120.400 0.012 0.000 2.097 42 D HA -0.180 4.441 4.640 -0.031 0.000 0.195 42 D C 2.201 178.507 176.300 0.011 0.000 0.989 42 D CA 1.352 55.358 54.000 0.011 0.000 0.827 42 D CB -0.189 40.618 40.800 0.013 0.000 0.966 42 D HN 0.410 nan 8.370 nan 0.000 0.456 43 E N 0.574 120.781 120.200 0.011 0.000 2.110 43 E HA -0.084 4.248 4.350 -0.031 0.000 0.193 43 E C 1.875 178.481 176.600 0.009 0.000 0.988 43 E CA 1.291 57.698 56.400 0.012 0.000 0.804 43 E CB -0.297 29.412 29.700 0.015 0.000 0.745 43 E HN 0.195 nan 8.360 nan 0.000 0.458 44 A N 0.590 123.413 122.820 0.004 0.000 1.898 44 A HA -0.163 4.138 4.320 -0.031 0.000 0.216 44 A C 2.033 179.620 177.584 0.006 0.000 1.181 44 A CA 1.631 53.668 52.037 0.001 0.000 0.620 44 A CB -0.374 18.622 19.000 -0.006 0.000 0.819 44 A HN 0.163 nan 8.150 nan 0.000 0.442 45 K N -0.192 120.213 120.400 0.009 0.000 2.103 45 K HA -0.092 4.210 4.320 -0.031 0.000 0.207 45 K C 2.101 178.707 176.600 0.010 0.000 1.048 45 K CA 1.117 57.411 56.287 0.011 0.000 0.930 45 K CB -0.310 32.197 32.500 0.011 0.000 0.716 45 K HN 0.445 nan 8.250 nan 0.000 0.444 46 A N 1.069 123.895 122.820 0.010 0.000 2.121 46 A HA -0.110 4.192 4.320 -0.031 0.000 0.218 46 A C 1.635 179.224 177.584 0.009 0.000 1.154 46 A CA 1.140 53.183 52.037 0.010 0.000 0.679 46 A CB -0.108 18.899 19.000 0.011 0.000 0.795 46 A HN 0.225 nan 8.150 nan 0.000 0.458 47 R N -1.938 118.567 120.500 0.008 0.000 2.509 47 R HA 0.511 4.833 4.340 -0.031 0.000 0.297 47 R C 0.080 176.382 176.300 0.003 0.000 0.951 47 R CA 0.541 56.645 56.100 0.007 0.000 1.103 47 R CB 0.756 31.061 30.300 0.007 0.000 1.283 47 R HN 0.396 nan 8.270 nan 0.000 0.534 48 A N -0.158 122.665 122.820 0.005 0.000 2.564 48 A HA 0.360 4.661 4.320 -0.031 0.000 0.288 48 A C -0.662 176.928 177.584 0.010 0.000 1.164 48 A CA -0.746 51.293 52.037 0.004 0.000 0.712 48 A CB 1.258 20.257 19.000 -0.001 0.000 1.303 48 A HN -0.043 nan 8.150 nan 0.000 0.418 49 D N -0.715 119.692 120.400 0.012 0.000 2.213 49 D HA 0.151 4.773 4.640 -0.031 0.000 0.205 49 D C 0.096 176.416 176.300 0.035 0.000 0.961 49 D CA 1.439 55.452 54.000 0.021 0.000 0.853 49 D CB 0.493 41.306 40.800 0.020 0.000 0.967 49 D HN 0.163 nan 8.370 nan 0.000 0.496 50 V N 0.948 120.886 119.914 0.040 0.000 2.841 50 V HA 0.301 4.402 4.120 -0.031 0.000 0.310 50 V C -0.557 175.574 176.094 0.062 0.000 1.090 50 V CA -0.793 61.551 62.300 0.074 0.000 0.930 50 V CB 3.096 34.981 31.823 0.102 0.000 1.014 50 V HN -0.265 nan 8.190 nan 0.000 0.425 51 V N 5.698 125.663 119.914 0.085 0.000 2.487 51 V HA 0.567 4.669 4.120 -0.031 0.000 0.298 51 V C -0.425 175.735 176.094 0.110 0.000 1.028 51 V CA -0.453 61.887 62.300 0.065 0.000 0.860 51 V CB 1.821 33.668 31.823 0.040 0.000 0.991 51 V HN 0.654 nan 8.190 nan 0.000 0.427 52 I N 4.857 125.475 120.570 0.079 0.000 2.389 52 I HA 0.508 4.659 4.170 -0.031 0.000 0.288 52 I C -0.672 175.488 176.117 0.071 0.000 0.999 52 I CA -0.823 60.538 61.300 0.101 0.000 1.129 52 I CB 1.979 39.999 38.000 0.032 0.000 1.288 52 I HN 0.259 nan 8.210 nan 0.000 0.444 53 V N 5.025 124.990 119.914 0.085 0.000 2.417 53 V HA 0.360 4.461 4.120 -0.031 0.000 0.291 53 V C 0.268 176.420 176.094 0.096 0.000 1.024 53 V CA -0.478 61.858 62.300 0.060 0.000 0.861 53 V CB 1.858 33.697 31.823 0.027 0.000 0.985 53 V HN 0.884 nan 8.190 nan 0.000 0.436 54 S N 5.570 121.328 115.700 0.097 0.000 2.525 54 S HA 0.791 5.242 4.470 -0.031 0.000 0.290 54 S C -0.739 173.893 174.600 0.052 0.000 1.152 54 S CA -0.655 57.615 58.200 0.117 0.000 1.072 54 S CB 1.411 64.727 63.200 0.194 0.000 1.027 54 S HN 0.513 nan 8.310 nan 0.000 0.500 55 I N 3.196 123.777 120.570 0.019 0.000 2.448 55 I HA 0.487 4.638 4.170 -0.031 0.000 0.281 55 I C -1.476 174.699 176.117 0.097 0.000 1.027 55 I CA -0.431 60.886 61.300 0.028 0.000 1.111 55 I CB 1.307 39.303 38.000 -0.005 0.000 1.236 55 I HN 0.703 nan 8.210 nan 0.000 0.452 56 F N 7.118 127.023 119.950 -0.075 0.000 2.787 56 F HA 0.400 4.908 4.527 -0.032 0.000 0.340 56 F C -0.941 174.848 175.800 -0.019 0.000 1.232 56 F CA -0.764 57.186 58.000 -0.084 0.000 1.051 56 F CB 1.314 40.241 39.000 -0.120 0.000 1.330 56 F HN -0.020 nan 8.300 nan 0.000 0.522 57 V N 5.379 124.979 119.914 -0.523 0.000 2.397 57 V HA 0.078 4.180 4.120 -0.031 0.000 0.262 57 V C 0.035 175.606 176.094 -0.870 0.000 1.047 57 V CA -0.220 61.779 62.300 -0.503 0.000 1.003 57 V CB 0.282 31.907 31.823 -0.329 0.000 1.037 57 V HN 0.653 nan 8.190 nan 0.000 0.480 58 N N 7.887 126.310 118.700 -0.462 0.000 2.558 58 N HA 0.311 5.032 4.740 -0.031 0.000 0.233 58 N C -1.531 174.023 175.510 0.073 0.000 1.038 58 N CA -1.980 50.880 53.050 -0.316 0.000 0.934 58 N CB 1.670 40.213 38.487 0.095 0.000 1.175 58 N HN 0.179 nan 8.380 nan 0.000 0.512 59 P HA -0.234 nan 4.420 nan 0.000 0.216 59 P C 1.488 178.853 177.300 0.108 0.000 1.154 59 P CA 1.339 64.468 63.100 0.048 0.000 0.865 59 P CB 0.117 31.817 31.700 -0.000 0.000 0.789 60 M N -0.287 119.349 119.600 0.060 0.000 2.202 60 M HA -0.235 4.226 4.480 -0.031 0.000 0.262 60 M C 1.893 178.194 176.300 0.002 0.000 1.063 60 M CA 1.808 57.099 55.300 -0.017 0.000 1.097 60 M CB -0.430 32.152 32.600 -0.029 0.000 1.382 60 M HN -0.015 nan 8.290 nan 0.000 0.413 61 Q N -1.225 118.583 119.800 0.014 0.000 2.360 61 Q HA 0.045 4.367 4.340 -0.031 0.000 0.202 61 Q C -0.538 175.420 176.000 -0.069 0.000 0.915 61 Q CA -0.054 55.687 55.803 -0.102 0.000 0.943 61 Q CB -0.186 28.395 28.738 -0.261 0.000 1.064 61 Q HN 0.345 nan 8.270 nan 0.000 0.511 62 F N 2.589 122.512 119.950 -0.045 0.000 2.368 62 F HA 0.150 4.658 4.527 -0.032 0.000 0.362 62 F C 1.016 176.781 175.800 -0.058 0.000 1.137 62 F CA -0.638 57.324 58.000 -0.063 0.000 1.161 62 F CB 0.977 39.914 39.000 -0.106 0.000 1.265 62 F HN -0.030 nan 8.300 nan 0.000 0.530 63 D N 2.320 122.736 120.400 0.027 0.000 2.157 63 D HA -0.207 4.414 4.640 -0.031 0.000 0.191 63 D C 0.563 176.875 176.300 0.019 0.000 1.004 63 D CA 1.689 55.682 54.000 -0.011 0.000 0.854 63 D CB 0.234 40.980 40.800 -0.090 0.000 0.936 63 D HN 0.505 nan 8.370 nan 0.000 0.446 64 R N -1.490 119.045 120.500 0.058 0.000 2.628 64 R HA 0.431 4.753 4.340 -0.031 0.000 0.288 64 R C -2.290 174.041 176.300 0.051 0.000 0.980 64 R CA -1.506 54.618 56.100 0.041 0.000 0.891 64 R CB 1.181 31.496 30.300 0.025 0.000 1.188 64 R HN -0.270 nan 8.270 nan 0.000 0.450 65 P HA -0.164 nan 4.420 nan 0.000 0.222 65 P C -0.101 177.178 177.300 -0.034 0.000 1.147 65 P CA 1.139 64.227 63.100 -0.020 0.000 0.790 65 P CB 0.217 31.904 31.700 -0.022 0.000 0.780 66 D N -0.263 120.132 120.400 -0.008 0.000 2.085 66 D HA -0.145 4.477 4.640 -0.031 0.000 0.199 66 D C 1.450 177.748 176.300 -0.003 0.000 0.981 66 D CA 1.052 55.046 54.000 -0.009 0.000 0.834 66 D CB -1.065 39.738 40.800 0.005 0.000 0.992 66 D HN 0.079 nan 8.370 nan 0.000 0.457 67 D N 0.657 121.088 120.400 0.052 0.000 2.191 67 D HA -0.181 4.440 4.640 -0.031 0.000 0.190 67 D C 2.066 178.370 176.300 0.007 0.000 1.007 67 D CA 0.546 54.625 54.000 0.132 0.000 0.865 67 D CB -0.457 40.511 40.800 0.280 0.000 0.929 67 D HN 0.080 nan 8.370 nan 0.000 0.447 68 L N 0.412 121.492 121.223 -0.238 0.000 1.970 68 L HA -0.177 4.144 4.340 -0.031 0.000 0.212 68 L C 2.326 178.980 176.870 -0.359 0.000 1.071 68 L CA 1.499 55.914 54.840 -0.708 0.000 0.751 68 L CB -0.817 40.892 42.059 -0.583 0.000 0.889 68 L HN -0.024 nan 8.230 nan 0.000 0.432 69 V N 0.220 120.020 119.914 -0.189 0.000 2.380 69 V HA -0.299 3.803 4.120 -0.031 0.000 0.251 69 V C 2.327 178.380 176.094 -0.068 0.000 1.063 69 V CA 2.268 64.500 62.300 -0.113 0.000 1.055 69 V CB -0.760 31.021 31.823 -0.070 0.000 0.657 69 V HN 0.508 nan 8.190 nan 0.000 0.455 70 R N -1.947 118.532 120.500 -0.035 0.000 2.426 70 R HA 0.151 4.472 4.340 -0.031 0.000 0.263 70 R C -0.082 176.241 176.300 0.039 0.000 0.961 70 R CA -0.285 55.815 56.100 -0.001 0.000 1.086 70 R CB 0.004 30.308 30.300 0.007 0.000 1.186 70 R HN 0.445 nan 8.270 nan 0.000 0.537 71 Y N 3.094 123.337 120.300 -0.094 0.000 2.377 71 Y HA 0.146 4.676 4.550 -0.032 0.000 0.330 71 Y C -1.970 173.906 175.900 -0.039 0.000 1.108 71 Y CA -2.723 55.352 58.100 -0.040 0.000 1.308 71 Y CB 0.639 39.055 38.460 -0.073 0.000 1.216 71 Y HN -0.018 nan 8.280 nan 0.000 0.518 72 P HA 0.141 nan 4.420 nan 0.000 0.267 72 P C -1.163 176.104 177.300 -0.055 0.000 1.209 72 P CA 0.267 63.262 63.100 -0.175 0.000 0.763 72 P CB 0.427 31.977 31.700 -0.249 0.000 0.816 73 R N 1.881 122.371 120.500 -0.017 0.000 2.387 73 R HA 0.574 4.896 4.340 -0.031 0.000 0.314 73 R C 0.004 176.296 176.300 -0.013 0.000 0.958 73 R CA -0.478 55.624 56.100 0.004 0.000 0.846 73 R CB 1.196 31.500 30.300 0.006 0.000 1.147 73 R HN 0.463 nan 8.270 nan 0.000 0.447 74 T N -0.081 114.466 114.554 -0.011 0.000 4.130 74 T HA 0.049 4.380 4.350 -0.031 0.000 0.262 74 T C 0.712 175.403 174.700 -0.015 0.000 0.951 74 T CA -0.469 61.621 62.100 -0.016 0.000 1.180 74 T CB 0.097 68.953 68.868 -0.020 0.000 1.009 74 T HN 0.342 nan 8.240 nan 0.000 0.536 75 L N 1.435 122.651 121.223 -0.012 0.000 2.021 75 L HA -0.107 4.214 4.340 -0.031 0.000 0.215 75 L C 2.652 179.514 176.870 -0.014 0.000 1.074 75 L CA 2.111 56.944 54.840 -0.013 0.000 0.760 75 L CB -0.417 41.635 42.059 -0.011 0.000 0.889 75 L HN 0.575 nan 8.230 nan 0.000 0.433 76 Q N -0.724 119.068 119.800 -0.012 0.000 2.050 76 Q HA -0.220 4.101 4.340 -0.031 0.000 0.202 76 Q C 1.963 177.956 176.000 -0.012 0.000 0.980 76 Q CA 2.053 57.849 55.803 -0.011 0.000 0.840 76 Q CB -0.146 28.587 28.738 -0.009 0.000 0.898 76 Q HN 0.745 nan 8.270 nan 0.000 0.424 77 E N 0.152 120.345 120.200 -0.011 0.000 2.204 77 E HA -0.179 4.153 4.350 -0.031 0.000 0.194 77 E C 1.258 177.850 176.600 -0.013 0.000 0.989 77 E CA 0.967 57.362 56.400 -0.009 0.000 0.824 77 E CB -0.245 29.452 29.700 -0.005 0.000 0.756 77 E HN 0.361 nan 8.360 nan 0.000 0.477 78 D N 1.357 121.744 120.400 -0.021 0.000 2.084 78 D HA -0.106 4.515 4.640 -0.031 0.000 0.194 78 D C 2.098 178.382 176.300 -0.027 0.000 0.990 78 D CA 1.333 55.312 54.000 -0.035 0.000 0.826 78 D CB -0.638 40.133 40.800 -0.047 0.000 0.971 78 D HN 0.229 nan 8.370 nan 0.000 0.453 79 C N 0.797 120.084 119.300 -0.021 0.000 2.425 79 C HA -0.089 4.352 4.460 -0.031 0.000 0.277 79 C C 2.577 177.557 174.990 -0.016 0.000 1.280 79 C CA 0.350 59.357 59.018 -0.018 0.000 1.744 79 C CB -0.849 26.881 27.740 -0.017 0.000 1.989 79 C HN 0.404 nan 8.230 nan 0.000 0.491 80 E N 0.691 120.883 120.200 -0.013 0.000 2.097 80 E HA -0.218 4.113 4.350 -0.031 0.000 0.196 80 E C 2.212 178.807 176.600 -0.007 0.000 1.000 80 E CA 1.360 57.755 56.400 -0.009 0.000 0.804 80 E CB -0.023 29.674 29.700 -0.006 0.000 0.740 80 E HN 0.631 nan 8.360 nan 0.000 0.454 81 K N 0.103 120.499 120.400 -0.006 0.000 2.103 81 K HA -0.048 4.254 4.320 -0.031 0.000 0.204 81 K C 2.202 178.800 176.600 -0.004 0.000 1.052 81 K CA 0.757 57.044 56.287 -0.001 0.000 0.945 81 K CB -0.008 32.495 32.500 0.005 0.000 0.722 81 K HN 0.136 nan 8.250 nan 0.000 0.443 82 L N 0.972 122.188 121.223 -0.011 0.000 2.109 82 L HA -0.139 4.183 4.340 -0.031 0.000 0.207 82 L C 2.284 179.146 176.870 -0.013 0.000 1.086 82 L CA 0.978 55.811 54.840 -0.011 0.000 0.760 82 L CB -0.538 41.513 42.059 -0.014 0.000 0.910 82 L HN 0.219 nan 8.230 nan 0.000 0.437 83 N N 0.602 119.292 118.700 -0.017 0.000 2.120 83 N HA -0.207 4.515 4.740 -0.031 0.000 0.188 83 N C 1.800 177.300 175.510 -0.016 0.000 1.024 83 N CA 1.389 54.426 53.050 -0.021 0.000 0.852 83 N CB 0.050 38.523 38.487 -0.023 0.000 1.003 83 N HN 0.112 nan 8.380 nan 0.000 0.424 84 K N -0.329 120.065 120.400 -0.010 0.000 2.063 84 K HA -0.071 4.231 4.320 -0.031 0.000 0.208 84 K C 1.618 178.216 176.600 -0.004 0.000 1.048 84 K CA 0.953 57.237 56.287 -0.005 0.000 0.928 84 K CB -0.048 32.452 32.500 -0.001 0.000 0.713 84 K HN 0.040 nan 8.250 nan 0.000 0.442 85 R N 0.957 121.455 120.500 -0.002 0.000 2.328 85 R HA -0.001 4.321 4.340 -0.031 0.000 0.200 85 R C -0.540 175.758 176.300 -0.003 0.000 0.983 85 R CA 0.417 56.517 56.100 0.001 0.000 1.062 85 R CB 0.131 30.434 30.300 0.005 0.000 0.956 85 R HN -0.017 nan 8.270 nan 0.000 0.479 86 K N -1.014 119.380 120.400 -0.010 0.000 3.162 86 K HA -0.142 4.160 4.320 -0.031 0.000 0.268 86 K C -0.925 175.665 176.600 -0.015 0.000 1.062 86 K CA 0.490 56.768 56.287 -0.015 0.000 0.769 86 K CB -2.641 29.853 32.500 -0.009 0.000 1.274 86 K HN 0.064 nan 8.250 nan 0.000 0.478 87 V N 1.076 120.979 119.914 -0.018 0.000 2.649 87 V HA 0.049 4.150 4.120 -0.031 0.000 0.292 87 V C 1.805 177.873 176.094 -0.044 0.000 1.055 87 V CA -0.124 62.168 62.300 -0.012 0.000 1.023 87 V CB 1.296 33.117 31.823 -0.003 0.000 0.992 87 V HN 0.284 nan 8.190 nan 0.000 0.480 88 D N 2.242 122.625 120.400 -0.027 0.000 2.149 88 D HA -0.000 4.621 4.640 -0.031 0.000 0.206 88 D C -0.399 175.679 176.300 -0.370 0.000 0.967 88 D CA 1.675 55.593 54.000 -0.138 0.000 0.848 88 D CB 0.323 41.144 40.800 0.035 0.000 0.998 88 D HN 0.556 nan 8.370 nan 0.000 0.474 89 Y N 0.113 120.393 120.300 -0.033 0.000 2.406 89 Y HA 0.364 4.918 4.550 0.006 0.000 0.340 89 Y C -0.392 175.503 175.900 -0.008 0.000 0.975 89 Y CA -0.878 57.195 58.100 -0.045 0.000 1.056 89 Y CB 2.322 40.739 38.460 -0.071 0.000 1.210 89 Y HN -0.368 nan 8.280 nan 0.000 0.448 90 V N 4.651 124.638 119.914 0.121 0.000 2.398 90 V HA 0.284 4.386 4.120 -0.031 0.000 0.286 90 V C -0.956 175.256 176.094 0.197 0.000 1.026 90 V CA -0.766 61.604 62.300 0.116 0.000 0.868 90 V CB 1.275 33.126 31.823 0.047 0.000 0.982 90 V HN 0.548 nan 8.190 nan 0.000 0.443 91 F N 5.219 125.178 119.950 0.016 0.000 2.361 91 F HA 0.762 5.268 4.527 -0.034 0.000 0.364 91 F C 0.216 176.013 175.800 -0.004 0.000 1.117 91 F CA -1.439 56.558 58.000 -0.006 0.000 1.071 91 F CB 1.207 40.192 39.000 -0.026 0.000 1.188 91 F HN 0.489 nan 8.300 nan 0.000 0.464 92 A N 8.575 131.187 122.820 -0.346 0.000 3.216 92 A HA 0.512 4.814 4.320 -0.031 0.000 0.321 92 A C -2.945 174.426 177.584 -0.355 0.000 1.042 92 A CA -1.134 50.719 52.037 -0.306 0.000 0.838 92 A CB -0.222 18.721 19.000 -0.095 0.000 1.136 92 A HN 0.457 nan 8.150 nan 0.000 0.483 93 P HA 0.521 nan 4.420 nan 0.000 0.279 93 P C 0.109 177.326 177.300 -0.139 0.000 1.252 93 P CA -0.115 62.729 63.100 -0.426 0.000 0.811 93 P CB 1.444 32.726 31.700 -0.698 0.000 1.035 94 A N 1.506 124.289 122.820 -0.062 0.000 2.332 94 A HA 0.236 4.537 4.320 -0.031 0.000 0.258 94 A C 1.635 179.293 177.584 0.123 0.000 1.087 94 A CA -0.487 51.581 52.037 0.052 0.000 0.802 94 A CB -0.295 18.715 19.000 0.017 0.000 1.042 94 A HN 0.352 nan 8.150 nan 0.000 0.489 95 V N 1.443 121.503 119.914 0.243 0.000 2.380 95 V HA -0.237 3.864 4.120 -0.031 0.000 0.251 95 V C 2.317 178.500 176.094 0.148 0.000 1.063 95 V CA 2.421 64.902 62.300 0.301 0.000 1.055 95 V CB -1.001 30.948 31.823 0.209 0.000 0.657 95 V HN 0.986 nan 8.190 nan 0.000 0.455 96 E N 0.387 120.628 120.200 0.069 0.000 2.502 96 E HA -0.159 4.173 4.350 -0.031 0.000 0.194 96 E C 1.753 178.331 176.600 -0.038 0.000 1.062 96 E CA 0.856 57.269 56.400 0.021 0.000 0.867 96 E CB 0.149 29.855 29.700 0.010 0.000 0.888 96 E HN 0.683 nan 8.360 nan 0.000 0.510 97 E N 0.984 121.146 120.200 -0.063 0.000 2.127 97 E HA 0.006 4.337 4.350 -0.031 0.000 0.191 97 E C 1.882 178.380 176.600 -0.170 0.000 0.964 97 E CA 0.472 56.812 56.400 -0.099 0.000 0.832 97 E CB 0.042 29.683 29.700 -0.099 0.000 0.790 97 E HN 0.113 nan 8.360 nan 0.000 0.465 98 I N 0.009 120.396 120.570 -0.304 0.000 2.333 98 I HA -0.129 4.023 4.170 -0.031 0.000 0.246 98 I C 0.434 176.253 176.117 -0.497 0.000 1.106 98 I CA 1.136 62.111 61.300 -0.540 0.000 1.411 98 I CB -0.621 36.776 38.000 -1.006 0.000 1.082 98 I HN 0.105 nan 8.210 nan 0.000 0.420 99 Y N 0.845 121.153 120.300 0.013 0.000 2.747 99 Y HA 0.295 4.828 4.550 -0.029 0.000 0.362 99 Y C -1.557 174.314 175.900 -0.047 0.000 1.026 99 Y CA -1.856 56.257 58.100 0.021 0.000 1.135 99 Y CB 0.178 38.687 38.460 0.082 0.000 1.175 99 Y HN 0.024 nan 8.280 nan 0.000 0.643 100 P HA -0.192 nan 4.420 nan 0.000 0.217 100 P C 0.336 177.404 177.300 -0.388 0.000 1.148 100 P CA 1.814 64.733 63.100 -0.302 0.000 0.828 100 P CB 0.237 31.605 31.700 -0.554 0.000 0.783 101 H N -1.514 117.623 119.070 0.112 0.000 2.528 101 H HA 0.442 4.980 4.556 -0.030 0.000 0.256 101 H C 1.234 176.607 175.328 0.075 0.000 1.204 101 H CA 0.155 56.251 56.048 0.080 0.000 0.955 101 H CB -0.213 29.587 29.762 0.063 0.000 1.817 101 H HN 0.090 nan 8.280 nan 0.000 0.579 102 G N 0.834 109.723 108.800 0.148 0.000 2.806 102 G HA2 -0.281 3.661 3.960 -0.031 0.000 0.236 102 G HA3 -0.281 3.661 3.960 -0.031 0.000 0.236 102 G C 0.760 175.664 174.900 0.007 0.000 1.387 102 G CA -0.160 44.988 45.100 0.079 0.000 0.884 102 G HN 0.383 nan 8.290 nan 0.000 0.560 103 L N 0.191 121.359 121.223 -0.092 0.000 2.554 103 L HA 0.104 4.425 4.340 -0.031 0.000 0.226 103 L C 2.581 179.413 176.870 -0.065 0.000 1.137 103 L CA 1.188 55.921 54.840 -0.178 0.000 0.863 103 L CB -0.387 41.535 42.059 -0.229 0.000 0.985 103 L HN 0.646 nan 8.230 nan 0.000 0.451 104 E N 1.082 121.274 120.200 -0.013 0.000 2.031 104 E HA -0.148 4.183 4.350 -0.031 0.000 0.193 104 E C 2.047 178.669 176.600 0.038 0.000 0.994 104 E CA 1.469 57.873 56.400 0.008 0.000 0.800 104 E CB -0.455 29.254 29.700 0.016 0.000 0.752 104 E HN 0.351 nan 8.360 nan 0.000 0.447 105 G N 0.075 108.909 108.800 0.057 0.000 3.371 105 G HA2 -0.009 3.932 3.960 -0.031 0.000 0.248 105 G HA3 -0.009 3.932 3.960 -0.031 0.000 0.248 105 G C 0.104 175.066 174.900 0.103 0.000 1.161 105 G CA -0.388 44.757 45.100 0.075 0.000 0.796 105 G HN 0.033 nan 8.290 nan 0.000 0.539 106 Q N 1.221 121.087 119.800 0.108 0.000 2.313 106 Q HA 0.280 4.602 4.340 -0.031 0.000 0.266 106 Q C 0.251 176.356 176.000 0.176 0.000 0.989 106 Q CA 0.051 55.940 55.803 0.143 0.000 0.890 106 Q CB 0.315 29.112 28.738 0.100 0.000 1.200 106 Q HN 0.047 nan 8.270 nan 0.000 0.396 107 T N 5.637 120.275 114.554 0.140 0.000 2.902 107 T HA 0.216 4.547 4.350 -0.031 0.000 0.301 107 T C -0.650 174.133 174.700 0.140 0.000 1.012 107 T CA 0.415 62.561 62.100 0.077 0.000 1.151 107 T CB -0.321 68.571 68.868 0.039 0.000 0.946 107 T HN 0.516 nan 8.240 nan 0.000 0.542 108 Y N 0.501 120.831 120.300 0.050 0.000 2.562 108 Y HA 0.806 5.337 4.550 -0.031 0.000 0.343 108 Y C -1.054 174.872 175.900 0.043 0.000 1.025 108 Y CA -1.671 56.458 58.100 0.048 0.000 1.082 108 Y CB 0.965 39.442 38.460 0.029 0.000 1.264 108 Y HN 0.259 nan 8.280 nan 0.000 0.478 109 V N 2.553 122.599 119.914 0.221 0.000 2.444 109 V HA 0.324 4.426 4.120 -0.031 0.000 0.294 109 V C -1.173 175.039 176.094 0.196 0.000 1.022 109 V CA -0.521 61.860 62.300 0.134 0.000 0.850 109 V CB 1.367 33.251 31.823 0.100 0.000 0.992 109 V HN 0.834 nan 8.190 nan 0.000 0.426 110 D N 3.046 123.554 120.400 0.179 0.000 2.375 110 D HA 0.472 5.093 4.640 -0.031 0.000 0.247 110 D C -0.834 175.513 176.300 0.079 0.000 1.061 110 D CA -0.191 53.905 54.000 0.160 0.000 0.834 110 D CB 2.465 43.402 40.800 0.228 0.000 1.247 110 D HN 0.263 nan 8.370 nan 0.000 0.489 111 V N 6.124 126.064 119.914 0.042 0.000 2.348 111 V HA 0.314 4.416 4.120 -0.031 0.000 0.270 111 V C -1.909 174.182 176.094 -0.004 0.000 1.037 111 V CA -1.326 60.977 62.300 0.005 0.000 0.872 111 V CB 1.042 32.843 31.823 -0.036 0.000 1.002 111 V HN 0.425 nan 8.190 nan 0.000 0.464 112 P HA 0.347 nan 4.420 nan 0.000 0.277 112 P C 0.942 178.235 177.300 -0.012 0.000 1.240 112 P CA 0.940 64.043 63.100 0.006 0.000 0.798 112 P CB 1.528 33.237 31.700 0.015 0.000 0.979 113 G N 1.703 110.498 108.800 -0.008 0.000 5.229 113 G HA2 -0.391 3.550 3.960 -0.031 0.000 0.250 113 G HA3 -0.391 3.550 3.960 -0.031 0.000 0.250 113 G C 1.217 176.090 174.900 -0.044 0.000 1.380 113 G CA 0.400 45.489 45.100 -0.017 0.000 0.933 113 G HN 0.481 nan 8.290 nan 0.000 0.731 114 L N 1.946 123.122 121.223 -0.078 0.000 2.089 114 L HA -0.152 4.169 4.340 -0.031 0.000 0.213 114 L C 3.147 179.877 176.870 -0.233 0.000 1.079 114 L CA 2.637 57.382 54.840 -0.159 0.000 0.758 114 L CB -0.502 41.444 42.059 -0.189 0.000 0.891 114 L HN 0.720 nan 8.230 nan 0.000 0.433 115 S N -2.492 113.127 115.700 -0.134 0.000 2.528 115 S HA -0.050 4.402 4.470 -0.031 0.000 0.219 115 S C 1.538 176.212 174.600 0.123 0.000 0.985 115 S CA 0.665 58.833 58.200 -0.053 0.000 0.914 115 S CB -0.177 63.047 63.200 0.040 0.000 0.776 115 S HN 0.538 nan 8.310 nan 0.000 0.526 116 T N -0.219 114.372 114.554 0.060 0.000 3.040 116 T HA 0.424 4.755 4.350 -0.031 0.000 0.266 116 T C 0.587 175.329 174.700 0.070 0.000 1.005 116 T CA -0.526 61.624 62.100 0.084 0.000 0.906 116 T CB -0.271 68.627 68.868 0.051 0.000 1.082 116 T HN 0.577 nan 8.240 nan 0.000 0.531 117 M N 1.277 120.904 119.600 0.045 0.000 2.369 117 M HA 0.574 5.036 4.480 -0.031 0.000 0.291 117 M C 0.344 176.690 176.300 0.076 0.000 1.178 117 M CA -0.803 54.524 55.300 0.044 0.000 0.996 117 M CB 0.778 33.387 32.600 0.016 0.000 1.472 117 M HN 0.014 nan 8.290 nan 0.000 0.496 118 L N -1.592 119.678 121.223 0.077 0.000 5.840 118 L HA -0.378 3.943 4.340 -0.031 0.000 0.053 118 L C 1.752 178.695 176.870 0.122 0.000 2.327 118 L CA 1.643 56.545 54.840 0.103 0.000 1.715 118 L CB -1.508 40.626 42.059 0.124 0.000 2.706 118 L HN 1.008 nan 8.230 nan 0.000 0.957 119 E N 0.315 120.608 120.200 0.155 0.000 2.219 119 E HA -0.184 4.148 4.350 -0.031 0.000 0.198 119 E C 1.779 178.474 176.600 0.157 0.000 0.998 119 E CA 1.382 57.862 56.400 0.132 0.000 0.818 119 E CB -0.243 29.527 29.700 0.116 0.000 0.741 119 E HN 0.677 nan 8.360 nan 0.000 0.477 120 G N 0.453 109.452 108.800 0.331 0.000 2.432 120 G HA2 -0.237 3.705 3.960 -0.031 0.000 0.219 120 G HA3 -0.237 3.705 3.960 -0.031 0.000 0.219 120 G C 1.580 176.560 174.900 0.134 0.000 1.135 120 G CA 0.734 46.022 45.100 0.313 0.000 0.767 120 G HN 0.390 nan 8.290 nan 0.000 0.550 121 A N 1.128 124.005 122.820 0.096 0.000 1.969 121 A HA 0.046 4.348 4.320 -0.031 0.000 0.218 121 A C 2.551 180.154 177.584 0.032 0.000 1.169 121 A CA 2.142 54.213 52.037 0.057 0.000 0.635 121 A CB -0.385 18.644 19.000 0.049 0.000 0.810 121 A HN 0.587 nan 8.150 nan 0.000 0.445 122 S N -1.011 114.702 115.700 0.021 0.000 2.575 122 S HA 0.195 4.647 4.470 -0.031 0.000 0.215 122 S C 0.700 175.283 174.600 -0.028 0.000 0.966 122 S CA -0.272 57.925 58.200 -0.004 0.000 0.911 122 S CB 0.039 63.233 63.200 -0.008 0.000 0.780 122 S HN 0.551 nan 8.310 nan 0.000 0.514 123 R N 1.929 122.412 120.500 -0.028 0.000 2.653 123 R HA 0.294 4.616 4.340 -0.031 0.000 0.269 123 R C -3.152 173.136 176.300 -0.021 0.000 1.603 123 R CA -1.580 54.481 56.100 -0.065 0.000 1.671 123 R CB 0.580 30.773 30.300 -0.178 0.000 1.300 123 R HN 0.235 nan 8.270 nan 0.000 0.668 124 P HA -0.079 nan 4.420 nan 0.000 0.262 124 P C 0.914 178.204 177.300 -0.018 0.000 1.182 124 P CA 1.366 64.463 63.100 -0.005 0.000 0.761 124 P CB 0.986 32.677 31.700 -0.015 0.000 0.795 125 G N 2.290 111.078 108.800 -0.020 0.000 2.284 125 G HA2 -0.361 3.581 3.960 -0.031 0.000 0.247 125 G HA3 -0.361 3.581 3.960 -0.031 0.000 0.247 125 G C 1.044 175.913 174.900 -0.050 0.000 1.012 125 G CA 0.783 45.851 45.100 -0.053 0.000 0.618 125 G HN 0.691 nan 8.290 nan 0.000 0.521 126 H N 0.071 119.042 119.070 -0.164 0.000 2.253 126 H HA 0.094 4.632 4.556 -0.031 0.000 0.296 126 H C 2.344 177.516 175.328 -0.260 0.000 1.074 126 H CA 2.400 58.275 56.048 -0.289 0.000 1.263 126 H CB -0.590 28.887 29.762 -0.475 0.000 1.363 126 H HN 0.456 nan 8.280 nan 0.000 0.489 127 F N 0.297 120.079 119.950 -0.281 0.000 2.269 127 F HA -0.104 4.404 4.527 -0.032 0.000 0.301 127 F C 2.964 178.646 175.800 -0.197 0.000 1.082 127 F CA 1.064 58.879 58.000 -0.308 0.000 1.360 127 F CB -0.168 38.744 39.000 -0.146 0.000 1.041 127 F HN 0.179 nan 8.300 nan 0.000 0.512 128 R N 0.867 121.384 120.500 0.029 0.000 2.081 128 R HA -0.121 4.201 4.340 -0.031 0.000 0.235 128 R C 2.483 178.779 176.300 -0.007 0.000 1.131 128 R CA 1.520 57.628 56.100 0.014 0.000 0.960 128 R CB -0.945 29.324 30.300 -0.051 0.000 0.856 128 R HN 0.325 nan 8.270 nan 0.000 0.436 129 G N 0.285 109.043 108.800 -0.070 0.000 2.442 129 G HA2 -0.228 3.713 3.960 -0.031 0.000 0.219 129 G HA3 -0.228 3.713 3.960 -0.031 0.000 0.219 129 G C 1.400 176.274 174.900 -0.043 0.000 1.141 129 G CA 0.965 46.035 45.100 -0.050 0.000 0.763 129 G HN 0.244 nan 8.290 nan 0.000 0.554 130 V N 1.688 121.525 119.914 -0.128 0.000 2.307 130 V HA -0.178 3.924 4.120 -0.031 0.000 0.245 130 V C 3.258 179.333 176.094 -0.032 0.000 1.045 130 V CA 2.385 64.633 62.300 -0.087 0.000 1.024 130 V CB -0.410 31.349 31.823 -0.106 0.000 0.651 130 V HN 0.606 nan 8.190 nan 0.000 0.449 131 S N -1.041 114.649 115.700 -0.017 0.000 2.402 131 S HA -0.188 4.263 4.470 -0.031 0.000 0.229 131 S C 1.901 176.503 174.600 0.003 0.000 1.021 131 S CA 1.725 59.910 58.200 -0.025 0.000 0.974 131 S CB -0.645 62.557 63.200 0.003 0.000 0.800 131 S HN 0.553 nan 8.310 nan 0.000 0.484 132 T N 2.178 116.766 114.554 0.057 0.000 2.777 132 T HA 0.104 4.436 4.350 -0.031 0.000 0.266 132 T C 1.638 176.389 174.700 0.085 0.000 1.040 132 T CA 1.255 63.418 62.100 0.105 0.000 1.141 132 T CB -0.377 68.592 68.868 0.169 0.000 0.868 132 T HN 0.365 nan 8.240 nan 0.000 0.444 133 I N 0.908 121.530 120.570 0.087 0.000 2.406 133 I HA 0.024 4.175 4.170 -0.031 0.000 0.249 133 I C 2.215 178.319 176.117 -0.023 0.000 1.122 133 I CA 0.710 62.066 61.300 0.093 0.000 1.431 133 I CB -0.432 37.688 38.000 0.201 0.000 1.087 133 I HN -0.004 nan 8.210 nan 0.000 0.424 134 V N -0.179 119.672 119.914 -0.106 0.000 2.343 134 V HA -0.285 3.816 4.120 -0.031 0.000 0.247 134 V C 2.700 178.440 176.094 -0.590 0.000 1.051 134 V CA 2.073 64.169 62.300 -0.341 0.000 1.036 134 V CB -1.018 30.574 31.823 -0.385 0.000 0.654 134 V HN 0.552 nan 8.190 nan 0.000 0.451 135 S N -0.604 114.887 115.700 -0.349 0.000 2.353 135 S HA -0.313 4.139 4.470 -0.031 0.000 0.222 135 S C 2.163 176.749 174.600 -0.023 0.000 1.035 135 S CA 2.348 60.443 58.200 -0.175 0.000 1.025 135 S CB -0.314 62.922 63.200 0.059 0.000 0.902 135 S HN 0.604 nan 8.310 nan 0.000 0.440 136 K N 0.275 120.678 120.400 0.005 0.000 2.032 136 K HA -0.074 4.227 4.320 -0.031 0.000 0.209 136 K C 2.180 178.797 176.600 0.027 0.000 1.048 136 K CA 1.593 57.902 56.287 0.036 0.000 0.927 136 K CB -0.334 32.180 32.500 0.023 0.000 0.712 136 K HN 0.404 nan 8.250 nan 0.000 0.441 137 L N 0.075 121.297 121.223 -0.002 0.000 2.042 137 L HA -0.180 4.141 4.340 -0.031 0.000 0.210 137 L C 2.366 179.329 176.870 0.156 0.000 1.076 137 L CA 1.430 56.302 54.840 0.053 0.000 0.749 137 L CB -0.417 41.678 42.059 0.060 0.000 0.893 137 L HN 0.257 nan 8.230 nan 0.000 0.432 138 F N -0.011 119.882 119.950 -0.095 0.000 2.134 138 F HA -0.238 4.270 4.527 -0.032 0.000 0.299 138 F C 2.382 178.142 175.800 -0.068 0.000 1.097 138 F CA 0.519 58.414 58.000 -0.176 0.000 1.264 138 F CB -0.196 38.487 39.000 -0.529 0.000 1.001 138 F HN 0.264 nan 8.300 nan 0.000 0.479 139 N N 0.530 119.359 118.700 0.215 0.000 2.216 139 N HA -0.117 4.604 4.740 -0.031 0.000 0.183 139 N C 1.981 177.533 175.510 0.070 0.000 1.017 139 N CA 0.591 53.748 53.050 0.178 0.000 0.861 139 N CB -0.553 38.040 38.487 0.177 0.000 0.986 139 N HN 0.268 nan 8.380 nan 0.000 0.428 140 L N 0.445 121.685 121.223 0.029 0.000 2.017 140 L HA -0.054 4.267 4.340 -0.031 0.000 0.208 140 L C 1.691 178.504 176.870 -0.095 0.000 1.073 140 L CA 1.438 56.243 54.840 -0.058 0.000 0.745 140 L CB -0.133 41.861 42.059 -0.109 0.000 0.894 140 L HN 0.116 nan 8.230 nan 0.000 0.432 141 I N -1.735 118.794 120.570 -0.069 0.000 3.708 141 I HA -0.067 4.084 4.170 -0.031 0.000 0.302 141 I C 0.592 176.661 176.117 -0.081 0.000 1.255 141 I CA 0.076 61.313 61.300 -0.106 0.000 1.362 141 I CB 0.313 38.255 38.000 -0.096 0.000 1.100 141 I HN 0.258 nan 8.210 nan 0.000 0.434 142 Q N 0.981 120.754 119.800 -0.046 0.000 2.451 142 Q HA -0.160 4.162 4.340 -0.031 0.000 0.305 142 Q C -2.132 173.804 176.000 -0.107 0.000 1.345 142 Q CA -0.266 55.500 55.803 -0.062 0.000 0.854 142 Q CB -1.391 27.323 28.738 -0.040 0.000 1.162 142 Q HN 0.358 nan 8.270 nan 0.000 0.440 143 P HA -0.038 nan 4.420 nan 0.000 0.272 143 P C 0.040 177.246 177.300 -0.157 0.000 1.240 143 P CA -0.012 63.001 63.100 -0.145 0.000 0.791 143 P CB 0.704 32.309 31.700 -0.158 0.000 0.978 144 D N -0.128 120.208 120.400 -0.107 0.000 2.162 144 D HA 0.038 4.659 4.640 -0.031 0.000 0.203 144 D C 0.594 176.837 176.300 -0.095 0.000 0.967 144 D CA 1.357 55.304 54.000 -0.088 0.000 0.840 144 D CB 0.326 41.094 40.800 -0.053 0.000 0.972 144 D HN 0.250 nan 8.370 nan 0.000 0.482 145 I N 0.315 120.833 120.570 -0.087 0.000 2.647 145 I HA 0.493 4.644 4.170 -0.031 0.000 0.295 145 I C -0.438 175.642 176.117 -0.060 0.000 1.078 145 I CA -0.989 60.276 61.300 -0.057 0.000 1.048 145 I CB 1.901 39.886 38.000 -0.025 0.000 1.239 145 I HN -0.255 nan 8.210 nan 0.000 0.421 146 A N 4.304 127.120 122.820 -0.007 0.000 2.414 146 A HA 0.737 5.038 4.320 -0.031 0.000 0.306 146 A C -1.185 176.419 177.584 0.034 0.000 1.054 146 A CA -0.382 51.670 52.037 0.025 0.000 0.724 146 A CB 1.499 20.627 19.000 0.214 0.000 1.267 146 A HN 0.740 nan 8.150 nan 0.000 0.418 147 C N 1.366 120.559 119.300 -0.179 0.000 2.351 147 C HA 0.839 5.280 4.460 -0.031 0.000 0.326 147 C C -0.661 174.056 174.990 -0.455 0.000 1.272 147 C CA -0.412 58.520 59.018 -0.142 0.000 1.650 147 C CB -0.658 27.030 27.740 -0.087 0.000 2.257 147 C HN 0.649 nan 8.230 nan 0.000 0.505 148 F N 0.743 120.733 119.950 0.067 0.000 2.588 148 F HA 0.633 5.144 4.527 -0.027 0.000 0.314 148 F C 0.812 176.644 175.800 0.053 0.000 1.069 148 F CA -0.376 57.663 58.000 0.065 0.000 0.931 148 F CB 1.162 40.202 39.000 0.066 0.000 1.260 148 F HN 0.719 nan 8.300 nan 0.000 0.465 149 G N 0.489 109.419 108.800 0.216 0.000 2.467 149 G HA2 0.240 4.181 3.960 -0.031 0.000 0.257 149 G HA3 0.240 4.181 3.960 -0.031 0.000 0.257 149 G C 0.314 175.306 174.900 0.154 0.000 1.227 149 G CA -0.340 44.840 45.100 0.134 0.000 0.835 149 G HN 0.833 nan 8.290 nan 0.000 0.556 150 E N 0.549 120.824 120.200 0.124 0.000 2.418 150 E HA -0.098 4.233 4.350 -0.031 0.000 0.197 150 E C 2.093 178.791 176.600 0.164 0.000 1.026 150 E CA 0.337 56.818 56.400 0.135 0.000 0.862 150 E CB 0.208 29.973 29.700 0.108 0.000 0.799 150 E HN 0.659 nan 8.360 nan 0.000 0.518 151 K N 1.303 121.788 120.400 0.142 0.000 2.148 151 K HA -0.104 4.197 4.320 -0.031 0.000 0.204 151 K C 0.031 176.762 176.600 0.218 0.000 1.050 151 K CA 0.944 57.328 56.287 0.163 0.000 0.942 151 K CB 0.209 32.772 32.500 0.106 0.000 0.724 151 K HN 0.001 nan 8.250 nan 0.000 0.446 152 D N 1.845 122.337 120.400 0.154 0.000 2.524 152 D HA 0.028 4.649 4.640 -0.031 0.000 0.222 152 D C 0.679 176.968 176.300 -0.019 0.000 1.142 152 D CA -0.207 53.830 54.000 0.062 0.000 0.973 152 D CB 0.216 41.058 40.800 0.070 0.000 1.025 152 D HN 0.273 nan 8.370 nan 0.000 0.519 153 F N 0.305 120.286 119.950 0.053 0.000 2.234 153 F HA -0.080 4.429 4.527 -0.031 0.000 0.299 153 F C 2.329 178.121 175.800 -0.013 0.000 1.087 153 F CA 0.419 58.432 58.000 0.021 0.000 1.340 153 F CB -0.307 38.703 39.000 0.017 0.000 1.031 153 F HN 0.089 nan 8.300 nan 0.000 0.500 154 Q N 0.379 119.658 119.800 -0.869 0.000 2.049 154 Q HA -0.197 4.124 4.340 -0.031 0.000 0.198 154 Q C 2.481 178.234 176.000 -0.411 0.000 0.971 154 Q CA 1.440 56.875 55.803 -0.613 0.000 0.833 154 Q CB -0.220 28.104 28.738 -0.691 0.000 0.896 154 Q HN 0.602 nan 8.270 nan 0.000 0.434 155 Q N -0.043 119.628 119.800 -0.216 0.000 2.045 155 Q HA -0.215 4.106 4.340 -0.031 0.000 0.206 155 Q C 2.189 178.053 176.000 -0.227 0.000 0.991 155 Q CA 1.495 57.227 55.803 -0.119 0.000 0.851 155 Q CB -0.189 28.564 28.738 0.024 0.000 0.911 155 Q HN 0.344 nan 8.270 nan 0.000 0.418 156 L N 0.364 121.483 121.223 -0.173 0.000 2.081 156 L HA -0.182 4.139 4.340 -0.031 0.000 0.212 156 L C 2.056 178.823 176.870 -0.172 0.000 1.080 156 L CA 2.218 56.945 54.840 -0.188 0.000 0.754 156 L CB -0.658 41.383 42.059 -0.029 0.000 0.893 156 L HN 0.172 nan 8.230 nan 0.000 0.433 157 A N -1.441 121.293 122.820 -0.144 0.000 1.970 157 A HA -0.081 4.220 4.320 -0.031 0.000 0.216 157 A C 2.171 179.660 177.584 -0.158 0.000 1.170 157 A CA 1.187 53.155 52.037 -0.116 0.000 0.645 157 A CB -0.737 18.215 19.000 -0.080 0.000 0.816 157 A HN 0.410 nan 8.150 nan 0.000 0.447 158 L N 0.087 121.167 121.223 -0.237 0.000 1.990 158 L HA -0.207 4.114 4.340 -0.031 0.000 0.213 158 L C 2.137 178.905 176.870 -0.171 0.000 1.072 158 L CA 1.914 56.611 54.840 -0.238 0.000 0.755 158 L CB -0.334 41.539 42.059 -0.309 0.000 0.889 158 L HN 0.333 nan 8.230 nan 0.000 0.432 159 I N -0.584 119.851 120.570 -0.225 0.000 2.252 159 I HA -0.214 3.938 4.170 -0.031 0.000 0.245 159 I C 2.678 178.739 176.117 -0.094 0.000 1.102 159 I CA 1.287 62.457 61.300 -0.217 0.000 1.385 159 I CB -1.389 36.310 38.000 -0.502 0.000 1.064 159 I HN 0.341 nan 8.210 nan 0.000 0.414 160 R N 0.620 121.059 120.500 -0.102 0.000 2.081 160 R HA -0.194 4.127 4.340 -0.031 0.000 0.235 160 R C 2.227 178.527 176.300 -0.000 0.000 1.131 160 R CA 1.172 57.255 56.100 -0.028 0.000 0.960 160 R CB -0.335 29.947 30.300 -0.029 0.000 0.856 160 R HN 0.157 nan 8.270 nan 0.000 0.436 161 K N 1.504 121.889 120.400 -0.026 0.000 2.057 161 K HA -0.091 4.211 4.320 -0.031 0.000 0.207 161 K C 1.974 178.585 176.600 0.018 0.000 1.049 161 K CA 1.413 57.694 56.287 -0.011 0.000 0.931 161 K CB -0.365 32.114 32.500 -0.035 0.000 0.714 161 K HN 0.061 nan 8.250 nan 0.000 0.440 162 M N -0.247 119.367 119.600 0.024 0.000 2.082 162 M HA -0.186 4.275 4.480 -0.031 0.000 0.258 162 M C 1.681 178.084 176.300 0.171 0.000 1.069 162 M CA 1.791 57.142 55.300 0.084 0.000 1.102 162 M CB -0.075 32.576 32.600 0.085 0.000 1.336 162 M HN 0.031 nan 8.290 nan 0.000 0.404 163 V N 0.582 120.616 119.914 0.200 0.000 2.427 163 V HA -0.226 3.876 4.120 -0.031 0.000 0.248 163 V C 2.619 178.812 176.094 0.166 0.000 1.051 163 V CA 1.793 64.267 62.300 0.291 0.000 1.048 163 V CB -1.227 30.736 31.823 0.233 0.000 0.666 163 V HN 0.657 nan 8.190 nan 0.000 0.456 164 A N -0.045 122.832 122.820 0.094 0.000 1.855 164 A HA -0.227 4.074 4.320 -0.031 0.000 0.215 164 A C 2.013 179.616 177.584 0.032 0.000 1.191 164 A CA 2.008 54.076 52.037 0.051 0.000 0.613 164 A CB -0.674 18.345 19.000 0.032 0.000 0.829 164 A HN 0.510 nan 8.150 nan 0.000 0.442 165 D N -0.714 119.704 120.400 0.030 0.000 2.144 165 D HA -0.077 4.544 4.640 -0.031 0.000 0.200 165 D C 1.584 177.877 176.300 -0.012 0.000 0.978 165 D CA 1.054 55.059 54.000 0.009 0.000 0.833 165 D CB -0.177 40.629 40.800 0.011 0.000 0.961 165 D HN 0.244 nan 8.370 nan 0.000 0.470 166 M N -0.321 119.274 119.600 -0.008 0.000 2.495 166 M HA 0.137 4.599 4.480 -0.031 0.000 0.237 166 M C 0.341 176.523 176.300 -0.196 0.000 1.131 166 M CA -0.016 55.221 55.300 -0.105 0.000 1.032 166 M CB -0.284 32.248 32.600 -0.113 0.000 1.513 166 M HN -0.245 nan 8.290 nan 0.000 0.488 167 S N 0.586 116.237 115.700 -0.082 0.000 3.749 167 S HA -0.175 4.276 4.470 -0.031 0.000 0.348 167 S C -0.565 173.991 174.600 -0.073 0.000 1.045 167 S CA 0.245 58.404 58.200 -0.069 0.000 1.051 167 S CB -1.667 61.479 63.200 -0.089 0.000 0.898 167 S HN 0.444 nan 8.310 nan 0.000 0.472 168 Y N 1.372 121.695 120.300 0.037 0.000 2.393 168 Y HA 0.301 4.833 4.550 -0.030 0.000 0.338 168 Y C 0.783 176.671 175.900 -0.020 0.000 1.029 168 Y CA -1.012 57.101 58.100 0.022 0.000 1.239 168 Y CB 0.543 39.048 38.460 0.076 0.000 1.170 168 Y HN 0.136 nan 8.280 nan 0.000 0.515 169 D N 4.953 125.427 120.400 0.122 0.000 2.688 169 D HA 0.229 4.850 4.640 -0.031 0.000 0.228 169 D C -0.810 175.486 176.300 -0.007 0.000 1.116 169 D CA 0.384 54.410 54.000 0.043 0.000 1.023 169 D CB -0.761 40.051 40.800 0.020 0.000 1.100 169 D HN 0.393 nan 8.370 nan 0.000 0.487 170 I N 1.009 121.562 120.570 -0.029 0.000 2.619 170 I HA 0.209 4.360 4.170 -0.031 0.000 0.292 170 I C 0.022 176.102 176.117 -0.062 0.000 1.100 170 I CA -1.083 60.139 61.300 -0.131 0.000 1.043 170 I CB 2.474 40.246 38.000 -0.381 0.000 1.239 170 I HN 0.024 nan 8.210 nan 0.000 0.420 171 E N 6.705 126.875 120.200 -0.049 0.000 2.152 171 E HA 0.285 4.616 4.350 -0.031 0.000 0.285 171 E C -1.054 175.569 176.600 0.037 0.000 1.043 171 E CA -0.615 55.785 56.400 0.001 0.000 0.839 171 E CB 0.868 30.571 29.700 0.005 0.000 1.069 171 E HN 0.323 nan 8.360 nan 0.000 0.399 172 I N 5.822 126.441 120.570 0.081 0.000 2.312 172 I HA 0.146 4.297 4.170 -0.031 0.000 0.291 172 I C -0.327 175.882 176.117 0.153 0.000 1.031 172 I CA -0.655 60.745 61.300 0.167 0.000 1.293 172 I CB 1.037 39.125 38.000 0.147 0.000 1.403 172 I HN 0.361 nan 8.210 nan 0.000 0.484 173 V N 6.207 126.236 119.914 0.190 0.000 2.328 173 V HA 0.454 4.555 4.120 -0.031 0.000 0.278 173 V C 0.831 177.031 176.094 0.176 0.000 1.021 173 V CA -0.706 61.678 62.300 0.139 0.000 0.838 173 V CB 1.384 33.261 31.823 0.090 0.000 0.999 173 V HN 0.892 nan 8.190 nan 0.000 0.447 174 G N 4.309 113.195 108.800 0.144 0.000 2.349 174 G HA2 0.463 4.405 3.960 -0.031 0.000 0.281 174 G HA3 0.463 4.405 3.960 -0.031 0.000 0.281 174 G C -0.476 174.490 174.900 0.110 0.000 1.182 174 G CA -0.153 45.035 45.100 0.146 0.000 0.899 174 G HN 0.540 nan 8.290 nan 0.000 0.455 175 V N 5.572 125.551 119.914 0.109 0.000 2.394 175 V HA 0.265 4.367 4.120 -0.031 0.000 0.282 175 V C -1.931 174.202 176.094 0.064 0.000 1.031 175 V CA -1.764 60.579 62.300 0.072 0.000 0.881 175 V CB 1.897 33.752 31.823 0.052 0.000 0.982 175 V HN 0.563 nan 8.190 nan 0.000 0.451 176 P HA 0.168 nan 4.420 nan 0.000 0.268 176 P C 0.121 177.436 177.300 0.025 0.000 1.205 176 P CA -0.097 63.029 63.100 0.043 0.000 0.771 176 P CB 0.370 32.092 31.700 0.037 0.000 0.858 177 I N 0.099 120.678 120.570 0.015 0.000 2.938 177 I HA 0.170 4.322 4.170 -0.031 0.000 0.285 177 I C 0.165 176.265 176.117 -0.027 0.000 1.182 177 I CA -0.195 61.102 61.300 -0.004 0.000 1.388 177 I CB 0.086 38.078 38.000 -0.013 0.000 1.390 177 I HN 0.169 nan 8.210 nan 0.000 0.600 178 I N 4.670 125.227 120.570 -0.022 0.000 2.517 178 I HA 0.163 4.314 4.170 -0.031 0.000 0.285 178 I C 0.538 176.619 176.117 -0.061 0.000 1.106 178 I CA 0.356 61.639 61.300 -0.028 0.000 1.402 178 I CB -0.068 37.927 38.000 -0.008 0.000 1.399 178 I HN 0.663 nan 8.210 nan 0.000 0.535 179 R N 4.537 124.988 120.500 -0.081 0.000 2.787 179 R HA 0.724 5.046 4.340 -0.031 0.000 0.271 179 R C -0.289 175.966 176.300 -0.076 0.000 0.993 179 R CA -0.837 55.191 56.100 -0.120 0.000 0.993 179 R CB 1.707 31.878 30.300 -0.216 0.000 1.155 179 R HN 0.691 nan 8.270 nan 0.000 0.486 180 A N 1.262 124.039 122.820 -0.072 0.000 2.346 180 A HA 0.112 4.414 4.320 -0.031 0.000 0.252 180 A C 0.814 178.380 177.584 -0.029 0.000 1.089 180 A CA -0.108 51.906 52.037 -0.039 0.000 0.797 180 A CB 0.342 19.326 19.000 -0.028 0.000 1.047 180 A HN 0.831 nan 8.150 nan 0.000 0.494 181 K N -0.112 120.282 120.400 -0.010 0.000 2.160 181 K HA -0.203 4.098 4.320 -0.031 0.000 0.206 181 K C 0.886 177.495 176.600 0.015 0.000 1.047 181 K CA 1.995 58.284 56.287 0.003 0.000 0.930 181 K CB -0.123 32.382 32.500 0.008 0.000 0.720 181 K HN 0.888 nan 8.250 nan 0.000 0.450 182 D N -1.916 118.494 120.400 0.016 0.000 2.349 182 D HA 0.007 4.629 4.640 -0.031 0.000 0.215 182 D C 1.154 177.493 176.300 0.064 0.000 1.016 182 D CA 0.958 54.983 54.000 0.041 0.000 0.870 182 D CB 0.488 41.312 40.800 0.041 0.000 0.917 182 D HN 0.288 nan 8.370 nan 0.000 0.524 183 G N -0.239 108.562 108.800 0.001 0.000 2.352 183 G HA2 -0.216 3.725 3.960 -0.031 0.000 0.204 183 G HA3 -0.216 3.725 3.960 -0.031 0.000 0.204 183 G C -0.029 174.717 174.900 -0.257 0.000 1.004 183 G CA -0.162 44.888 45.100 -0.085 0.000 0.648 183 G HN 0.387 nan 8.290 nan 0.000 0.491 184 L N 2.639 123.811 121.223 -0.084 0.000 2.578 184 L HA 0.567 4.888 4.340 -0.031 0.000 0.279 184 L C 1.127 177.922 176.870 -0.125 0.000 1.227 184 L CA 0.490 55.290 54.840 -0.066 0.000 0.900 184 L CB 0.293 42.349 42.059 -0.005 0.000 1.144 184 L HN 1.058 nan 8.230 nan 0.000 0.496 185 A N 6.921 129.667 122.820 -0.123 0.000 2.484 185 A HA 0.276 4.578 4.320 -0.031 0.000 0.268 185 A C 0.016 177.560 177.584 -0.066 0.000 1.114 185 A CA -0.378 51.593 52.037 -0.109 0.000 0.780 185 A CB -0.652 18.299 19.000 -0.082 0.000 1.061 185 A HN 0.745 nan 8.150 nan 0.000 0.505 186 L N 3.061 124.245 121.223 -0.064 0.000 2.462 186 L HA 0.386 4.707 4.340 -0.031 0.000 0.272 186 L C 0.836 177.671 176.870 -0.058 0.000 1.166 186 L CA 0.331 55.140 54.840 -0.051 0.000 0.880 186 L CB 0.437 42.469 42.059 -0.045 0.000 1.142 186 L HN 0.849 nan 8.230 nan 0.000 0.473 187 S N 0.581 116.246 115.700 -0.059 0.000 2.636 187 S HA 0.284 4.735 4.470 -0.031 0.000 0.266 187 S C 0.573 175.136 174.600 -0.061 0.000 1.147 187 S CA -0.034 58.126 58.200 -0.068 0.000 0.815 187 S CB 1.208 64.380 63.200 -0.047 0.000 1.119 187 S HN 0.618 nan 8.310 nan 0.000 0.470 188 S N 1.718 117.380 115.700 -0.063 0.000 2.371 188 S HA 0.005 4.456 4.470 -0.031 0.000 0.224 188 S C 1.695 176.285 174.600 -0.017 0.000 1.029 188 S CA 0.739 58.912 58.200 -0.045 0.000 0.978 188 S CB -0.671 62.500 63.200 -0.048 0.000 0.833 188 S HN 0.712 nan 8.310 nan 0.000 0.466 189 R N 2.196 122.686 120.500 -0.017 0.000 2.276 189 R HA 0.040 4.361 4.340 -0.031 0.000 0.243 189 R C 0.657 176.979 176.300 0.036 0.000 1.161 189 R CA 1.142 57.243 56.100 0.002 0.000 1.007 189 R CB -0.621 29.665 30.300 -0.024 0.000 0.867 189 R HN 0.390 nan 8.270 nan 0.000 0.472 190 N N -0.359 118.353 118.700 0.020 0.000 2.471 190 N HA 0.012 4.734 4.740 -0.031 0.000 0.205 190 N C 0.430 175.960 175.510 0.033 0.000 1.251 190 N CA 0.644 53.711 53.050 0.028 0.000 0.843 190 N CB 0.513 39.004 38.487 0.006 0.000 1.044 190 N HN 0.267 nan 8.380 nan 0.000 0.461 191 A N -0.695 122.159 122.820 0.056 0.000 2.014 191 A HA -0.013 4.288 4.320 -0.031 0.000 0.210 191 A C 1.526 179.158 177.584 0.080 0.000 1.188 191 A CA 0.145 52.215 52.037 0.054 0.000 0.731 191 A CB -0.370 18.662 19.000 0.052 0.000 0.858 191 A HN 0.384 nan 8.150 nan 0.000 0.464 192 Y N 0.606 120.910 120.300 0.006 0.000 2.470 192 Y HA 0.453 4.984 4.550 -0.031 0.000 0.284 192 Y C -0.101 175.807 175.900 0.015 0.000 1.188 192 Y CA -0.384 57.725 58.100 0.015 0.000 1.269 192 Y CB -0.156 38.322 38.460 0.030 0.000 1.094 192 Y HN 0.057 nan 8.280 nan 0.000 0.518 193 L N 3.107 124.303 121.223 -0.045 0.000 2.312 193 L HA 0.152 4.473 4.340 -0.031 0.000 0.287 193 L C 0.779 177.554 176.870 -0.158 0.000 1.091 193 L CA -0.428 54.357 54.840 -0.092 0.000 0.846 193 L CB 0.121 42.175 42.059 -0.008 0.000 1.219 193 L HN 0.311 nan 8.230 nan 0.000 0.439 194 T N 0.011 114.420 114.554 -0.242 0.000 2.939 194 T HA 0.048 4.380 4.350 -0.031 0.000 0.319 194 T C 1.504 176.142 174.700 -0.104 0.000 1.082 194 T CA 0.026 62.022 62.100 -0.174 0.000 1.133 194 T CB 1.330 70.089 68.868 -0.182 0.000 1.019 194 T HN 0.643 nan 8.240 nan 0.000 0.548 195 A N 1.525 124.298 122.820 -0.078 0.000 2.009 195 A HA -0.213 4.089 4.320 -0.031 0.000 0.222 195 A C 2.312 179.866 177.584 -0.051 0.000 1.175 195 A CA 2.205 54.209 52.037 -0.054 0.000 0.651 195 A CB -0.975 17.999 19.000 -0.043 0.000 0.815 195 A HN 1.040 nan 8.150 nan 0.000 0.459 196 E N -0.701 119.462 120.200 -0.062 0.000 2.122 196 E HA -0.168 4.163 4.350 -0.031 0.000 0.190 196 E C 2.079 178.636 176.600 -0.071 0.000 0.977 196 E CA 0.935 57.300 56.400 -0.058 0.000 0.820 196 E CB -0.144 29.522 29.700 -0.057 0.000 0.770 196 E HN 0.803 nan 8.360 nan 0.000 0.462 197 Q N 0.046 119.795 119.800 -0.085 0.000 2.172 197 Q HA -0.130 4.192 4.340 -0.031 0.000 0.200 197 Q C 2.187 178.142 176.000 -0.074 0.000 0.964 197 Q CA 0.953 56.697 55.803 -0.098 0.000 0.855 197 Q CB -0.048 28.639 28.738 -0.085 0.000 0.918 197 Q HN -0.026 nan 8.270 nan 0.000 0.444 198 R N 1.721 122.191 120.500 -0.050 0.000 2.081 198 R HA -0.110 4.211 4.340 -0.031 0.000 0.235 198 R C 1.953 178.246 176.300 -0.012 0.000 1.131 198 R CA 1.461 57.547 56.100 -0.022 0.000 0.960 198 R CB -0.259 30.028 30.300 -0.022 0.000 0.856 198 R HN -0.037 nan 8.270 nan 0.000 0.436 199 K N 0.322 120.709 120.400 -0.023 0.000 2.147 199 K HA -0.090 4.211 4.320 -0.031 0.000 0.205 199 K C 1.858 178.455 176.600 -0.006 0.000 1.049 199 K CA 1.542 57.822 56.287 -0.011 0.000 0.936 199 K CB -0.125 32.365 32.500 -0.018 0.000 0.722 199 K HN 0.327 nan 8.250 nan 0.000 0.446 200 I N 0.310 120.854 120.570 -0.044 0.000 2.703 200 I HA -0.113 4.039 4.170 -0.031 0.000 0.259 200 I C 2.321 178.438 176.117 0.001 0.000 1.151 200 I CA 0.526 61.782 61.300 -0.073 0.000 1.470 200 I CB -0.186 37.674 38.000 -0.232 0.000 1.112 200 I HN 0.048 nan 8.210 nan 0.000 0.437 201 A N 2.063 124.898 122.820 0.024 0.000 1.915 201 A HA -0.193 4.108 4.320 -0.031 0.000 0.220 201 A C -0.149 177.629 177.584 0.323 0.000 1.198 201 A CA 2.081 54.243 52.037 0.208 0.000 0.647 201 A CB -2.136 16.938 19.000 0.122 0.000 0.825 201 A HN 0.267 nan 8.150 nan 0.000 0.456 202 P HA -0.076 nan 4.420 nan 0.000 0.226 202 P C 1.493 178.926 177.300 0.221 0.000 1.146 202 P CA 1.364 64.575 63.100 0.185 0.000 0.773 202 P CB -0.442 31.336 31.700 0.129 0.000 0.772 203 G N 0.150 109.128 108.800 0.298 0.000 2.450 203 G HA2 -0.267 3.674 3.960 -0.031 0.000 0.220 203 G HA3 -0.267 3.674 3.960 -0.031 0.000 0.220 203 G C 1.383 176.350 174.900 0.113 0.000 1.130 203 G CA 0.420 45.692 45.100 0.287 0.000 0.760 203 G HN 0.242 nan 8.290 nan 0.000 0.557 204 L N -0.532 120.691 121.223 -0.000 0.000 2.017 204 L HA -0.026 4.295 4.340 -0.031 0.000 0.208 204 L C 2.453 179.306 176.870 -0.029 0.000 1.073 204 L CA 1.665 56.364 54.840 -0.234 0.000 0.745 204 L CB -0.820 41.064 42.059 -0.291 0.000 0.894 204 L HN 0.321 nan 8.230 nan 0.000 0.432 205 Y N 0.133 120.401 120.300 -0.054 0.000 2.314 205 Y HA -0.163 4.369 4.550 -0.030 0.000 0.293 205 Y C 2.387 178.271 175.900 -0.027 0.000 1.129 205 Y CA 1.507 59.585 58.100 -0.037 0.000 1.201 205 Y CB -0.264 38.190 38.460 -0.011 0.000 0.999 205 Y HN 0.350 nan 8.280 nan 0.000 0.541 206 N N -0.241 118.442 118.700 -0.029 0.000 2.106 206 N HA -0.170 4.552 4.740 -0.031 0.000 0.188 206 N C 2.055 177.488 175.510 -0.129 0.000 1.029 206 N CA 1.701 54.690 53.050 -0.102 0.000 0.848 206 N CB -0.785 37.699 38.487 -0.005 0.000 1.007 206 N HN 0.256 nan 8.380 nan 0.000 0.423 207 V N 1.977 121.838 119.914 -0.088 0.000 2.380 207 V HA -0.235 3.867 4.120 -0.031 0.000 0.251 207 V C 2.342 178.360 176.094 -0.126 0.000 1.063 207 V CA 1.408 63.652 62.300 -0.094 0.000 1.055 207 V CB -0.437 31.328 31.823 -0.096 0.000 0.657 207 V HN 0.311 nan 8.190 nan 0.000 0.455 208 M N -0.135 119.368 119.600 -0.161 0.000 2.099 208 M HA -0.136 4.326 4.480 -0.031 0.000 0.262 208 M C 2.115 178.287 176.300 -0.215 0.000 1.067 208 M CA 1.627 56.824 55.300 -0.172 0.000 1.124 208 M CB -0.739 31.773 32.600 -0.146 0.000 1.353 208 M HN 0.380 nan 8.290 nan 0.000 0.410 209 N N 0.246 118.747 118.700 -0.332 0.000 2.289 209 N HA -0.130 4.591 4.740 -0.031 0.000 0.184 209 N C 1.796 177.208 175.510 -0.163 0.000 1.016 209 N CA 1.381 54.258 53.050 -0.289 0.000 0.872 209 N CB -0.471 37.788 38.487 -0.380 0.000 0.973 209 N HN 0.273 nan 8.380 nan 0.000 0.433 210 S N 0.663 116.282 115.700 -0.134 0.000 2.383 210 S HA 0.062 4.513 4.470 -0.031 0.000 0.227 210 S C 1.937 176.492 174.600 -0.075 0.000 1.026 210 S CA 0.360 58.508 58.200 -0.086 0.000 0.981 210 S CB -0.100 63.060 63.200 -0.067 0.000 0.818 210 S HN 0.211 nan 8.310 nan 0.000 0.472 211 I N 1.712 122.232 120.570 -0.084 0.000 2.179 211 I HA -0.140 4.012 4.170 -0.031 0.000 0.242 211 I C 2.885 178.962 176.117 -0.067 0.000 1.088 211 I CA 1.108 62.366 61.300 -0.070 0.000 1.357 211 I CB -0.703 37.253 38.000 -0.074 0.000 1.051 211 I HN 0.368 nan 8.210 nan 0.000 0.409 212 A N 0.603 123.374 122.820 -0.082 0.000 1.908 212 A HA -0.268 4.034 4.320 -0.031 0.000 0.218 212 A C 2.220 179.773 177.584 -0.053 0.000 1.181 212 A CA 2.007 54.003 52.037 -0.068 0.000 0.627 212 A CB -0.660 18.291 19.000 -0.081 0.000 0.818 212 A HN 0.448 nan 8.150 nan 0.000 0.445 213 E N -0.350 119.815 120.200 -0.057 0.000 2.051 213 E HA -0.191 4.141 4.350 -0.031 0.000 0.192 213 E C 2.131 178.711 176.600 -0.034 0.000 0.991 213 E CA 1.570 57.944 56.400 -0.043 0.000 0.799 213 E CB -0.099 29.575 29.700 -0.044 0.000 0.748 213 E HN 0.617 nan 8.360 nan 0.000 0.449 214 K N 0.270 120.648 120.400 -0.036 0.000 2.057 214 K HA -0.106 4.195 4.320 -0.031 0.000 0.206 214 K C 2.231 178.816 176.600 -0.025 0.000 1.050 214 K CA 0.905 57.175 56.287 -0.029 0.000 0.935 214 K CB -0.099 32.383 32.500 -0.029 0.000 0.715 214 K HN 0.118 nan 8.250 nan 0.000 0.439 215 L N 0.798 122.004 121.223 -0.029 0.000 2.005 215 L HA -0.178 4.144 4.340 -0.031 0.000 0.207 215 L C 2.417 179.275 176.870 -0.020 0.000 1.072 215 L CA 1.138 55.963 54.840 -0.025 0.000 0.744 215 L CB -0.486 41.555 42.059 -0.029 0.000 0.895 215 L HN 0.139 nan 8.230 nan 0.000 0.433 216 I N 0.021 120.578 120.570 -0.021 0.000 2.151 216 I HA -0.262 3.890 4.170 -0.031 0.000 0.243 216 I C 1.812 177.921 176.117 -0.013 0.000 1.080 216 I CA 0.834 62.124 61.300 -0.016 0.000 1.339 216 I CB -0.447 37.543 38.000 -0.017 0.000 1.039 216 I HN 0.215 nan 8.210 nan 0.000 0.409 217 A N 0.440 123.251 122.820 -0.014 0.000 2.281 217 A HA 0.345 4.646 4.320 -0.031 0.000 0.271 217 A C 1.349 178.926 177.584 -0.011 0.000 1.196 217 A CA 0.294 52.324 52.037 -0.012 0.000 0.807 217 A CB -0.417 18.576 19.000 -0.013 0.000 1.138 217 A HN 0.415 nan 8.150 nan 0.000 0.506 218 G N 0.102 108.896 108.800 -0.010 0.000 3.424 218 G HA2 0.122 4.064 3.960 -0.031 0.000 0.263 218 G HA3 0.122 4.064 3.960 -0.031 0.000 0.263 218 G C 0.307 175.201 174.900 -0.010 0.000 1.310 218 G CA -0.199 44.896 45.100 -0.009 0.000 1.089 218 G HN 0.574 nan 8.290 nan 0.000 0.534 219 N N 0.778 119.471 118.700 -0.012 0.000 2.475 219 N HA 0.178 4.899 4.740 -0.031 0.000 0.267 219 N C 0.764 176.266 175.510 -0.013 0.000 1.169 219 N CA -0.134 52.909 53.050 -0.013 0.000 0.947 219 N CB 0.707 39.184 38.487 -0.016 0.000 1.061 219 N HN 0.024 nan 8.380 nan 0.000 0.466 220 R N 1.502 121.995 120.500 -0.012 0.000 2.538 220 R HA 0.117 4.439 4.340 -0.031 0.000 0.372 220 R C -0.625 175.668 176.300 -0.010 0.000 0.950 220 R CA -0.155 55.938 56.100 -0.011 0.000 1.168 220 R CB 0.337 30.632 30.300 -0.009 0.000 1.542 220 R HN 0.535 nan 8.270 nan 0.000 0.536 221 E N 2.250 122.444 120.200 -0.010 0.000 1.842 221 E HA 0.082 4.414 4.350 -0.031 0.000 0.278 221 E C 1.245 177.838 176.600 -0.011 0.000 1.171 221 E CA -0.025 56.369 56.400 -0.009 0.000 1.127 221 E CB 0.165 29.860 29.700 -0.008 0.000 1.100 221 E HN 0.188 nan 8.360 nan 0.000 0.456 222 L N 0.588 121.805 121.223 -0.011 0.000 2.027 222 L HA -0.251 4.071 4.340 -0.031 0.000 0.206 222 L C 2.297 179.159 176.870 -0.013 0.000 1.074 222 L CA 1.268 56.100 54.840 -0.014 0.000 0.745 222 L CB -0.327 41.724 42.059 -0.014 0.000 0.898 222 L HN 0.357 nan 8.230 nan 0.000 0.433 223 Q N 0.114 119.908 119.800 -0.010 0.000 2.030 223 Q HA -0.296 4.026 4.340 -0.031 0.000 0.204 223 Q C 2.020 178.016 176.000 -0.008 0.000 0.986 223 Q CA 1.887 57.686 55.803 -0.008 0.000 0.843 223 Q CB -0.363 28.372 28.738 -0.005 0.000 0.904 223 Q HN 0.487 nan 8.270 nan 0.000 0.420 224 E N 1.085 121.280 120.200 -0.008 0.000 2.049 224 E HA -0.232 4.099 4.350 -0.031 0.000 0.198 224 E C 2.021 178.615 176.600 -0.011 0.000 1.007 224 E CA 1.390 57.785 56.400 -0.008 0.000 0.809 224 E CB -0.145 29.550 29.700 -0.007 0.000 0.749 224 E HN 0.330 nan 8.360 nan 0.000 0.450 225 I N 0.646 121.208 120.570 -0.014 0.000 2.113 225 I HA -0.355 3.797 4.170 -0.031 0.000 0.242 225 I C 2.476 178.579 176.117 -0.022 0.000 1.064 225 I CA 1.376 62.664 61.300 -0.020 0.000 1.320 225 I CB -0.363 37.623 38.000 -0.024 0.000 1.028 225 I HN 0.269 nan 8.210 nan 0.000 0.406 226 I N 0.617 121.174 120.570 -0.021 0.000 2.163 226 I HA -0.320 3.832 4.170 -0.031 0.000 0.243 226 I C 2.811 178.919 176.117 -0.016 0.000 1.085 226 I CA 1.509 62.796 61.300 -0.022 0.000 1.347 226 I CB -0.516 37.473 38.000 -0.020 0.000 1.044 226 I HN 0.220 nan 8.210 nan 0.000 0.408 227 A N 0.923 123.737 122.820 -0.009 0.000 1.908 227 A HA -0.205 4.096 4.320 -0.031 0.000 0.218 227 A C 2.294 179.876 177.584 -0.004 0.000 1.181 227 A CA 1.634 53.669 52.037 -0.004 0.000 0.627 227 A CB -0.913 18.086 19.000 -0.001 0.000 0.818 227 A HN 0.390 nan 8.150 nan 0.000 0.445 228 I N -0.200 120.365 120.570 -0.007 0.000 2.151 228 I HA -0.345 3.807 4.170 -0.031 0.000 0.243 228 I C 2.992 179.104 176.117 -0.009 0.000 1.080 228 I CA 1.223 62.519 61.300 -0.007 0.000 1.339 228 I CB -0.335 37.659 38.000 -0.010 0.000 1.039 228 I HN 0.376 nan 8.210 nan 0.000 0.409 229 A N 0.331 123.140 122.820 -0.018 0.000 1.883 229 A HA -0.262 4.040 4.320 -0.031 0.000 0.217 229 A C 2.214 179.786 177.584 -0.020 0.000 1.186 229 A CA 1.934 53.953 52.037 -0.028 0.000 0.624 229 A CB -0.720 18.253 19.000 -0.044 0.000 0.822 229 A HN 0.470 nan 8.150 nan 0.000 0.444 230 E N -0.324 119.870 120.200 -0.011 0.000 2.049 230 E HA -0.302 4.030 4.350 -0.031 0.000 0.198 230 E C 2.316 178.929 176.600 0.022 0.000 1.007 230 E CA 1.805 58.208 56.400 0.005 0.000 0.809 230 E CB -0.328 29.379 29.700 0.011 0.000 0.749 230 E HN 0.800 nan 8.360 nan 0.000 0.450 231 Q N 0.735 120.547 119.800 0.019 0.000 2.050 231 Q HA -0.191 4.131 4.340 -0.031 0.000 0.202 231 Q C 2.151 178.173 176.000 0.037 0.000 0.980 231 Q CA 1.400 57.220 55.803 0.028 0.000 0.840 231 Q CB -0.178 28.572 28.738 0.020 0.000 0.898 231 Q HN 0.329 nan 8.270 nan 0.000 0.424 232 E N 0.851 121.066 120.200 0.026 0.000 2.070 232 E HA -0.220 4.112 4.350 -0.031 0.000 0.197 232 E C 2.101 178.743 176.600 0.071 0.000 1.004 232 E CA 1.138 57.559 56.400 0.035 0.000 0.805 232 E CB -0.236 29.473 29.700 0.015 0.000 0.744 232 E HN 0.309 nan 8.360 nan 0.000 0.451 233 L N 1.216 122.476 121.223 0.061 0.000 1.989 233 L HA -0.243 4.078 4.340 -0.031 0.000 0.211 233 L C 2.179 179.179 176.870 0.217 0.000 1.071 233 L CA 1.013 55.929 54.840 0.128 0.000 0.749 233 L CB -0.567 41.489 42.059 -0.005 0.000 0.890 233 L HN 0.174 nan 8.230 nan 0.000 0.431 234 N N -0.128 118.656 118.700 0.140 0.000 2.149 234 N HA -0.243 4.478 4.740 -0.031 0.000 0.188 234 N C 1.781 177.356 175.510 0.109 0.000 1.019 234 N CA 1.439 54.568 53.050 0.130 0.000 0.857 234 N CB -0.238 38.301 38.487 0.086 0.000 0.997 234 N HN 0.364 nan 8.380 nan 0.000 0.426 235 E N 1.451 121.707 120.200 0.092 0.000 2.072 235 E HA -0.075 4.256 4.350 -0.031 0.000 0.191 235 E C 1.420 178.065 176.600 0.076 0.000 0.985 235 E CA 1.272 57.713 56.400 0.069 0.000 0.801 235 E CB 0.006 29.739 29.700 0.055 0.000 0.750 235 E HN 0.246 nan 8.360 nan 0.000 0.452 236 K N -1.301 119.170 120.400 0.119 0.000 2.360 236 K HA -0.001 4.301 4.320 -0.031 0.000 0.201 236 K C 1.168 177.786 176.600 0.031 0.000 1.046 236 K CA 0.777 57.130 56.287 0.109 0.000 0.945 236 K CB 0.028 32.663 32.500 0.225 0.000 0.750 236 K HN 0.370 nan 8.250 nan 0.000 0.464 237 G N -0.272 108.559 108.800 0.052 0.000 2.211 237 G HA2 -0.215 3.726 3.960 -0.031 0.000 0.201 237 G HA3 -0.215 3.726 3.960 -0.031 0.000 0.201 237 G C 0.130 175.011 174.900 -0.031 0.000 0.997 237 G CA -0.584 44.503 45.100 -0.022 0.000 0.652 237 G HN 0.116 nan 8.290 nan 0.000 0.500 238 F N 1.128 121.120 119.950 0.069 0.000 2.408 238 F HA 0.665 5.173 4.527 -0.031 0.000 0.303 238 F C 1.470 177.333 175.800 0.104 0.000 1.268 238 F CA 0.005 58.064 58.000 0.098 0.000 1.218 238 F CB 0.486 39.538 39.000 0.087 0.000 1.283 238 F HN -0.159 nan 8.300 nan 0.000 0.545 239 R N 0.774 121.512 120.500 0.398 0.000 2.473 239 R HA 0.487 4.808 4.340 -0.031 0.000 0.303 239 R C -1.050 175.422 176.300 0.286 0.000 1.002 239 R CA -0.886 55.375 56.100 0.268 0.000 0.884 239 R CB 1.526 31.942 30.300 0.194 0.000 1.173 239 R HN 0.654 nan 8.270 nan 0.000 0.464 240 A N 1.978 124.909 122.820 0.185 0.000 2.522 240 A HA -0.043 4.258 4.320 -0.031 0.000 0.256 240 A C 0.798 178.480 177.584 0.164 0.000 1.086 240 A CA 0.174 52.287 52.037 0.126 0.000 0.763 240 A CB 0.060 19.099 19.000 0.065 0.000 1.024 240 A HN 0.760 nan 8.150 nan 0.000 0.502 241 D N 0.940 121.445 120.400 0.174 0.000 2.414 241 D HA 0.085 4.706 4.640 -0.031 0.000 0.237 241 D C -0.168 176.192 176.300 0.101 0.000 0.975 241 D CA 1.262 55.385 54.000 0.205 0.000 0.917 241 D CB 0.313 41.265 40.800 0.253 0.000 1.061 241 D HN 0.576 nan 8.370 nan 0.000 0.480 242 D N -1.203 119.224 120.400 0.045 0.000 2.769 242 D HA 0.390 5.012 4.640 -0.031 0.000 0.219 242 D C -1.509 174.781 176.300 -0.017 0.000 1.245 242 D CA -0.461 53.550 54.000 0.019 0.000 0.801 242 D CB 1.344 42.159 40.800 0.026 0.000 1.598 242 D HN 0.048 nan 8.370 nan 0.000 0.485 243 I N 2.484 123.042 120.570 -0.020 0.000 2.571 243 I HA 0.337 4.489 4.170 -0.031 0.000 0.289 243 I C -0.823 175.271 176.117 -0.039 0.000 1.115 243 I CA -0.567 60.708 61.300 -0.042 0.000 1.045 243 I CB 2.047 40.022 38.000 -0.042 0.000 1.238 243 I HN 0.241 nan 8.210 nan 0.000 0.424 244 Q N 5.826 125.592 119.800 -0.057 0.000 2.379 244 Q HA 0.673 4.994 4.340 -0.031 0.000 0.278 244 Q C -1.389 174.570 176.000 -0.067 0.000 1.068 244 Q CA -0.821 54.951 55.803 -0.051 0.000 0.816 244 Q CB 3.842 32.554 28.738 -0.044 0.000 1.387 244 Q HN 0.525 nan 8.270 nan 0.000 0.413 245 I N 1.684 122.224 120.570 -0.050 0.000 2.436 245 I HA 0.533 4.684 4.170 -0.031 0.000 0.289 245 I C -0.533 175.562 176.117 -0.038 0.000 1.010 245 I CA -0.396 60.873 61.300 -0.052 0.000 1.098 245 I CB 1.628 39.603 38.000 -0.042 0.000 1.266 245 I HN 0.375 nan 8.210 nan 0.000 0.434 246 R N 2.856 123.331 120.500 -0.041 0.000 2.799 246 R HA 0.293 4.615 4.340 -0.031 0.000 0.270 246 R C -1.246 175.046 176.300 -0.012 0.000 1.010 246 R CA -1.018 55.071 56.100 -0.018 0.000 0.916 246 R CB 1.786 32.083 30.300 -0.005 0.000 1.228 246 R HN 0.509 nan 8.270 nan 0.000 0.469 247 D N 0.992 121.392 120.400 0.001 0.000 2.371 247 D HA 0.054 4.676 4.640 -0.031 0.000 0.256 247 D C 0.579 176.889 176.300 0.016 0.000 1.193 247 D CA 0.227 54.229 54.000 0.004 0.000 0.881 247 D CB 1.680 42.482 40.800 0.004 0.000 1.143 247 D HN 0.635 nan 8.370 nan 0.000 0.473 248 A N 4.423 127.253 122.820 0.016 0.000 2.070 248 A HA -0.160 4.141 4.320 -0.031 0.000 0.220 248 A C 1.560 179.167 177.584 0.038 0.000 1.159 248 A CA 1.142 53.200 52.037 0.035 0.000 0.656 248 A CB 0.076 19.094 19.000 0.029 0.000 0.800 248 A HN 0.625 nan 8.150 nan 0.000 0.453 249 D N -1.172 119.240 120.400 0.019 0.000 2.262 249 D HA -0.051 4.570 4.640 -0.031 0.000 0.212 249 D C 2.075 178.373 176.300 -0.003 0.000 0.964 249 D CA 1.872 55.876 54.000 0.007 0.000 0.875 249 D CB -0.292 40.510 40.800 0.004 0.000 0.996 249 D HN 0.607 nan 8.370 nan 0.000 0.497 250 T N -1.629 112.926 114.554 0.002 0.000 3.037 250 T HA 0.153 4.484 4.350 -0.031 0.000 0.251 250 T C 1.542 176.241 174.700 -0.001 0.000 1.079 250 T CA -0.064 62.032 62.100 -0.006 0.000 1.067 250 T CB 0.292 69.159 68.868 -0.003 0.000 0.948 250 T HN 0.136 nan 8.240 nan 0.000 0.496 251 L N -0.529 120.708 121.223 0.022 0.000 4.884 251 L HA -0.165 4.156 4.340 -0.031 0.000 0.430 251 L C 0.464 177.355 176.870 0.034 0.000 1.087 251 L CA 0.246 55.116 54.840 0.049 0.000 1.033 251 L CB -2.004 40.088 42.059 0.055 0.000 2.030 251 L HN 0.398 nan 8.230 nan 0.000 0.762 252 L N -0.483 120.750 121.223 0.017 0.000 2.770 252 L HA 0.344 4.665 4.340 -0.031 0.000 0.229 252 L C 0.959 177.834 176.870 0.009 0.000 1.173 252 L CA -0.536 54.312 54.840 0.013 0.000 0.871 252 L CB 0.422 42.485 42.059 0.007 0.000 1.682 252 L HN -0.033 nan 8.230 nan 0.000 0.523 253 E N 0.331 120.534 120.200 0.006 0.000 2.354 253 E HA 0.167 4.499 4.350 -0.031 0.000 0.269 253 E C -0.766 175.834 176.600 -0.000 0.000 1.036 253 E CA -0.616 55.785 56.400 0.002 0.000 0.876 253 E CB 0.919 30.620 29.700 0.002 0.000 1.009 253 E HN 0.128 nan 8.360 nan 0.000 0.416 254 L N 3.277 124.498 121.223 -0.004 0.000 2.559 254 L HA 0.036 4.357 4.340 -0.031 0.000 0.282 254 L C 0.437 177.305 176.870 -0.003 0.000 1.232 254 L CA 1.075 55.912 54.840 -0.005 0.000 0.885 254 L CB 0.129 42.183 42.059 -0.008 0.000 1.131 254 L HN 0.734 nan 8.230 nan 0.000 0.498 255 T N -0.491 114.061 114.554 -0.002 0.000 2.888 255 T HA 0.372 4.704 4.350 -0.031 0.000 0.288 255 T C 0.805 175.503 174.700 -0.002 0.000 1.063 255 T CA -0.751 61.348 62.100 -0.002 0.000 1.010 255 T CB 0.940 69.808 68.868 -0.001 0.000 1.214 255 T HN 0.582 nan 8.240 nan 0.000 0.533 256 E N 0.023 120.222 120.200 -0.002 0.000 2.284 256 E HA -0.150 4.181 4.350 -0.031 0.000 0.200 256 E C 1.306 177.906 176.600 -0.002 0.000 1.008 256 E CA 1.532 57.931 56.400 -0.002 0.000 0.829 256 E CB -0.225 29.474 29.700 -0.001 0.000 0.744 256 E HN 0.669 nan 8.360 nan 0.000 0.491 257 T N 0.333 114.887 114.554 -0.001 0.000 3.023 257 T HA 0.043 4.374 4.350 -0.031 0.000 0.253 257 T C 0.384 175.084 174.700 -0.000 0.000 1.038 257 T CA -0.126 61.974 62.100 -0.000 0.000 0.962 257 T CB 0.353 69.221 68.868 -0.000 0.000 1.018 257 T HN 0.018 nan 8.240 nan 0.000 0.521 258 S N 1.662 117.362 115.700 -0.001 0.000 2.560 258 S HA 0.174 4.626 4.470 -0.031 0.000 0.284 258 S C 0.917 175.517 174.600 0.000 0.000 1.327 258 S CA -0.139 58.061 58.200 -0.000 0.000 1.055 258 S CB 1.208 64.407 63.200 -0.001 0.000 0.868 258 S HN 0.351 nan 8.310 nan 0.000 0.506 259 K N 0.968 121.369 120.400 0.002 0.000 2.365 259 K HA 0.177 4.478 4.320 -0.031 0.000 0.195 259 K C 0.227 176.829 176.600 0.003 0.000 1.079 259 K CA 0.425 56.714 56.287 0.003 0.000 0.979 259 K CB 0.371 32.874 32.500 0.005 0.000 0.929 259 K HN 0.450 nan 8.250 nan 0.000 0.523 260 R N 0.094 120.596 120.500 0.004 0.000 2.686 260 R HA 0.560 4.881 4.340 -0.031 0.000 0.283 260 R C -1.417 174.883 176.300 -0.000 0.000 0.978 260 R CA -0.636 55.466 56.100 0.004 0.000 0.897 260 R CB 2.182 32.488 30.300 0.011 0.000 1.192 260 R HN -0.013 nan 8.270 nan 0.000 0.457 261 A N 1.759 124.575 122.820 -0.007 0.000 2.355 261 A HA 0.663 4.965 4.320 -0.031 0.000 0.324 261 A C -1.117 176.453 177.584 -0.024 0.000 1.117 261 A CA -0.720 51.307 52.037 -0.016 0.000 0.785 261 A CB 1.944 20.930 19.000 -0.023 0.000 1.254 261 A HN 0.420 nan 8.150 nan 0.000 0.453 262 V N 3.302 123.191 119.914 -0.041 0.000 2.555 262 V HA 0.608 4.710 4.120 -0.031 0.000 0.302 262 V C -0.861 175.155 176.094 -0.129 0.000 1.038 262 V CA -0.678 61.572 62.300 -0.084 0.000 0.887 262 V CB 1.278 33.041 31.823 -0.101 0.000 0.991 262 V HN 0.682 nan 8.190 nan 0.000 0.434 263 I N 7.641 128.126 120.570 -0.142 0.000 2.355 263 I HA 0.414 4.565 4.170 -0.031 0.000 0.288 263 I C -0.682 175.315 176.117 -0.199 0.000 0.999 263 I CA -0.392 60.823 61.300 -0.141 0.000 1.163 263 I CB 1.379 39.318 38.000 -0.101 0.000 1.316 263 I HN 0.366 nan 8.210 nan 0.000 0.454 264 L N 6.549 127.639 121.223 -0.221 0.000 2.296 264 L HA 0.863 5.185 4.340 -0.031 0.000 0.286 264 L C -0.026 176.756 176.870 -0.147 0.000 1.023 264 L CA -0.457 54.233 54.840 -0.250 0.000 0.812 264 L CB 1.623 43.493 42.059 -0.315 0.000 1.223 264 L HN 0.667 nan 8.230 nan 0.000 0.421 265 A N 2.762 125.507 122.820 -0.124 0.000 2.515 265 A HA 0.965 5.267 4.320 -0.031 0.000 0.298 265 A C -1.146 176.376 177.584 -0.103 0.000 1.059 265 A CA -0.452 51.522 52.037 -0.105 0.000 0.698 265 A CB 1.988 20.918 19.000 -0.116 0.000 1.289 265 A HN 0.778 nan 8.150 nan 0.000 0.404 266 A N 0.401 123.162 122.820 -0.098 0.000 2.455 266 A HA 0.986 5.287 4.320 -0.031 0.000 0.300 266 A C -0.434 177.085 177.584 -0.109 0.000 1.040 266 A CA 0.095 52.062 52.037 -0.117 0.000 0.697 266 A CB 1.367 20.310 19.000 -0.094 0.000 1.265 266 A HN 2.638 nan 8.150 nan 0.000 0.407 267 A N 0.797 123.528 122.820 -0.148 0.000 2.604 267 A HA 0.717 5.018 4.320 -0.031 0.000 0.295 267 A C -1.815 175.815 177.584 0.077 0.000 1.067 267 A CA -0.523 51.505 52.037 -0.015 0.000 0.683 267 A CB 0.645 19.559 19.000 -0.143 0.000 1.281 267 A HN 0.950 nan 8.150 nan 0.000 0.407 268 W N 0.210 121.632 121.300 0.204 0.000 2.448 268 W HA 0.675 5.317 4.660 -0.030 0.000 0.339 268 W C -0.454 176.227 176.519 0.270 0.000 1.124 268 W CA -0.325 57.142 57.345 0.203 0.000 1.262 268 W CB 1.616 31.142 29.460 0.110 0.000 1.251 268 W HN 0.443 nan 8.180 nan 0.000 0.597 269 L N 3.258 124.746 121.223 0.442 0.000 2.457 269 L HA 0.565 4.887 4.340 -0.031 0.000 0.266 269 L C 0.660 177.701 176.870 0.285 0.000 0.979 269 L CA 0.401 55.368 54.840 0.212 0.000 0.857 269 L CB 0.677 42.784 42.059 0.081 0.000 1.213 269 L HN 0.764 nan 8.230 nan 0.000 0.418 270 G N 3.912 112.848 108.800 0.226 0.000 2.660 270 G HA2 -0.411 3.530 3.960 -0.031 0.000 0.321 270 G HA3 -0.411 3.530 3.960 -0.031 0.000 0.321 270 G C 0.470 175.546 174.900 0.293 0.000 1.246 270 G CA 0.797 46.057 45.100 0.266 0.000 1.000 270 G HN 0.536 nan 8.290 nan 0.000 0.550 271 Q N 1.297 121.255 119.800 0.263 0.000 2.220 271 Q HA 0.673 4.995 4.340 -0.031 0.000 0.205 271 Q C 0.796 176.834 176.000 0.063 0.000 0.865 271 Q CA 0.896 56.712 55.803 0.021 0.000 0.960 271 Q CB 0.631 29.195 28.738 -0.290 0.000 1.097 271 Q HN 0.991 nan 8.270 nan 0.000 0.493 272 A N 0.671 123.619 122.820 0.212 0.000 2.318 272 A HA 0.651 4.952 4.320 -0.031 0.000 0.324 272 A C -0.706 176.836 177.584 -0.071 0.000 1.170 272 A CA -0.692 51.396 52.037 0.086 0.000 0.810 272 A CB 0.668 19.804 19.000 0.226 0.000 1.198 272 A HN 0.230 nan 8.150 nan 0.000 0.484 273 R N 3.805 123.957 120.500 -0.580 0.000 2.346 273 R HA 0.498 4.819 4.340 -0.031 0.000 0.309 273 R C -1.347 174.662 176.300 -0.485 0.000 1.119 273 R CA -0.360 55.102 56.100 -1.064 0.000 1.112 273 R CB -0.182 28.987 30.300 -1.885 0.000 1.132 273 R HN 0.697 nan 8.270 nan 0.000 0.538 274 L N 5.931 127.012 121.223 -0.236 0.000 2.380 274 L HA 0.366 4.688 4.340 -0.031 0.000 0.273 274 L C 0.540 177.325 176.870 -0.142 0.000 1.138 274 L CA -0.556 54.218 54.840 -0.110 0.000 0.832 274 L CB 0.917 42.997 42.059 0.034 0.000 1.124 274 L HN 0.553 nan 8.230 nan 0.000 0.454 275 I N -0.217 120.291 120.570 -0.103 0.000 2.646 275 I HA 0.685 4.836 4.170 -0.031 0.000 0.299 275 I C -1.505 174.585 176.117 -0.044 0.000 1.036 275 I CA -0.244 61.007 61.300 -0.081 0.000 1.074 275 I CB 2.281 40.245 38.000 -0.059 0.000 1.258 275 I HN 0.569 nan 8.210 nan 0.000 0.430 276 D N 3.154 123.529 120.400 -0.041 0.000 2.615 276 D HA 0.568 5.189 4.640 -0.031 0.000 0.267 276 D C -1.712 174.566 176.300 -0.036 0.000 1.236 276 D CA -0.152 53.839 54.000 -0.015 0.000 0.839 276 D CB 2.624 43.435 40.800 0.018 0.000 1.380 276 D HN 0.935 nan 8.370 nan 0.000 0.433 277 N N -0.214 118.477 118.700 -0.014 0.000 2.823 277 N HA 0.454 5.175 4.740 -0.031 0.000 0.251 277 N C -1.839 173.672 175.510 0.000 0.000 1.392 277 N CA -0.767 52.239 53.050 -0.075 0.000 0.864 277 N CB 1.944 40.303 38.487 -0.214 0.000 1.481 277 N HN 0.264 nan 8.380 nan 0.000 0.508 278 Q N 0.521 120.299 119.800 -0.036 0.000 2.327 278 Q HA 0.485 4.806 4.340 -0.031 0.000 0.265 278 Q C -1.710 174.279 176.000 -0.018 0.000 0.993 278 Q CA -0.548 55.265 55.803 0.017 0.000 0.885 278 Q CB 1.811 30.576 28.738 0.045 0.000 1.379 278 Q HN 0.762 nan 8.270 nan 0.000 0.408 279 S N 1.276 116.983 115.700 0.012 0.000 2.537 279 S HA 0.813 5.265 4.470 -0.031 0.000 0.301 279 S C -1.227 173.379 174.600 0.009 0.000 1.092 279 S CA -0.534 57.671 58.200 0.008 0.000 1.048 279 S CB 1.909 65.127 63.200 0.031 0.000 1.053 279 S HN 0.425 nan 8.310 nan 0.000 0.501 280 V N 1.858 121.773 119.914 0.001 0.000 3.048 280 V HA 0.465 4.567 4.120 -0.031 0.000 0.303 280 V C -0.995 175.099 176.094 -0.000 0.000 1.214 280 V CA -0.561 61.738 62.300 -0.002 0.000 0.984 280 V CB 2.781 34.594 31.823 -0.016 0.000 1.054 280 V HN 0.922 nan 8.190 nan 0.000 0.430 281 T N 6.388 120.943 114.554 0.002 0.000 2.749 281 T HA 0.479 4.811 4.350 -0.031 0.000 0.287 281 T C 0.840 175.539 174.700 -0.001 0.000 0.970 281 T CA -0.214 61.888 62.100 0.003 0.000 0.980 281 T CB 0.985 69.857 68.868 0.007 0.000 0.924 281 T HN 0.492 nan 8.240 nan 0.000 0.456 282 L N 1.447 122.669 121.223 -0.002 0.000 2.515 282 L HA 0.555 4.877 4.340 -0.031 0.000 0.223 282 L C 1.150 178.019 176.870 -0.002 0.000 1.079 282 L CA -0.015 54.822 54.840 -0.004 0.000 0.857 282 L CB -0.034 42.021 42.059 -0.006 0.000 1.050 282 L HN 0.660 nan 8.230 nan 0.000 0.476 283 A N -1.091 121.729 122.820 -0.000 0.000 2.529 283 A HA 0.731 5.032 4.320 -0.031 0.000 0.296 283 A C -1.412 176.174 177.584 0.003 0.000 1.205 283 A CA -0.585 51.453 52.037 0.001 0.000 0.671 283 A CB 1.568 20.569 19.000 0.000 0.000 1.301 283 A HN -0.056 nan 8.150 nan 0.000 0.450 284 Q N 0.000 119.802 119.800 0.003 0.000 2.315 284 Q HA 0.000 4.321 4.340 -0.031 0.000 0.214 284 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 284 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 284 Q HN 0.000 nan 8.270 nan 0.000 0.481