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 2nmv_1_A DATA FIRST_RESID 3 DATA SEQUENCE DRFELVXKYQ PQGDQPKAIE KLVKGIQEGK KHQTLLGATG TGKTFTVSNL DATA SEQUENCE IKEVNKPTLV IAHNKTLAGQ LYSEFKEFFP NNAVEYFVSY YDYYQPEAYV DATA SEQUENCE PQTDTFIEKD ASINDEIDKL RHSATSALFE RRDVIIIASV SCIYGLGSPE DATA SEQUENCE EYREMVVSLR TEMEIERNEL LRKLVDIQYA RNDIDFQRGT FRVRGDVVEI DATA SEQUENCE FPASRDEHCV RVEFFGDEIE RIREVDALTG EILGDRDHVA IFPASHFVTR DATA SEQUENCE AEKMEKAIQN IEKELEEQLK VMHENGKLLE AQRLEQRTRY DLEMMREMGF DATA SEQUENCE CSGIENYSRH LTLRPPGSTP YTLLDYFPDD FMIVVDESHV TIPQVRGMFN DATA SEQUENCE GDQARKQVLV DHGFRLPSAL DNRPLRFEEF EKHMHNIVYV SATPGPYEIE DATA SEQUENCE HTDEMVEQII RPTGLLDPLI DVRPIEGQID DLIGEIQARI ERNERVLVTT DATA SEQUENCE LTKKMSEDLT DYLKEIGIKV NYLHSEIKTL ERIEIIRDLR LGKYDVLVGI DATA SEQUENCE NLLREGLDIP EVSLVAILDA DKEGFLRSER SLIQTIGRAA RNAEGRVIMY DATA SEQUENCE ADKITKSMEI AINETKRRRE QQERFNEEHG ITPKTINXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXKK ERQKVVEQME HEMKEAAKAL DFERAAELRD DATA SEQUENCE LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.210 176.300 -0.151 0.000 2.045 3 D CA 0.000 53.942 54.000 -0.097 0.000 0.868 3 D CB 0.000 40.732 40.800 -0.114 0.000 0.688 4 R N 0.083 120.534 120.500 -0.081 0.000 2.873 4 R HA 0.363 4.722 4.340 0.032 0.000 0.267 4 R C 0.089 176.329 176.300 -0.100 0.000 1.009 4 R CA 0.456 56.527 56.100 -0.048 0.000 1.152 4 R CB -0.473 29.845 30.300 0.030 0.000 1.047 4 R HN 0.109 nan 8.270 nan 0.000 0.470 5 F N 0.160 120.118 119.950 0.014 0.000 2.394 5 F HA 0.268 4.814 4.527 0.031 0.000 0.340 5 F C 1.144 177.032 175.800 0.146 0.000 1.105 5 F CA 0.116 58.127 58.000 0.018 0.000 1.124 5 F CB 1.880 40.806 39.000 -0.122 0.000 1.145 5 F HN 0.709 nan 8.300 nan 0.000 0.505 6 E N 5.076 125.553 120.200 0.461 0.000 2.183 6 E HA 0.234 4.603 4.350 0.032 0.000 0.250 6 E C -1.521 175.353 176.600 0.456 0.000 0.901 6 E CA -0.980 55.633 56.400 0.356 0.000 0.741 6 E CB 0.940 30.778 29.700 0.230 0.000 1.182 6 E HN 0.509 nan 8.360 nan 0.000 0.425 7 L N 5.287 126.746 121.223 0.393 0.000 2.360 7 L HA 0.290 4.650 4.340 0.032 0.000 0.276 7 L C -1.107 175.808 176.870 0.075 0.000 1.121 7 L CA 0.290 55.221 54.840 0.152 0.000 0.845 7 L CB 1.117 43.248 42.059 0.120 0.000 1.143 7 L HN 0.360 nan 8.230 nan 0.000 0.452 11 Y N 2.617 122.806 120.300 -0.185 0.000 2.344 11 Y HA 0.298 4.867 4.550 0.031 0.000 0.330 11 Y C 0.800 176.663 175.900 -0.062 0.000 1.330 11 Y CA -0.826 57.112 58.100 -0.270 0.000 1.479 11 Y CB 0.639 38.642 38.460 -0.760 0.000 1.428 11 Y HN -0.098 nan 8.280 nan 0.000 0.544 12 Q N -0.422 119.495 119.800 0.195 0.000 2.271 12 Q HA 0.434 4.794 4.340 0.032 0.000 0.268 12 Q C -3.169 173.001 176.000 0.283 0.000 1.021 12 Q CA -2.673 53.284 55.803 0.255 0.000 0.802 12 Q CB 1.909 30.742 28.738 0.158 0.000 1.282 12 Q HN 0.189 nan 8.270 nan 0.000 0.431 13 P HA -0.172 nan 4.420 nan 0.000 0.255 13 P C -0.823 176.573 177.300 0.161 0.000 1.151 13 P CA 0.987 64.260 63.100 0.288 0.000 0.767 13 P CB 0.351 32.154 31.700 0.172 0.000 0.736 14 Q N 2.034 121.904 119.800 0.116 0.000 2.486 14 Q HA 0.580 4.939 4.340 0.032 0.000 0.274 14 Q C 1.132 177.142 176.000 0.017 0.000 1.076 14 Q CA -0.351 55.496 55.803 0.073 0.000 0.872 14 Q CB 1.147 29.907 28.738 0.035 0.000 1.383 14 Q HN 0.549 nan 8.270 nan 0.000 0.478 15 G N 2.015 110.811 108.800 -0.007 0.000 2.614 15 G HA2 -0.357 3.622 3.960 0.032 0.000 0.303 15 G HA3 -0.357 3.622 3.960 0.032 0.000 0.303 15 G C -0.012 174.740 174.900 -0.247 0.000 1.270 15 G CA 0.821 45.739 45.100 -0.303 0.000 0.988 15 G HN 0.844 nan 8.290 nan 0.000 0.551 16 D N 0.074 120.304 120.400 -0.285 0.000 2.388 16 D HA 0.202 4.861 4.640 0.032 0.000 0.221 16 D C 1.757 178.011 176.300 -0.076 0.000 1.133 16 D CA 0.709 54.615 54.000 -0.157 0.000 0.831 16 D CB 0.141 40.835 40.800 -0.176 0.000 0.962 16 D HN 0.663 nan 8.370 nan 0.000 0.502 17 Q N 0.077 119.848 119.800 -0.049 0.000 2.061 17 Q HA -0.078 4.281 4.340 0.032 0.000 0.204 17 Q C -0.565 175.432 176.000 -0.005 0.000 0.984 17 Q CA 1.712 57.511 55.803 -0.006 0.000 0.846 17 Q CB -0.763 28.009 28.738 0.056 0.000 0.902 17 Q HN 0.317 nan 8.270 nan 0.000 0.421 18 P HA -0.206 nan 4.420 nan 0.000 0.216 18 P C 0.861 178.163 177.300 0.004 0.000 1.153 18 P CA 1.344 64.453 63.100 0.016 0.000 0.858 18 P CB 0.056 31.781 31.700 0.041 0.000 0.789 19 K N -0.007 120.395 120.400 0.002 0.000 2.103 19 K HA 0.011 4.350 4.320 0.032 0.000 0.204 19 K C 1.878 178.472 176.600 -0.010 0.000 1.052 19 K CA 1.596 57.883 56.287 0.000 0.000 0.945 19 K CB -1.260 31.241 32.500 0.002 0.000 0.722 19 K HN -0.055 nan 8.250 nan 0.000 0.443 20 A N 0.850 123.658 122.820 -0.019 0.000 1.845 20 A HA -0.103 4.237 4.320 0.032 0.000 0.215 20 A C 2.289 179.857 177.584 -0.026 0.000 1.195 20 A CA 1.799 53.823 52.037 -0.021 0.000 0.616 20 A CB -0.812 18.174 19.000 -0.023 0.000 0.832 20 A HN 0.293 nan 8.150 nan 0.000 0.443 21 I N -0.230 120.317 120.570 -0.039 0.000 2.185 21 I HA -0.344 3.846 4.170 0.032 0.000 0.246 21 I C 2.567 178.663 176.117 -0.034 0.000 1.088 21 I CA 2.030 63.299 61.300 -0.051 0.000 1.347 21 I CB -0.346 37.611 38.000 -0.072 0.000 1.041 21 I HN 0.538 nan 8.210 nan 0.000 0.415 22 E N 1.219 121.407 120.200 -0.020 0.000 2.031 22 E HA -0.277 4.093 4.350 0.032 0.000 0.193 22 E C 2.187 178.780 176.600 -0.012 0.000 0.994 22 E CA 1.532 57.925 56.400 -0.011 0.000 0.800 22 E CB 0.059 29.758 29.700 -0.001 0.000 0.752 22 E HN 0.429 nan 8.360 nan 0.000 0.447 23 K N 0.202 120.595 120.400 -0.011 0.000 2.097 23 K HA -0.114 4.225 4.320 0.032 0.000 0.206 23 K C 2.260 178.852 176.600 -0.014 0.000 1.049 23 K CA 1.046 57.328 56.287 -0.009 0.000 0.933 23 K CB -0.082 32.415 32.500 -0.005 0.000 0.717 23 K HN 0.164 nan 8.250 nan 0.000 0.442 24 L N 0.226 121.437 121.223 -0.020 0.000 1.994 24 L HA -0.203 4.156 4.340 0.032 0.000 0.208 24 L C 2.301 179.150 176.870 -0.034 0.000 1.071 24 L CA 1.032 55.856 54.840 -0.027 0.000 0.745 24 L CB -0.579 41.459 42.059 -0.034 0.000 0.892 24 L HN 0.001 nan 8.230 nan 0.000 0.431 25 V N 0.028 119.922 119.914 -0.033 0.000 2.255 25 V HA -0.335 3.805 4.120 0.032 0.000 0.247 25 V C 2.539 178.618 176.094 -0.024 0.000 1.051 25 V CA 1.870 64.153 62.300 -0.030 0.000 1.018 25 V CB -0.589 31.219 31.823 -0.024 0.000 0.641 25 V HN 0.413 nan 8.190 nan 0.000 0.445 26 K N 0.028 120.418 120.400 -0.018 0.000 2.044 26 K HA -0.193 4.147 4.320 0.032 0.000 0.210 26 K C 2.266 178.853 176.600 -0.020 0.000 1.049 26 K CA 1.648 57.926 56.287 -0.015 0.000 0.927 26 K CB -0.837 31.658 32.500 -0.010 0.000 0.713 26 K HN 0.582 nan 8.250 nan 0.000 0.443 27 G N 1.581 110.367 108.800 -0.023 0.000 2.476 27 G HA2 -0.273 3.707 3.960 0.032 0.000 0.218 27 G HA3 -0.273 3.707 3.960 0.032 0.000 0.218 27 G C 1.453 176.325 174.900 -0.046 0.000 1.164 27 G CA 1.049 46.132 45.100 -0.028 0.000 0.768 27 G HN 0.123 nan 8.290 nan 0.000 0.560 28 I N 0.666 121.203 120.570 -0.054 0.000 2.286 28 I HA -0.146 4.043 4.170 0.032 0.000 0.248 28 I C 2.969 179.053 176.117 -0.055 0.000 1.115 28 I CA 1.218 62.476 61.300 -0.071 0.000 1.392 28 I CB -0.286 37.674 38.000 -0.065 0.000 1.065 28 I HN 0.246 nan 8.210 nan 0.000 0.418 29 Q N -0.049 119.730 119.800 -0.035 0.000 2.119 29 Q HA -0.190 4.170 4.340 0.032 0.000 0.201 29 Q C 1.814 177.798 176.000 -0.027 0.000 0.972 29 Q CA 1.210 56.999 55.803 -0.023 0.000 0.847 29 Q CB -0.164 28.567 28.738 -0.012 0.000 0.903 29 Q HN 0.551 nan 8.270 nan 0.000 0.433 30 E N -0.397 119.785 120.200 -0.030 0.000 2.515 30 E HA -0.048 4.321 4.350 0.032 0.000 0.201 30 E C 0.743 177.316 176.600 -0.045 0.000 1.071 30 E CA 0.298 56.680 56.400 -0.030 0.000 0.880 30 E CB -0.019 29.667 29.700 -0.024 0.000 0.828 30 E HN 0.531 nan 8.360 nan 0.000 0.540 31 G N 2.355 111.115 108.800 -0.067 0.000 2.153 31 G HA2 -0.345 3.635 3.960 0.032 0.000 0.252 31 G HA3 -0.345 3.635 3.960 0.032 0.000 0.252 31 G C -0.018 174.810 174.900 -0.121 0.000 0.994 31 G CA 0.205 45.239 45.100 -0.109 0.000 0.698 31 G HN 0.206 nan 8.290 nan 0.000 0.521 32 K N -0.046 120.301 120.400 -0.088 0.000 2.511 32 K HA 0.105 4.444 4.320 0.032 0.000 0.280 32 K C 1.438 177.959 176.600 -0.133 0.000 1.008 32 K CA 0.728 56.973 56.287 -0.071 0.000 1.050 32 K CB 0.844 33.325 32.500 -0.031 0.000 0.889 32 K HN 0.355 nan 8.250 nan 0.000 0.484 33 K N 2.685 123.007 120.400 -0.130 0.000 2.076 33 K HA -0.053 4.286 4.320 0.032 0.000 0.204 33 K C 0.086 176.438 176.600 -0.412 0.000 1.051 33 K CA 0.873 56.981 56.287 -0.298 0.000 0.949 33 K CB 0.305 32.639 32.500 -0.277 0.000 0.726 33 K HN 0.576 nan 8.250 nan 0.000 0.443 34 H N 1.128 120.195 119.070 -0.007 0.000 2.587 34 H HA 0.284 4.856 4.556 0.027 0.000 0.325 34 H C -0.687 174.694 175.328 0.089 0.000 1.012 34 H CA -0.570 55.530 56.048 0.088 0.000 1.213 34 H CB 1.509 31.428 29.762 0.262 0.000 1.431 34 H HN 0.215 nan 8.280 nan 0.000 0.492 35 Q N 1.307 121.191 119.800 0.140 0.000 2.458 35 Q HA 0.510 4.869 4.340 0.032 0.000 0.282 35 Q C -0.705 175.442 176.000 0.244 0.000 1.106 35 Q CA -1.054 54.837 55.803 0.146 0.000 0.814 35 Q CB 2.794 31.555 28.738 0.038 0.000 1.425 35 Q HN 0.471 nan 8.270 nan 0.000 0.437 36 T N 1.580 116.258 114.554 0.208 0.000 2.881 36 T HA 0.358 4.727 4.350 0.032 0.000 0.291 36 T C -1.315 173.461 174.700 0.127 0.000 0.990 36 T CA -0.584 61.656 62.100 0.234 0.000 0.976 36 T CB 0.907 69.904 68.868 0.216 0.000 0.970 36 T HN 0.354 nan 8.240 nan 0.000 0.438 37 L N 4.591 125.885 121.223 0.119 0.000 2.270 37 L HA 0.498 4.857 4.340 0.032 0.000 0.286 37 L C -0.259 176.659 176.870 0.079 0.000 1.059 37 L CA -0.442 54.443 54.840 0.074 0.000 0.839 37 L CB 0.270 42.364 42.059 0.060 0.000 1.221 37 L HN 0.698 nan 8.230 nan 0.000 0.431 38 L N 5.934 127.190 121.223 0.054 0.000 2.391 38 L HA 0.370 4.730 4.340 0.032 0.000 0.249 38 L C 0.552 177.436 176.870 0.024 0.000 1.308 38 L CA -0.281 54.583 54.840 0.040 0.000 1.209 38 L CB -0.379 41.693 42.059 0.021 0.000 1.401 38 L HN 0.879 nan 8.230 nan 0.000 0.416 39 G N 2.414 111.236 108.800 0.037 0.000 2.320 39 G HA2 0.478 4.457 3.960 0.032 0.000 0.300 39 G HA3 0.478 4.457 3.960 0.032 0.000 0.300 39 G C 0.279 175.189 174.900 0.017 0.000 1.126 39 G CA -0.183 44.932 45.100 0.024 0.000 0.896 39 G HN 0.707 nan 8.290 nan 0.000 0.436 40 A N 2.864 125.682 122.820 -0.003 0.000 2.507 40 A HA 0.479 4.818 4.320 0.032 0.000 0.235 40 A C 1.185 178.772 177.584 0.004 0.000 1.070 40 A CA 0.473 52.505 52.037 -0.008 0.000 0.768 40 A CB 0.154 19.140 19.000 -0.023 0.000 1.011 40 A HN 1.007 nan 8.150 nan 0.000 0.502 41 T N 0.345 114.905 114.554 0.009 0.000 2.906 41 T HA 0.394 4.763 4.350 0.032 0.000 0.320 41 T C 1.503 176.209 174.700 0.011 0.000 1.088 41 T CA 1.498 63.612 62.100 0.023 0.000 1.120 41 T CB -0.096 68.788 68.868 0.026 0.000 1.000 41 T HN 2.423 nan 8.240 nan 0.000 0.550 42 G N 2.664 111.475 108.800 0.018 0.000 2.166 42 G HA2 -0.325 3.654 3.960 0.032 0.000 0.260 42 G HA3 -0.325 3.654 3.960 0.032 0.000 0.260 42 G C 0.858 175.748 174.900 -0.016 0.000 0.986 42 G CA 1.307 46.408 45.100 0.001 0.000 0.683 42 G HN 1.483 nan 8.290 nan 0.000 0.527 43 T N -2.012 112.537 114.554 -0.009 0.000 3.148 43 T HA 0.431 4.801 4.350 0.032 0.000 0.253 43 T C 1.925 176.617 174.700 -0.013 0.000 1.134 43 T CA 1.104 63.189 62.100 -0.026 0.000 1.051 43 T CB 0.200 69.049 68.868 -0.031 0.000 0.959 43 T HN 2.199 nan 8.240 nan 0.000 0.525 44 G N 1.486 110.292 108.800 0.009 0.000 2.341 44 G HA2 -0.243 3.736 3.960 0.032 0.000 0.278 44 G HA3 -0.243 3.736 3.960 0.032 0.000 0.278 44 G C 0.454 175.421 174.900 0.112 0.000 1.111 44 G CA 0.235 45.366 45.100 0.052 0.000 0.982 44 G HN 0.511 nan 8.290 nan 0.000 0.502 45 K N -0.269 120.189 120.400 0.097 0.000 2.057 45 K HA -0.016 4.323 4.320 0.032 0.000 0.206 45 K C 2.925 179.602 176.600 0.128 0.000 1.050 45 K CA 2.033 58.380 56.287 0.100 0.000 0.935 45 K CB -0.220 32.341 32.500 0.103 0.000 0.715 45 K HN 0.648 nan 8.250 nan 0.000 0.439 46 T N -1.217 113.435 114.554 0.164 0.000 2.962 46 T HA -0.129 4.241 4.350 0.032 0.000 0.270 46 T C 1.705 176.442 174.700 0.063 0.000 1.088 46 T CA 0.720 62.921 62.100 0.168 0.000 1.127 46 T CB -0.310 68.662 68.868 0.173 0.000 0.883 46 T HN 0.136 nan 8.240 nan 0.000 0.493 47 F N 2.446 122.373 119.950 -0.038 0.000 2.128 47 F HA 0.078 4.624 4.527 0.032 0.000 0.295 47 F C 2.449 178.138 175.800 -0.184 0.000 1.100 47 F CA 1.474 59.356 58.000 -0.198 0.000 1.260 47 F CB -0.886 38.169 39.000 0.091 0.000 1.009 47 F HN 0.130 nan 8.300 nan 0.000 0.476 48 T N 0.455 114.929 114.554 -0.133 0.000 2.624 48 T HA -0.238 4.131 4.350 0.032 0.000 0.268 48 T C 2.212 176.802 174.700 -0.182 0.000 1.041 48 T CA 2.056 64.043 62.100 -0.188 0.000 1.159 48 T CB -0.938 67.900 68.868 -0.049 0.000 0.863 48 T HN 0.131 nan 8.240 nan 0.000 0.434 49 V N 1.168 121.043 119.914 -0.067 0.000 2.282 49 V HA -0.228 3.911 4.120 0.032 0.000 0.249 49 V C 2.752 178.828 176.094 -0.030 0.000 1.057 49 V CA 2.080 64.381 62.300 0.001 0.000 1.032 49 V CB -0.912 31.000 31.823 0.149 0.000 0.645 49 V HN 0.459 nan 8.190 nan 0.000 0.447 50 S N -0.218 115.423 115.700 -0.098 0.000 2.372 50 S HA -0.253 4.236 4.470 0.032 0.000 0.227 50 S C 1.893 176.392 174.600 -0.169 0.000 1.044 50 S CA 1.863 59.983 58.200 -0.134 0.000 1.050 50 S CB -0.506 62.170 63.200 -0.872 0.000 0.901 50 S HN 0.643 nan 8.310 nan 0.000 0.447 51 N N 0.975 119.434 118.700 -0.402 0.000 2.080 51 N HA -0.095 4.664 4.740 0.032 0.000 0.189 51 N C 1.791 177.206 175.510 -0.159 0.000 1.036 51 N CA 1.176 54.038 53.050 -0.313 0.000 0.846 51 N CB -0.607 37.622 38.487 -0.429 0.000 1.015 51 N HN 0.253 nan 8.380 nan 0.000 0.423 52 L N 2.140 123.276 121.223 -0.145 0.000 1.976 52 L HA -0.226 4.134 4.340 0.032 0.000 0.223 52 L C 2.132 178.937 176.870 -0.109 0.000 1.081 52 L CA 1.643 56.423 54.840 -0.101 0.000 0.784 52 L CB -0.938 41.069 42.059 -0.087 0.000 0.896 52 L HN 0.134 nan 8.230 nan 0.000 0.438 53 I N -0.388 120.090 120.570 -0.154 0.000 2.145 53 I HA -0.400 3.789 4.170 0.032 0.000 0.244 53 I C 2.667 178.605 176.117 -0.299 0.000 1.075 53 I CA 2.166 63.285 61.300 -0.301 0.000 1.332 53 I CB -0.706 36.975 38.000 -0.531 0.000 1.033 53 I HN 0.443 nan 8.210 nan 0.000 0.410 54 K N 1.000 121.292 120.400 -0.180 0.000 2.032 54 K HA -0.225 4.114 4.320 0.032 0.000 0.209 54 K C 1.932 178.575 176.600 0.070 0.000 1.048 54 K CA 1.719 58.019 56.287 0.022 0.000 0.927 54 K CB -0.066 32.520 32.500 0.143 0.000 0.712 54 K HN 0.333 nan 8.250 nan 0.000 0.441 55 E N 0.607 120.818 120.200 0.018 0.000 2.106 55 E HA -0.130 4.239 4.350 0.032 0.000 0.192 55 E C 2.136 178.758 176.600 0.037 0.000 0.984 55 E CA 1.430 57.846 56.400 0.026 0.000 0.806 55 E CB -0.188 29.512 29.700 -0.001 0.000 0.750 55 E HN 0.426 nan 8.360 nan 0.000 0.458 56 V N -0.420 119.510 119.914 0.027 0.000 2.992 56 V HA 0.101 4.240 4.120 0.032 0.000 0.250 56 V C 0.612 176.754 176.094 0.080 0.000 1.090 56 V CA 1.079 63.400 62.300 0.034 0.000 1.101 56 V CB -0.780 31.046 31.823 0.004 0.000 0.743 56 V HN 0.234 nan 8.190 nan 0.000 0.468 57 N N 0.513 119.296 118.700 0.139 0.000 2.740 57 N HA -0.203 4.556 4.740 0.032 0.000 0.248 57 N C -0.287 175.346 175.510 0.206 0.000 1.062 57 N CA 1.108 54.304 53.050 0.245 0.000 0.704 57 N CB -1.320 37.255 38.487 0.147 0.000 0.968 57 N HN 0.825 nan 8.380 nan 0.000 0.547 58 K N -0.048 120.487 120.400 0.225 0.000 2.166 58 K HA 0.550 4.889 4.320 0.032 0.000 0.245 58 K C -2.473 174.322 176.600 0.325 0.000 0.967 58 K CA -2.024 54.388 56.287 0.208 0.000 0.863 58 K CB 1.026 33.623 32.500 0.161 0.000 1.107 58 K HN -0.036 nan 8.250 nan 0.000 0.436 59 P HA -0.039 nan 4.420 nan 0.000 0.267 59 P C -0.672 176.871 177.300 0.406 0.000 1.200 59 P CA 0.001 63.298 63.100 0.328 0.000 0.772 59 P CB 0.665 32.514 31.700 0.248 0.000 0.855 60 T N 1.998 116.783 114.554 0.386 0.000 2.952 60 T HA 0.521 4.890 4.350 0.032 0.000 0.305 60 T C -1.609 173.213 174.700 0.202 0.000 1.064 60 T CA -0.762 61.464 62.100 0.210 0.000 1.008 60 T CB 0.568 69.434 68.868 -0.003 0.000 1.078 60 T HN 0.147 nan 8.240 nan 0.000 0.459 61 L N 5.362 126.600 121.223 0.025 0.000 2.272 61 L HA 0.754 5.113 4.340 0.032 0.000 0.289 61 L C -1.014 175.819 176.870 -0.061 0.000 1.032 61 L CA -0.394 54.425 54.840 -0.035 0.000 0.810 61 L CB 1.305 43.227 42.059 -0.229 0.000 1.205 61 L HN 0.584 nan 8.230 nan 0.000 0.422 62 V N 7.092 126.984 119.914 -0.036 0.000 2.328 62 V HA 0.404 4.543 4.120 0.032 0.000 0.278 62 V C 0.262 176.363 176.094 0.011 0.000 1.021 62 V CA -0.454 61.823 62.300 -0.039 0.000 0.838 62 V CB 0.997 32.760 31.823 -0.101 0.000 0.999 62 V HN 0.585 nan 8.190 nan 0.000 0.447 63 I N 4.398 124.985 120.570 0.029 0.000 2.342 63 I HA 0.677 4.866 4.170 0.032 0.000 0.291 63 I C 0.523 176.672 176.117 0.053 0.000 1.010 63 I CA -0.109 61.216 61.300 0.041 0.000 1.308 63 I CB 1.412 39.445 38.000 0.054 0.000 1.400 63 I HN 0.649 nan 8.210 nan 0.000 0.488 64 A N 3.881 126.719 122.820 0.030 0.000 2.350 64 A HA 0.478 4.817 4.320 0.032 0.000 0.324 64 A C 0.405 177.978 177.584 -0.017 0.000 1.118 64 A CA -0.652 51.384 52.037 -0.002 0.000 0.783 64 A CB 0.580 19.572 19.000 -0.015 0.000 1.236 64 A HN 0.918 nan 8.150 nan 0.000 0.457 65 H N 1.251 120.336 119.070 0.025 0.000 2.423 65 H HA 0.024 4.598 4.556 0.030 0.000 0.297 65 H C 0.358 175.689 175.328 0.005 0.000 1.075 65 H CA 1.423 57.472 56.048 0.003 0.000 1.342 65 H CB -0.156 29.597 29.762 -0.015 0.000 1.395 65 H HN 0.650 nan 8.280 nan 0.000 0.530 66 N N -0.725 117.875 118.700 -0.167 0.000 2.265 66 N HA 0.174 4.933 4.740 0.032 0.000 0.300 66 N C -0.130 175.362 175.510 -0.030 0.000 1.148 66 N CA -1.048 51.983 53.050 -0.030 0.000 0.772 66 N CB 1.860 40.362 38.487 0.026 0.000 1.434 66 N HN 0.054 nan 8.380 nan 0.000 0.481 67 K N -0.386 120.019 120.400 0.008 0.000 2.362 67 K HA -0.052 4.287 4.320 0.032 0.000 0.200 67 K C 0.640 177.297 176.600 0.095 0.000 1.046 67 K CA 1.264 57.578 56.287 0.044 0.000 0.952 67 K CB -0.173 32.352 32.500 0.041 0.000 0.753 67 K HN 0.624 nan 8.250 nan 0.000 0.466 68 T N 1.706 116.297 114.554 0.062 0.000 2.809 68 T HA -0.070 4.299 4.350 0.032 0.000 0.260 68 T C 1.682 176.432 174.700 0.082 0.000 1.039 68 T CA 0.567 62.711 62.100 0.073 0.000 1.141 68 T CB -0.141 68.760 68.868 0.055 0.000 0.869 68 T HN 0.092 nan 8.240 nan 0.000 0.437 69 L N 1.924 123.174 121.223 0.045 0.000 2.043 69 L HA -0.020 4.339 4.340 0.032 0.000 0.212 69 L C 2.531 179.472 176.870 0.118 0.000 1.075 69 L CA 2.046 56.914 54.840 0.046 0.000 0.752 69 L CB -1.128 40.892 42.059 -0.064 0.000 0.891 69 L HN 0.224 nan 8.230 nan 0.000 0.432 70 A N -0.476 122.420 122.820 0.126 0.000 1.883 70 A HA -0.091 4.248 4.320 0.032 0.000 0.217 70 A C 2.361 180.177 177.584 0.387 0.000 1.186 70 A CA 1.710 53.880 52.037 0.220 0.000 0.624 70 A CB -1.633 17.456 19.000 0.149 0.000 0.822 70 A HN 0.546 nan 8.150 nan 0.000 0.444 71 G N -1.419 107.589 108.800 0.347 0.000 2.408 71 G HA2 -0.204 3.775 3.960 0.032 0.000 0.217 71 G HA3 -0.204 3.775 3.960 0.032 0.000 0.217 71 G C 1.624 176.655 174.900 0.218 0.000 1.150 71 G CA 0.963 46.208 45.100 0.241 0.000 0.776 71 G HN 0.600 nan 8.290 nan 0.000 0.542 72 Q N -0.544 119.365 119.800 0.183 0.000 2.079 72 Q HA 0.045 4.404 4.340 0.032 0.000 0.200 72 Q C 2.629 178.747 176.000 0.197 0.000 0.974 72 Q CA 0.791 56.682 55.803 0.147 0.000 0.840 72 Q CB -0.144 28.662 28.738 0.113 0.000 0.898 72 Q HN 0.490 nan 8.270 nan 0.000 0.430 73 L N -0.834 120.565 121.223 0.294 0.000 2.072 73 L HA -0.184 4.175 4.340 0.032 0.000 0.205 73 L C 2.310 179.537 176.870 0.594 0.000 1.079 73 L CA 1.073 56.184 54.840 0.453 0.000 0.752 73 L CB -0.641 41.749 42.059 0.553 0.000 0.906 73 L HN 0.294 nan 8.230 nan 0.000 0.436 74 Y N 0.990 121.514 120.300 0.373 0.000 2.081 74 Y HA -0.340 4.229 4.550 0.033 0.000 0.280 74 Y C 2.804 178.852 175.900 0.246 0.000 1.163 74 Y CA 1.833 60.133 58.100 0.334 0.000 1.135 74 Y CB -0.486 38.114 38.460 0.233 0.000 0.970 74 Y HN 0.062 nan 8.280 nan 0.000 0.498 75 S N 0.012 115.746 115.700 0.057 0.000 2.372 75 S HA -0.315 4.175 4.470 0.032 0.000 0.227 75 S C 1.944 176.475 174.600 -0.115 0.000 1.044 75 S CA 1.786 59.930 58.200 -0.093 0.000 1.050 75 S CB -0.477 62.709 63.200 -0.022 0.000 0.901 75 S HN 0.634 nan 8.310 nan 0.000 0.447 76 E N -0.401 119.767 120.200 -0.053 0.000 2.106 76 E HA -0.062 4.307 4.350 0.032 0.000 0.192 76 E C 1.399 177.831 176.600 -0.279 0.000 0.984 76 E CA 0.844 57.093 56.400 -0.252 0.000 0.806 76 E CB -0.058 29.539 29.700 -0.172 0.000 0.750 76 E HN 0.558 nan 8.360 nan 0.000 0.458 77 F N 0.457 120.491 119.950 0.139 0.000 2.512 77 F HA 0.079 4.626 4.527 0.034 0.000 0.296 77 F C 2.092 177.999 175.800 0.178 0.000 1.110 77 F CA 0.552 58.753 58.000 0.335 0.000 1.446 77 F CB 0.214 39.454 39.000 0.401 0.000 1.092 77 F HN -0.143 nan 8.300 nan 0.000 0.554 78 K N 0.284 120.737 120.400 0.089 0.000 2.155 78 K HA -0.120 4.219 4.320 0.032 0.000 0.203 78 K C 1.732 178.322 176.600 -0.016 0.000 1.052 78 K CA 1.187 57.471 56.287 -0.005 0.000 0.948 78 K CB -0.079 32.287 32.500 -0.223 0.000 0.728 78 K HN 0.336 nan 8.250 nan 0.000 0.448 79 E N -0.097 120.020 120.200 -0.137 0.000 2.072 79 E HA -0.120 4.249 4.350 0.032 0.000 0.190 79 E C 1.735 178.199 176.600 -0.227 0.000 0.982 79 E CA 0.875 57.136 56.400 -0.231 0.000 0.803 79 E CB -0.060 29.416 29.700 -0.373 0.000 0.755 79 E HN 0.150 nan 8.360 nan 0.000 0.453 80 F N 0.045 119.856 119.950 -0.232 0.000 2.134 80 F HA -0.081 4.465 4.527 0.031 0.000 0.299 80 F C 0.932 176.360 175.800 -0.620 0.000 1.097 80 F CA 1.038 58.741 58.000 -0.495 0.000 1.264 80 F CB -0.007 38.546 39.000 -0.744 0.000 1.001 80 F HN -0.099 nan 8.300 nan 0.000 0.479 81 F N 0.111 120.245 119.950 0.306 0.000 2.622 81 F HA 0.319 4.865 4.527 0.032 0.000 0.338 81 F C -1.807 174.108 175.800 0.191 0.000 1.334 81 F CA -1.727 56.433 58.000 0.266 0.000 1.179 81 F CB 0.480 39.688 39.000 0.345 0.000 1.471 81 F HN -0.237 nan 8.300 nan 0.000 0.576 82 P HA -0.068 nan 4.420 nan 0.000 0.229 82 P C 0.555 177.952 177.300 0.161 0.000 1.160 82 P CA 1.189 64.377 63.100 0.147 0.000 0.777 82 P CB 0.435 32.181 31.700 0.078 0.000 0.814 83 N N -0.393 118.427 118.700 0.201 0.000 2.236 83 N HA 0.077 4.837 4.740 0.032 0.000 0.196 83 N C 0.100 175.706 175.510 0.159 0.000 1.114 83 N CA 0.150 53.296 53.050 0.160 0.000 0.859 83 N CB 0.158 38.727 38.487 0.136 0.000 0.982 83 N HN 0.279 nan 8.380 nan 0.000 0.493 84 N N -0.288 118.549 118.700 0.227 0.000 2.432 84 N HA 0.487 5.246 4.740 0.032 0.000 0.292 84 N C -0.733 174.889 175.510 0.187 0.000 1.193 84 N CA -0.637 52.513 53.050 0.167 0.000 0.878 84 N CB 1.481 40.104 38.487 0.225 0.000 1.252 84 N HN -0.097 nan 8.380 nan 0.000 0.520 85 A N 0.876 123.772 122.820 0.127 0.000 2.539 85 A HA 0.311 4.651 4.320 0.032 0.000 0.306 85 A C -0.390 177.316 177.584 0.202 0.000 1.392 85 A CA -0.370 51.753 52.037 0.143 0.000 1.060 85 A CB -0.683 18.366 19.000 0.082 0.000 1.134 85 A HN 0.424 nan 8.150 nan 0.000 0.542 86 V N 4.176 124.242 119.914 0.255 0.000 2.498 86 V HA 0.326 4.465 4.120 0.032 0.000 0.279 86 V C 0.098 176.438 176.094 0.410 0.000 1.048 86 V CA -0.237 62.249 62.300 0.309 0.000 0.967 86 V CB 0.971 32.976 31.823 0.303 0.000 0.988 86 V HN 0.898 nan 8.190 nan 0.000 0.473 87 E N 2.927 123.378 120.200 0.418 0.000 2.378 87 E HA 0.458 4.828 4.350 0.032 0.000 0.265 87 E C -1.630 175.185 176.600 0.358 0.000 0.932 87 E CA -0.782 55.857 56.400 0.398 0.000 0.795 87 E CB 2.873 32.695 29.700 0.203 0.000 1.296 87 E HN 0.552 nan 8.360 nan 0.000 0.438 88 Y N 0.838 121.105 120.300 -0.055 0.000 2.349 88 Y HA 0.418 4.989 4.550 0.036 0.000 0.324 88 Y C -1.796 174.061 175.900 -0.072 0.000 1.005 88 Y CA -1.168 56.762 58.100 -0.284 0.000 1.240 88 Y CB 0.678 38.603 38.460 -0.893 0.000 1.117 88 Y HN 0.448 nan 8.280 nan 0.000 0.463 89 F N 7.098 126.758 119.950 -0.482 0.000 2.359 89 F HA 0.714 5.257 4.527 0.026 0.000 0.369 89 F C -1.362 174.133 175.800 -0.508 0.000 1.084 89 F CA -0.505 57.248 58.000 -0.411 0.000 1.096 89 F CB 0.271 39.119 39.000 -0.253 0.000 1.335 89 F HN 0.308 nan 8.300 nan 0.000 0.457 90 V N 2.286 121.677 119.914 -0.871 0.000 3.105 90 V HA 0.499 4.639 4.120 0.032 0.000 0.311 90 V C -0.531 175.176 176.094 -0.647 0.000 1.282 90 V CA -0.963 60.931 62.300 -0.676 0.000 1.065 90 V CB 2.235 33.642 31.823 -0.694 0.000 1.136 90 V HN 0.493 nan 8.190 nan 0.000 0.469 91 S N -0.313 115.124 115.700 -0.437 0.000 2.525 91 S HA 0.304 4.793 4.470 0.032 0.000 0.278 91 S C 0.294 174.725 174.600 -0.281 0.000 1.234 91 S CA -0.333 57.606 58.200 -0.435 0.000 1.058 91 S CB 0.540 63.565 63.200 -0.291 0.000 0.983 91 S HN 0.716 nan 8.310 nan 0.000 0.495 92 Y N 3.273 123.358 120.300 -0.358 0.000 2.529 92 Y HA 0.343 4.916 4.550 0.037 0.000 0.290 92 Y C -0.401 175.338 175.900 -0.268 0.000 1.177 92 Y CA -1.389 56.529 58.100 -0.303 0.000 1.305 92 Y CB -1.729 36.540 38.460 -0.318 0.000 1.047 92 Y HN 0.571 nan 8.280 nan 0.000 0.522 93 Y N 1.685 122.121 120.300 0.226 0.000 2.531 93 Y HA 0.379 4.947 4.550 0.029 0.000 0.347 93 Y C 1.604 177.565 175.900 0.102 0.000 1.024 93 Y CA 0.275 58.495 58.100 0.199 0.000 1.306 93 Y CB 0.531 39.091 38.460 0.166 0.000 1.149 93 Y HN 0.355 nan 8.280 nan 0.000 0.527 94 D N 2.296 122.839 120.400 0.239 0.000 2.213 94 D HA 0.096 4.756 4.640 0.032 0.000 0.205 94 D C 0.312 176.698 176.300 0.143 0.000 0.961 94 D CA 1.408 55.495 54.000 0.145 0.000 0.853 94 D CB -0.229 40.625 40.800 0.091 0.000 0.967 94 D HN 0.523 nan 8.370 nan 0.000 0.496 95 Y N -2.026 118.380 120.300 0.177 0.000 2.512 95 Y HA 0.709 5.278 4.550 0.032 0.000 0.348 95 Y C -1.649 174.350 175.900 0.164 0.000 0.990 95 Y CA -1.815 56.362 58.100 0.127 0.000 1.033 95 Y CB 1.678 40.174 38.460 0.060 0.000 1.259 95 Y HN 0.368 nan 8.280 nan 0.000 0.461 96 Y N 2.728 122.980 120.300 -0.079 0.000 2.278 96 Y HA 0.421 4.993 4.550 0.036 0.000 0.328 96 Y C -0.919 174.871 175.900 -0.184 0.000 1.166 96 Y CA -0.902 57.062 58.100 -0.227 0.000 1.211 96 Y CB 1.312 39.516 38.460 -0.427 0.000 1.167 96 Y HN 0.779 nan 8.280 nan 0.000 0.434 97 Q N 7.906 127.489 119.800 -0.363 0.000 2.390 97 Q HA 0.351 4.710 4.340 0.032 0.000 0.249 97 Q C -2.462 173.285 176.000 -0.423 0.000 0.996 97 Q CA -2.086 53.558 55.803 -0.264 0.000 0.899 97 Q CB 1.193 29.793 28.738 -0.230 0.000 1.216 97 Q HN 0.371 nan 8.270 nan 0.000 0.465 98 P HA -0.112 nan 4.420 nan 0.000 0.271 98 P C -0.486 176.687 177.300 -0.211 0.000 1.233 98 P CA -0.278 62.769 63.100 -0.088 0.000 0.789 98 P CB 0.620 32.408 31.700 0.147 0.000 0.951 99 E N 0.465 120.558 120.200 -0.178 0.000 2.338 99 E HA 0.465 4.834 4.350 0.032 0.000 0.272 99 E C -0.938 175.570 176.600 -0.154 0.000 1.029 99 E CA -0.370 55.890 56.400 -0.234 0.000 0.872 99 E CB 0.246 29.882 29.700 -0.107 0.000 1.015 99 E HN 0.493 nan 8.360 nan 0.000 0.417 100 A N 3.837 126.521 122.820 -0.227 0.000 2.566 100 A HA 0.431 4.770 4.320 0.032 0.000 0.290 100 A C -2.207 175.309 177.584 -0.113 0.000 1.071 100 A CA -0.692 51.274 52.037 -0.119 0.000 0.658 100 A CB 0.964 19.903 19.000 -0.101 0.000 1.285 100 A HN 0.622 nan 8.150 nan 0.000 0.427 101 Y N 0.241 120.409 120.300 -0.219 0.000 2.442 101 Y HA 0.620 5.188 4.550 0.030 0.000 0.344 101 Y C -1.282 174.505 175.900 -0.189 0.000 0.976 101 Y CA -0.970 56.984 58.100 -0.244 0.000 1.040 101 Y CB 2.163 40.375 38.460 -0.414 0.000 1.228 101 Y HN 0.644 nan 8.280 nan 0.000 0.451 102 V N 8.418 127.781 119.914 -0.919 0.000 2.334 102 V HA 0.325 4.464 4.120 0.032 0.000 0.281 102 V C -2.131 173.323 176.094 -1.066 0.000 1.016 102 V CA -1.600 60.246 62.300 -0.756 0.000 0.832 102 V CB 1.270 32.862 31.823 -0.385 0.000 0.999 102 V HN 0.747 nan 8.190 nan 0.000 0.439 103 P HA -0.016 nan 4.420 nan 0.000 0.220 103 P C 1.682 178.861 177.300 -0.203 0.000 1.152 103 P CA 1.302 64.112 63.100 -0.484 0.000 0.812 103 P CB 0.315 31.919 31.700 -0.160 0.000 0.792 104 Q N 0.101 119.786 119.800 -0.192 0.000 2.297 104 Q HA -0.099 4.260 4.340 0.032 0.000 0.208 104 Q C 1.555 177.499 176.000 -0.094 0.000 0.981 104 Q CA 2.246 57.988 55.803 -0.102 0.000 0.876 104 Q CB -1.722 26.960 28.738 -0.093 0.000 0.921 104 Q HN 0.436 nan 8.270 nan 0.000 0.446 105 T N -2.896 111.567 114.554 -0.151 0.000 3.144 105 T HA 0.335 4.704 4.350 0.032 0.000 0.290 105 T C -0.008 174.667 174.700 -0.042 0.000 0.966 105 T CA 0.238 62.288 62.100 -0.084 0.000 0.907 105 T CB 0.099 68.920 68.868 -0.078 0.000 1.152 105 T HN 0.567 nan 8.240 nan 0.000 0.532 106 D N 1.893 122.263 120.400 -0.050 0.000 2.697 106 D HA -0.143 4.516 4.640 0.032 0.000 0.238 106 D C -0.608 175.835 176.300 0.239 0.000 1.152 106 D CA 1.167 55.302 54.000 0.226 0.000 0.666 106 D CB -1.279 39.652 40.800 0.218 0.000 1.037 106 D HN 0.569 nan 8.370 nan 0.000 0.423 107 T N 0.085 114.705 114.554 0.111 0.000 2.900 107 T HA 0.547 4.916 4.350 0.032 0.000 0.295 107 T C -0.739 174.102 174.700 0.236 0.000 1.044 107 T CA -0.829 61.370 62.100 0.164 0.000 0.995 107 T CB 1.394 70.287 68.868 0.041 0.000 1.072 107 T HN 0.137 nan 8.240 nan 0.000 0.473 108 F N 2.926 122.922 119.950 0.077 0.000 2.427 108 F HA 0.601 5.147 4.527 0.030 0.000 0.348 108 F C -0.706 175.069 175.800 -0.041 0.000 1.125 108 F CA -1.953 56.056 58.000 0.014 0.000 0.989 108 F CB 0.521 39.564 39.000 0.071 0.000 1.165 108 F HN 0.487 nan 8.300 nan 0.000 0.442 109 I N 5.892 126.059 120.570 -0.672 0.000 2.347 109 I HA 0.153 4.343 4.170 0.032 0.000 0.294 109 I C 0.280 175.797 176.117 -0.999 0.000 1.090 109 I CA -0.366 60.549 61.300 -0.642 0.000 1.314 109 I CB 0.109 37.860 38.000 -0.415 0.000 1.423 109 I HN 0.391 nan 8.210 nan 0.000 0.503 110 E N 5.657 125.432 120.200 -0.707 0.000 2.366 110 E HA 0.063 4.432 4.350 0.032 0.000 0.266 110 E C 0.465 176.855 176.600 -0.349 0.000 1.015 110 E CA -0.077 56.039 56.400 -0.473 0.000 0.906 110 E CB 0.643 30.234 29.700 -0.183 0.000 0.979 110 E HN 0.598 nan 8.360 nan 0.000 0.443 111 K N 2.948 123.169 120.400 -0.298 0.000 2.491 111 K HA -0.057 4.282 4.320 0.032 0.000 0.279 111 K C -0.147 176.267 176.600 -0.311 0.000 1.026 111 K CA 0.332 56.414 56.287 -0.341 0.000 1.070 111 K CB 0.034 32.382 32.500 -0.254 0.000 0.887 111 K HN 0.501 nan 8.250 nan 0.000 0.481 112 D N -0.406 119.736 120.400 -0.430 0.000 2.934 112 D HA 0.747 5.407 4.640 0.032 0.000 0.230 112 D C -1.452 174.632 176.300 -0.361 0.000 1.204 112 D CA 0.659 54.487 54.000 -0.286 0.000 0.873 112 D CB 1.902 42.578 40.800 -0.207 0.000 1.645 112 D HN 0.885 nan 8.370 nan 0.000 0.502 113 A N 1.645 124.367 122.820 -0.164 0.000 2.547 113 A HA 0.559 4.898 4.320 0.032 0.000 0.300 113 A C -1.345 176.320 177.584 0.134 0.000 1.061 113 A CA -0.665 51.353 52.037 -0.031 0.000 0.808 113 A CB 0.748 19.707 19.000 -0.067 0.000 1.304 113 A HN 0.582 nan 8.150 nan 0.000 0.393 114 S N 2.021 117.837 115.700 0.193 0.000 2.552 114 S HA 0.756 5.245 4.470 0.032 0.000 0.314 114 S C -0.315 174.389 174.600 0.172 0.000 1.099 114 S CA -0.549 57.737 58.200 0.143 0.000 1.070 114 S CB 0.826 64.070 63.200 0.073 0.000 0.998 114 S HN 0.628 nan 8.310 nan 0.000 0.474 115 I N 3.460 124.062 120.570 0.053 0.000 2.474 115 I HA 0.211 4.401 4.170 0.032 0.000 0.287 115 I C 0.547 176.610 176.117 -0.090 0.000 1.048 115 I CA -0.390 60.839 61.300 -0.118 0.000 1.383 115 I CB 0.596 38.337 38.000 -0.431 0.000 1.412 115 I HN 0.689 nan 8.210 nan 0.000 0.531 116 N N 5.222 123.886 118.700 -0.061 0.000 2.462 116 N HA 0.028 4.787 4.740 0.032 0.000 0.242 116 N C 0.348 175.823 175.510 -0.058 0.000 1.010 116 N CA -0.085 52.948 53.050 -0.029 0.000 0.939 116 N CB 1.199 39.700 38.487 0.023 0.000 1.127 116 N HN 0.597 nan 8.380 nan 0.000 0.509 117 D N 2.760 123.114 120.400 -0.078 0.000 2.116 117 D HA -0.235 4.424 4.640 0.032 0.000 0.193 117 D C 1.421 177.692 176.300 -0.048 0.000 0.998 117 D CA 1.575 55.521 54.000 -0.091 0.000 0.836 117 D CB 0.271 41.009 40.800 -0.105 0.000 0.951 117 D HN 0.792 nan 8.370 nan 0.000 0.449 118 E N -0.350 119.835 120.200 -0.026 0.000 2.070 118 E HA -0.212 4.157 4.350 0.032 0.000 0.197 118 E C 2.210 178.828 176.600 0.030 0.000 1.004 118 E CA 1.122 57.521 56.400 -0.002 0.000 0.805 118 E CB -0.161 29.541 29.700 0.003 0.000 0.744 118 E HN 0.407 nan 8.360 nan 0.000 0.451 119 I N 0.883 121.477 120.570 0.041 0.000 2.252 119 I HA -0.229 3.960 4.170 0.032 0.000 0.245 119 I C 2.326 178.482 176.117 0.064 0.000 1.102 119 I CA 1.323 62.659 61.300 0.060 0.000 1.385 119 I CB -0.280 37.749 38.000 0.048 0.000 1.064 119 I HN 0.196 nan 8.210 nan 0.000 0.414 120 D N 1.282 121.739 120.400 0.094 0.000 2.117 120 D HA -0.249 4.410 4.640 0.032 0.000 0.197 120 D C 2.171 178.631 176.300 0.266 0.000 0.987 120 D CA 1.361 55.479 54.000 0.197 0.000 0.829 120 D CB -0.090 40.756 40.800 0.077 0.000 0.961 120 D HN 0.036 nan 8.370 nan 0.000 0.460 121 K N 0.426 120.907 120.400 0.135 0.000 2.020 121 K HA -0.159 4.180 4.320 0.032 0.000 0.212 121 K C 2.325 179.027 176.600 0.171 0.000 1.050 121 K CA 1.053 57.416 56.287 0.127 0.000 0.929 121 K CB -0.609 31.914 32.500 0.039 0.000 0.714 121 K HN 0.292 nan 8.250 nan 0.000 0.443 122 L N 0.379 121.680 121.223 0.129 0.000 2.265 122 L HA -0.125 4.234 4.340 0.032 0.000 0.215 122 L C 2.591 179.539 176.870 0.130 0.000 1.117 122 L CA 0.979 55.898 54.840 0.131 0.000 0.782 122 L CB -0.196 41.940 42.059 0.129 0.000 0.914 122 L HN 0.178 nan 8.230 nan 0.000 0.441 123 R N -1.510 119.050 120.500 0.100 0.000 2.127 123 R HA -0.047 4.312 4.340 0.032 0.000 0.217 123 R C 2.100 178.513 176.300 0.188 0.000 1.074 123 R CA 0.674 56.824 56.100 0.084 0.000 0.991 123 R CB -0.173 30.017 30.300 -0.182 0.000 0.895 123 R HN 0.353 nan 8.270 nan 0.000 0.450 124 H N -0.687 118.533 119.070 0.250 0.000 2.395 124 H HA 0.023 4.599 4.556 0.034 0.000 0.299 124 H C 2.194 177.617 175.328 0.159 0.000 1.070 124 H CA 1.584 57.774 56.048 0.236 0.000 1.356 124 H CB 0.062 29.888 29.762 0.106 0.000 1.401 124 H HN 0.031 nan 8.280 nan 0.000 0.524 125 S N -0.150 115.694 115.700 0.241 0.000 2.383 125 S HA -0.212 4.277 4.470 0.032 0.000 0.229 125 S C 2.306 176.969 174.600 0.105 0.000 1.030 125 S CA 1.000 59.299 58.200 0.165 0.000 1.002 125 S CB -0.337 62.962 63.200 0.165 0.000 0.829 125 S HN 0.524 nan 8.310 nan 0.000 0.467 126 A N 0.789 123.671 122.820 0.102 0.000 1.854 126 A HA -0.036 4.303 4.320 0.032 0.000 0.214 126 A C 2.488 179.988 177.584 -0.140 0.000 1.192 126 A CA 2.183 54.227 52.037 0.012 0.000 0.611 126 A CB -1.606 17.450 19.000 0.094 0.000 0.832 126 A HN 0.734 nan 8.150 nan 0.000 0.442 127 T N -1.324 113.134 114.554 -0.160 0.000 2.777 127 T HA -0.171 4.199 4.350 0.032 0.000 0.266 127 T C 2.135 176.866 174.700 0.051 0.000 1.040 127 T CA 2.095 64.046 62.100 -0.247 0.000 1.141 127 T CB -0.951 67.632 68.868 -0.474 0.000 0.868 127 T HN 0.704 nan 8.240 nan 0.000 0.444 128 S N 2.486 118.201 115.700 0.024 0.000 2.382 128 S HA 0.055 4.544 4.470 0.032 0.000 0.228 128 S C 2.451 176.910 174.600 -0.236 0.000 1.027 128 S CA 0.962 58.935 58.200 -0.379 0.000 0.991 128 S CB -0.971 61.897 63.200 -0.554 0.000 0.823 128 S HN 0.759 nan 8.310 nan 0.000 0.469 129 A N 2.276 125.034 122.820 -0.103 0.000 1.877 129 A HA 0.146 4.485 4.320 0.032 0.000 0.216 129 A C 2.314 179.832 177.584 -0.110 0.000 1.186 129 A CA 1.463 53.461 52.037 -0.065 0.000 0.620 129 A CB -1.024 17.953 19.000 -0.039 0.000 0.822 129 A HN 0.563 nan 8.150 nan 0.000 0.443 130 L N -2.040 119.040 121.223 -0.239 0.000 2.263 130 L HA -0.195 4.164 4.340 0.032 0.000 0.216 130 L C 2.055 178.691 176.870 -0.390 0.000 1.111 130 L CA 1.123 55.706 54.840 -0.429 0.000 0.773 130 L CB -0.446 41.185 42.059 -0.714 0.000 0.906 130 L HN 0.428 nan 8.230 nan 0.000 0.439 131 F N -0.914 119.016 119.950 -0.033 0.000 2.698 131 F HA 0.008 4.553 4.527 0.031 0.000 0.295 131 F C 2.226 178.111 175.800 0.141 0.000 1.124 131 F CA 0.349 58.409 58.000 0.099 0.000 1.426 131 F CB 0.260 39.433 39.000 0.290 0.000 1.120 131 F HN 0.008 nan 8.300 nan 0.000 0.583 132 E N 0.032 120.374 120.200 0.238 0.000 2.389 132 E HA 0.113 4.482 4.350 0.032 0.000 0.199 132 E C 0.243 176.903 176.600 0.101 0.000 0.978 132 E CA 0.031 56.561 56.400 0.216 0.000 0.912 132 E CB 0.519 30.351 29.700 0.219 0.000 0.907 132 E HN 0.326 nan 8.360 nan 0.000 0.494 133 R N -1.565 118.949 120.500 0.024 0.000 2.712 133 R HA 0.409 4.768 4.340 0.032 0.000 0.272 133 R C -0.111 176.133 176.300 -0.093 0.000 1.032 133 R CA -0.792 55.290 56.100 -0.030 0.000 0.874 133 R CB 0.842 31.123 30.300 -0.032 0.000 1.256 133 R HN -0.255 nan 8.270 nan 0.000 0.468 134 R N 0.008 120.435 120.500 -0.122 0.000 2.237 134 R HA 0.011 4.370 4.340 0.032 0.000 0.195 134 R C -0.279 175.863 176.300 -0.263 0.000 0.956 134 R CA 0.776 56.785 56.100 -0.153 0.000 1.029 134 R CB 0.293 30.520 30.300 -0.121 0.000 0.972 134 R HN 0.741 nan 8.270 nan 0.000 0.493 135 D N 1.222 121.389 120.400 -0.388 0.000 2.801 135 D HA 0.020 4.679 4.640 0.032 0.000 0.232 135 D C -0.471 175.569 176.300 -0.434 0.000 1.128 135 D CA 0.039 53.545 54.000 -0.823 0.000 1.003 135 D CB 0.128 40.494 40.800 -0.724 0.000 1.110 135 D HN -0.210 nan 8.370 nan 0.000 0.477 136 V N 1.274 121.124 119.914 -0.107 0.000 2.444 136 V HA 0.364 4.503 4.120 0.032 0.000 0.294 136 V C 0.234 176.488 176.094 0.266 0.000 1.022 136 V CA -0.873 61.480 62.300 0.088 0.000 0.850 136 V CB 1.655 33.449 31.823 -0.047 0.000 0.992 136 V HN 0.197 nan 8.190 nan 0.000 0.426 137 I N 5.860 126.570 120.570 0.233 0.000 2.362 137 I HA 0.500 4.689 4.170 0.032 0.000 0.289 137 I C -0.407 175.788 176.117 0.131 0.000 0.994 137 I CA -0.260 61.113 61.300 0.121 0.000 1.158 137 I CB 1.530 39.508 38.000 -0.035 0.000 1.315 137 I HN 0.405 nan 8.210 nan 0.000 0.451 138 I N 6.487 127.145 120.570 0.146 0.000 2.377 138 I HA 0.409 4.598 4.170 0.032 0.000 0.293 138 I C -0.348 175.829 176.117 0.100 0.000 0.987 138 I CA -0.777 60.615 61.300 0.153 0.000 1.185 138 I CB 1.556 39.667 38.000 0.185 0.000 1.341 138 I HN 0.309 nan 8.210 nan 0.000 0.455 139 I N 5.145 125.796 120.570 0.135 0.000 2.336 139 I HA 0.643 4.832 4.170 0.032 0.000 0.292 139 I C 0.273 176.409 176.117 0.032 0.000 0.991 139 I CA -0.231 61.134 61.300 0.108 0.000 1.227 139 I CB 1.185 39.340 38.000 0.259 0.000 1.366 139 I HN 0.617 nan 8.210 nan 0.000 0.466 140 A N 4.799 127.625 122.820 0.010 0.000 2.515 140 A HA 0.804 5.143 4.320 0.032 0.000 0.296 140 A C 0.071 177.628 177.584 -0.045 0.000 1.094 140 A CA -0.432 51.598 52.037 -0.012 0.000 0.718 140 A CB 1.697 20.750 19.000 0.090 0.000 1.307 140 A HN 0.751 nan 8.150 nan 0.000 0.408 141 S N -0.346 115.301 115.700 -0.088 0.000 2.481 141 S HA 0.380 4.869 4.470 0.032 0.000 0.267 141 S C 1.163 175.745 174.600 -0.031 0.000 1.174 141 S CA 0.262 58.416 58.200 -0.076 0.000 1.027 141 S CB -0.203 62.916 63.200 -0.135 0.000 1.117 141 S HN 1.736 nan 8.310 nan 0.000 0.495 142 V N -1.175 118.719 119.914 -0.034 0.000 3.510 142 V HA 0.047 4.187 4.120 0.032 0.000 0.270 142 V C 2.149 178.285 176.094 0.072 0.000 1.201 142 V CA 1.240 63.540 62.300 0.001 0.000 1.166 142 V CB -1.377 30.462 31.823 0.027 0.000 0.825 142 V HN 0.798 nan 8.190 nan 0.000 0.484 143 S N 1.249 116.935 115.700 -0.024 0.000 2.423 143 S HA -0.266 4.223 4.470 0.032 0.000 0.238 143 S C 1.904 176.642 174.600 0.231 0.000 1.028 143 S CA 2.059 60.248 58.200 -0.019 0.000 1.000 143 S CB -0.814 62.252 63.200 -0.223 0.000 0.797 143 S HN 1.051 nan 8.310 nan 0.000 0.487 144 C N 0.979 120.400 119.300 0.203 0.000 2.511 144 C HA 0.273 4.752 4.460 0.032 0.000 0.277 144 C C 1.869 176.899 174.990 0.066 0.000 1.451 144 C CA -0.088 58.997 59.018 0.112 0.000 1.735 144 C CB -1.990 25.765 27.740 0.024 0.000 1.704 144 C HN 0.746 nan 8.230 nan 0.000 0.571 145 I N -4.810 115.821 120.570 0.102 0.000 4.057 145 I HA 0.413 4.602 4.170 0.032 0.000 0.334 145 I C 0.523 176.662 176.117 0.037 0.000 1.308 145 I CA -0.508 60.819 61.300 0.044 0.000 1.125 145 I CB -0.404 37.543 38.000 -0.089 0.000 1.034 145 I HN 0.103 nan 8.210 nan 0.000 0.401 146 Y N 2.522 122.823 120.300 0.002 0.000 2.289 146 Y HA 0.650 5.236 4.550 0.061 0.000 0.332 146 Y C 1.376 177.291 175.900 0.025 0.000 1.324 146 Y CA -0.110 57.992 58.100 0.003 0.000 1.478 146 Y CB 0.464 38.901 38.460 -0.037 0.000 1.378 146 Y HN 0.005 nan 8.280 nan 0.000 0.558 147 G N 0.491 109.400 108.800 0.181 0.000 2.448 147 G HA2 0.527 4.507 3.960 0.032 0.000 0.285 147 G HA3 0.527 4.507 3.960 0.032 0.000 0.285 147 G C -1.816 173.164 174.900 0.134 0.000 1.176 147 G CA -0.259 44.923 45.100 0.136 0.000 0.852 147 G HN 0.381 nan 8.290 nan 0.000 0.530 148 L N -0.174 121.147 121.223 0.164 0.000 2.612 148 L HA 0.606 4.965 4.340 0.032 0.000 0.256 148 L C 0.666 177.692 176.870 0.260 0.000 0.949 148 L CA -0.216 54.710 54.840 0.143 0.000 0.867 148 L CB 1.643 43.700 42.059 -0.004 0.000 1.417 148 L HN 0.893 nan 8.230 nan 0.000 0.414 149 G N 0.749 109.703 108.800 0.257 0.000 2.720 149 G HA2 0.216 4.195 3.960 0.032 0.000 0.237 149 G HA3 0.216 4.195 3.960 0.032 0.000 0.237 149 G C -0.019 174.954 174.900 0.121 0.000 1.239 149 G CA 0.289 45.537 45.100 0.246 0.000 0.847 149 G HN 0.812 nan 8.290 nan 0.000 0.593 150 S N 1.821 117.449 115.700 -0.121 0.000 2.596 150 S HA 0.083 4.572 4.470 0.032 0.000 0.298 150 S C -0.230 174.115 174.600 -0.426 0.000 1.255 150 S CA -0.557 57.217 58.200 -0.710 0.000 1.083 150 S CB 0.797 63.625 63.200 -0.619 0.000 0.837 150 S HN 0.423 nan 8.310 nan 0.000 0.499 151 P HA -0.124 nan 4.420 nan 0.000 0.217 151 P C 0.929 178.099 177.300 -0.215 0.000 1.148 151 P CA 1.220 63.894 63.100 -0.711 0.000 0.828 151 P CB 0.145 31.343 31.700 -0.838 0.000 0.783 152 E N -0.058 120.010 120.200 -0.220 0.000 2.106 152 E HA -0.141 4.228 4.350 0.032 0.000 0.192 152 E C 2.560 179.104 176.600 -0.094 0.000 0.984 152 E CA 1.897 58.228 56.400 -0.115 0.000 0.806 152 E CB -0.994 28.645 29.700 -0.102 0.000 0.750 152 E HN 0.396 nan 8.360 nan 0.000 0.458 153 E N 0.040 120.186 120.200 -0.089 0.000 2.106 153 E HA -0.186 4.183 4.350 0.032 0.000 0.192 153 E C 1.809 178.428 176.600 0.032 0.000 0.984 153 E CA 1.300 57.688 56.400 -0.019 0.000 0.806 153 E CB -0.950 nan 29.700 nan 0.000 0.750 153 E HN 0.476 nan 8.360 nan 0.000 0.458 154 Y N 0.974 121.222 120.300 -0.088 0.000 2.133 154 Y HA -0.046 4.525 4.550 0.036 0.000 0.287 154 Y C 3.004 178.800 175.900 -0.175 0.000 1.134 154 Y CA 3.258 61.340 58.100 -0.029 0.000 1.133 154 Y CB -0.582 37.944 38.460 0.110 0.000 0.987 154 Y HN 0.291 nan 8.280 nan 0.000 0.502 155 R N 0.545 120.865 120.500 -0.300 0.000 2.170 155 R HA -0.185 4.175 4.340 0.032 0.000 0.242 155 R C 1.953 178.049 176.300 -0.339 0.000 1.145 155 R CA 1.990 57.713 56.100 -0.629 0.000 0.984 155 R CB -1.380 28.515 30.300 -0.674 0.000 0.869 155 R HN 0.574 nan 8.270 nan 0.000 0.455 156 E N -1.173 118.905 120.200 -0.203 0.000 2.190 156 E HA 0.172 4.542 4.350 0.032 0.000 0.191 156 E C 2.232 178.750 176.600 -0.137 0.000 0.978 156 E CA 1.489 57.806 56.400 -0.138 0.000 0.839 156 E CB 0.181 29.833 29.700 -0.079 0.000 0.787 156 E HN 0.548 nan 8.360 nan 0.000 0.473 157 M N 0.007 119.524 119.600 -0.139 0.000 2.561 157 M HA 0.234 4.733 4.480 0.032 0.000 0.238 157 M C 0.982 177.178 176.300 -0.173 0.000 1.131 157 M CA 0.281 55.517 55.300 -0.107 0.000 1.046 157 M CB -0.835 31.741 32.600 -0.039 0.000 1.532 157 M HN -0.110 nan 8.290 nan 0.000 0.497 158 V N 2.360 122.097 119.914 -0.296 0.000 2.584 158 V HA 0.036 4.175 4.120 0.032 0.000 0.303 158 V C 0.521 176.447 176.094 -0.280 0.000 1.035 158 V CA -0.060 61.992 62.300 -0.413 0.000 1.172 158 V CB 0.291 31.742 31.823 -0.621 0.000 0.896 158 V HN 0.401 nan 8.190 nan 0.000 0.486 159 V N 5.679 125.443 119.914 -0.251 0.000 2.405 159 V HA 0.153 4.293 4.120 0.032 0.000 0.264 159 V C 0.606 176.575 176.094 -0.209 0.000 1.048 159 V CA 0.190 62.378 62.300 -0.187 0.000 0.966 159 V CB 1.067 32.795 31.823 -0.160 0.000 1.015 159 V HN 0.884 nan 8.190 nan 0.000 0.477 160 S N 6.544 122.158 115.700 -0.143 0.000 2.422 160 S HA 0.624 5.113 4.470 0.032 0.000 0.298 160 S C -0.288 174.278 174.600 -0.057 0.000 1.118 160 S CA -0.467 57.683 58.200 -0.085 0.000 1.083 160 S CB 0.358 63.575 63.200 0.030 0.000 0.971 160 S HN 0.515 nan 8.310 nan 0.000 0.478 161 L N 5.268 126.430 121.223 -0.103 0.000 2.317 161 L HA 0.689 5.049 4.340 0.032 0.000 0.281 161 L C 0.127 176.995 176.870 -0.005 0.000 1.024 161 L CA -0.846 53.948 54.840 -0.077 0.000 0.810 161 L CB 1.232 43.210 42.059 -0.135 0.000 1.240 161 L HN 0.557 nan 8.230 nan 0.000 0.427 162 R N -0.121 120.384 120.500 0.008 0.000 2.673 162 R HA 0.537 4.896 4.340 0.032 0.000 0.281 162 R C -0.494 175.788 176.300 -0.030 0.000 0.991 162 R CA -0.855 55.264 56.100 0.030 0.000 0.896 162 R CB 1.289 31.626 30.300 0.061 0.000 1.201 162 R HN 0.633 nan 8.270 nan 0.000 0.457 163 T N -0.991 113.541 114.554 -0.037 0.000 2.906 163 T HA 0.042 4.411 4.350 0.032 0.000 0.320 163 T C 0.354 175.030 174.700 -0.039 0.000 1.088 163 T CA 0.133 62.199 62.100 -0.057 0.000 1.120 163 T CB 0.268 69.106 68.868 -0.051 0.000 1.000 163 T HN 0.892 nan 8.240 nan 0.000 0.550 164 E N -1.466 118.710 120.200 -0.040 0.000 3.496 164 E HA -0.236 4.133 4.350 0.032 0.000 0.300 164 E C 0.229 176.824 176.600 -0.008 0.000 0.877 164 E CA 0.697 57.087 56.400 -0.016 0.000 1.050 164 E CB -1.438 28.254 29.700 -0.013 0.000 1.532 164 E HN 0.840 nan 8.360 nan 0.000 0.447 165 M N 0.958 120.546 119.600 -0.019 0.000 2.243 165 M HA 0.258 4.757 4.480 0.032 0.000 0.341 165 M C 0.407 176.717 176.300 0.016 0.000 1.130 165 M CA 0.709 56.005 55.300 -0.007 0.000 1.162 165 M CB 0.464 33.053 32.600 -0.019 0.000 1.497 165 M HN 0.112 nan 8.290 nan 0.000 0.456 166 E N 4.801 125.017 120.200 0.026 0.000 2.249 166 E HA 0.671 5.040 4.350 0.032 0.000 0.280 166 E C -0.934 175.701 176.600 0.059 0.000 1.016 166 E CA -0.561 55.866 56.400 0.046 0.000 0.830 166 E CB 1.290 31.008 29.700 0.029 0.000 1.081 166 E HN 0.843 nan 8.360 nan 0.000 0.395 167 I N 0.365 120.996 120.570 0.103 0.000 2.660 167 I HA 0.115 4.304 4.170 0.032 0.000 0.290 167 I C -1.033 175.175 176.117 0.153 0.000 1.735 167 I CA -0.448 60.924 61.300 0.119 0.000 1.042 167 I CB 1.385 39.473 38.000 0.147 0.000 1.565 167 I HN 0.711 nan 8.210 nan 0.000 0.479 168 E N 7.060 127.264 120.200 0.007 0.000 2.331 168 E HA 0.256 4.625 4.350 0.032 0.000 0.272 168 E C 0.394 176.801 176.600 -0.323 0.000 1.036 168 E CA -0.755 55.563 56.400 -0.136 0.000 0.864 168 E CB 1.482 31.110 29.700 -0.121 0.000 1.035 168 E HN 0.572 nan 8.360 nan 0.000 0.408 169 R N 2.134 122.198 120.500 -0.726 0.000 2.096 169 R HA -0.202 4.157 4.340 0.032 0.000 0.240 169 R C 1.286 177.324 176.300 -0.436 0.000 1.139 169 R CA 1.836 57.306 56.100 -1.050 0.000 0.952 169 R CB -0.043 29.612 30.300 -1.074 0.000 0.854 169 R HN 0.490 nan 8.270 nan 0.000 0.436 170 N N 0.624 119.151 118.700 -0.287 0.000 2.244 170 N HA -0.156 4.603 4.740 0.032 0.000 0.183 170 N C 1.480 176.916 175.510 -0.123 0.000 1.016 170 N CA 0.888 53.840 53.050 -0.164 0.000 0.866 170 N CB -0.205 38.210 38.487 -0.120 0.000 0.980 170 N HN 0.398 nan 8.380 nan 0.000 0.430 171 E N 0.758 120.887 120.200 -0.119 0.000 2.085 171 E HA -0.164 4.205 4.350 0.032 0.000 0.194 171 E C 1.843 178.394 176.600 -0.082 0.000 0.994 171 E CA 0.598 56.951 56.400 -0.079 0.000 0.801 171 E CB -0.054 29.610 29.700 -0.060 0.000 0.743 171 E HN 0.198 nan 8.360 nan 0.000 0.453 172 L N 1.126 122.293 121.223 -0.092 0.000 2.042 172 L HA -0.204 4.155 4.340 0.032 0.000 0.210 172 L C 2.283 179.037 176.870 -0.193 0.000 1.076 172 L CA 1.402 56.189 54.840 -0.089 0.000 0.749 172 L CB -0.570 41.499 42.059 0.016 0.000 0.893 172 L HN 0.314 nan 8.230 nan 0.000 0.432 173 L N -0.564 120.524 121.223 -0.225 0.000 2.042 173 L HA -0.264 4.095 4.340 0.032 0.000 0.210 173 L C 2.798 179.589 176.870 -0.131 0.000 1.076 173 L CA 1.332 55.999 54.840 -0.288 0.000 0.749 173 L CB -0.689 41.289 42.059 -0.135 0.000 0.893 173 L HN 0.283 nan 8.230 nan 0.000 0.432 174 R N 0.580 121.042 120.500 -0.064 0.000 2.097 174 R HA -0.192 4.167 4.340 0.032 0.000 0.236 174 R C 2.380 178.675 176.300 -0.007 0.000 1.135 174 R CA 1.736 57.829 56.100 -0.012 0.000 0.934 174 R CB -0.262 30.029 30.300 -0.015 0.000 0.846 174 R HN 0.328 nan 8.270 nan 0.000 0.431 175 K N 0.463 120.840 120.400 -0.039 0.000 2.160 175 K HA -0.163 4.176 4.320 0.032 0.000 0.206 175 K C 2.088 178.680 176.600 -0.012 0.000 1.047 175 K CA 1.171 57.439 56.287 -0.032 0.000 0.930 175 K CB -0.181 32.284 32.500 -0.058 0.000 0.720 175 K HN 0.225 nan 8.250 nan 0.000 0.450 176 L N 0.397 121.579 121.223 -0.069 0.000 2.141 176 L HA -0.143 4.216 4.340 0.032 0.000 0.209 176 L C 2.295 179.318 176.870 0.255 0.000 1.094 176 L CA 0.757 55.589 54.840 -0.012 0.000 0.763 176 L CB -0.235 41.574 42.059 -0.418 0.000 0.908 176 L HN 0.012 nan 8.230 nan 0.000 0.437 177 V N -0.133 119.909 119.914 0.214 0.000 2.407 177 V HA -0.269 3.870 4.120 0.032 0.000 0.245 177 V C 2.040 178.223 176.094 0.148 0.000 1.041 177 V CA 1.942 64.381 62.300 0.232 0.000 1.040 177 V CB -0.293 31.649 31.823 0.199 0.000 0.671 177 V HN 0.478 nan 8.190 nan 0.000 0.455 178 D N 0.529 120.992 120.400 0.106 0.000 2.311 178 D HA -0.158 4.501 4.640 0.032 0.000 0.212 178 D C 1.333 177.686 176.300 0.089 0.000 0.972 178 D CA 1.227 55.274 54.000 0.079 0.000 0.887 178 D CB -0.113 40.718 40.800 0.051 0.000 0.915 178 D HN 0.677 nan 8.370 nan 0.000 0.497 179 I N -4.224 116.423 120.570 0.127 0.000 3.762 179 I HA 0.330 4.519 4.170 0.032 0.000 0.333 179 I C -0.257 175.913 176.117 0.089 0.000 1.566 179 I CA -0.475 60.901 61.300 0.127 0.000 1.129 179 I CB 0.580 38.666 38.000 0.144 0.000 1.218 179 I HN -0.237 nan 8.210 nan 0.000 0.456 180 Q N -0.965 118.877 119.800 0.070 0.000 2.431 180 Q HA -0.202 4.157 4.340 0.032 0.000 0.230 180 Q C -0.852 175.070 176.000 -0.130 0.000 0.701 180 Q CA 1.007 56.787 55.803 -0.038 0.000 1.290 180 Q CB -2.585 26.098 28.738 -0.092 0.000 1.362 180 Q HN 0.766 nan 8.270 nan 0.000 0.762 181 Y N 0.045 120.419 120.300 0.124 0.000 2.300 181 Y HA 0.508 5.078 4.550 0.033 0.000 0.328 181 Y C 0.827 176.822 175.900 0.158 0.000 1.270 181 Y CA 0.216 58.428 58.100 0.186 0.000 1.352 181 Y CB 1.113 39.786 38.460 0.355 0.000 1.286 181 Y HN 0.127 nan 8.280 nan 0.000 0.536 182 A N 2.974 125.894 122.820 0.167 0.000 2.340 182 A HA 0.543 4.882 4.320 0.032 0.000 0.297 182 A C -0.710 176.575 177.584 -0.497 0.000 1.195 182 A CA -0.978 50.996 52.037 -0.105 0.000 0.769 182 A CB 0.528 19.472 19.000 -0.093 0.000 1.163 182 A HN 0.727 nan 8.150 nan 0.000 0.472 183 R N 2.624 122.527 120.500 -0.995 0.000 2.501 183 R HA 0.022 4.381 4.340 0.032 0.000 0.319 183 R C -0.649 175.396 176.300 -0.425 0.000 0.913 183 R CA 1.009 56.439 56.100 -1.116 0.000 1.104 183 R CB -0.318 29.629 30.300 -0.589 0.000 0.901 183 R HN 0.671 nan 8.270 nan 0.000 0.407 184 N N 3.390 121.923 118.700 -0.278 0.000 2.572 184 N HA 0.109 4.868 4.740 0.032 0.000 0.287 184 N C -1.062 174.451 175.510 0.006 0.000 1.136 184 N CA -0.442 52.558 53.050 -0.084 0.000 0.900 184 N CB 1.415 39.882 38.487 -0.034 0.000 1.484 184 N HN 0.481 nan 8.380 nan 0.000 0.526 185 D N 2.780 123.173 120.400 -0.011 0.000 2.240 185 D HA 0.112 4.771 4.640 0.032 0.000 0.206 185 D C 1.974 178.288 176.300 0.023 0.000 0.963 185 D CA 0.982 54.980 54.000 -0.002 0.000 0.863 185 D CB 0.322 41.112 40.800 -0.017 0.000 0.973 185 D HN 0.632 nan 8.370 nan 0.000 0.501 186 I N 0.214 120.801 120.570 0.028 0.000 2.585 186 I HA 0.019 4.208 4.170 0.032 0.000 0.254 186 I C 0.364 176.522 176.117 0.068 0.000 1.129 186 I CA 0.961 62.282 61.300 0.036 0.000 1.455 186 I CB -0.209 37.801 38.000 0.017 0.000 1.111 186 I HN -0.188 nan 8.210 nan 0.000 0.433 187 D N 0.581 121.027 120.400 0.077 0.000 2.462 187 D HA 0.343 5.002 4.640 0.032 0.000 0.249 187 D C -1.381 175.011 176.300 0.153 0.000 1.117 187 D CA -0.251 53.801 54.000 0.086 0.000 0.900 187 D CB 1.222 42.036 40.800 0.024 0.000 1.039 187 D HN 0.394 nan 8.370 nan 0.000 0.516 188 F N 2.795 122.776 119.950 0.051 0.000 2.390 188 F HA 0.246 4.792 4.527 0.033 0.000 0.361 188 F C -0.019 175.861 175.800 0.133 0.000 1.124 188 F CA -0.127 57.949 58.000 0.128 0.000 1.149 188 F CB 0.518 39.629 39.000 0.184 0.000 1.160 188 F HN 0.117 nan 8.300 nan 0.000 0.501 189 Q N 4.293 123.878 119.800 -0.358 0.000 2.544 189 Q HA 0.456 4.815 4.340 0.032 0.000 0.291 189 Q C -0.912 174.347 176.000 -1.234 0.000 1.068 189 Q CA -1.433 53.944 55.803 -0.711 0.000 0.785 189 Q CB 1.523 30.029 28.738 -0.388 0.000 1.481 189 Q HN 0.703 nan 8.270 nan 0.000 0.430 190 R N -0.282 119.329 120.500 -1.482 0.000 2.679 190 R HA 0.429 4.788 4.340 0.032 0.000 0.268 190 R C 0.415 176.469 176.300 -0.409 0.000 1.044 190 R CA 0.726 56.245 56.100 -0.968 0.000 1.105 190 R CB -0.161 29.758 30.300 -0.636 0.000 0.989 190 R HN 0.920 nan 8.270 nan 0.000 0.447 191 G N 0.639 109.365 108.800 -0.123 0.000 2.157 191 G HA2 -0.234 3.745 3.960 0.032 0.000 0.239 191 G HA3 -0.234 3.745 3.960 0.032 0.000 0.239 191 G C -0.073 174.907 174.900 0.133 0.000 0.982 191 G CA 0.277 45.316 45.100 -0.101 0.000 0.650 191 G HN 0.787 nan 8.290 nan 0.000 0.527 192 T N 0.138 114.820 114.554 0.213 0.000 2.916 192 T HA 0.729 5.098 4.350 0.032 0.000 0.292 192 T C -0.823 174.149 174.700 0.453 0.000 1.055 192 T CA -0.051 62.172 62.100 0.204 0.000 1.009 192 T CB 1.444 70.342 68.868 0.050 0.000 1.118 192 T HN 0.982 nan 8.240 nan 0.000 0.497 193 F N 0.730 120.901 119.950 0.368 0.000 2.588 193 F HA 0.887 5.432 4.527 0.031 0.000 0.314 193 F C -0.413 175.555 175.800 0.281 0.000 1.069 193 F CA -1.404 56.822 58.000 0.376 0.000 0.931 193 F CB 1.295 40.390 39.000 0.159 0.000 1.260 193 F HN 0.588 nan 8.300 nan 0.000 0.465 194 R N 1.124 121.824 120.500 0.332 0.000 2.795 194 R HA 0.913 5.273 4.340 0.032 0.000 0.275 194 R C -2.309 174.038 176.300 0.078 0.000 0.981 194 R CA -1.120 55.017 56.100 0.062 0.000 0.917 194 R CB 2.164 32.321 30.300 -0.239 0.000 1.202 194 R HN 0.608 nan 8.270 nan 0.000 0.469 195 V N 1.873 121.824 119.914 0.061 0.000 2.531 195 V HA 0.537 4.676 4.120 0.032 0.000 0.301 195 V C -0.423 175.678 176.094 0.011 0.000 1.034 195 V CA -0.875 61.465 62.300 0.067 0.000 0.865 195 V CB 1.626 33.513 31.823 0.106 0.000 0.995 195 V HN 0.736 nan 8.190 nan 0.000 0.424 196 R N 3.131 123.634 120.500 0.004 0.000 2.472 196 R HA 0.584 4.943 4.340 0.032 0.000 0.294 196 R C 0.925 177.231 176.300 0.011 0.000 1.243 196 R CA 0.151 56.249 56.100 -0.003 0.000 1.023 196 R CB 1.578 31.867 30.300 -0.019 0.000 1.157 196 R HN 1.114 nan 8.270 nan 0.000 0.530 197 G N 2.553 111.356 108.800 0.005 0.000 2.665 197 G HA2 -0.393 3.586 3.960 0.032 0.000 0.326 197 G HA3 -0.393 3.586 3.960 0.032 0.000 0.326 197 G C 0.319 175.230 174.900 0.018 0.000 1.231 197 G CA 0.695 45.798 45.100 0.004 0.000 0.992 197 G HN 0.596 nan 8.290 nan 0.000 0.549 198 D N 0.956 121.390 120.400 0.057 0.000 2.325 198 D HA 0.357 5.016 4.640 0.032 0.000 0.234 198 D C 0.317 176.748 176.300 0.217 0.000 1.122 198 D CA 0.503 54.584 54.000 0.134 0.000 0.850 198 D CB 0.359 41.252 40.800 0.155 0.000 0.921 198 D HN 0.291 nan 8.370 nan 0.000 0.513 199 V N 1.256 121.254 119.914 0.140 0.000 2.409 199 V HA 0.244 4.383 4.120 0.032 0.000 0.290 199 V C 0.145 176.304 176.094 0.109 0.000 1.017 199 V CA -0.838 61.534 62.300 0.120 0.000 0.841 199 V CB 2.316 34.165 31.823 0.042 0.000 1.003 199 V HN -0.259 nan 8.190 nan 0.000 0.426 200 V N 4.320 124.328 119.914 0.157 0.000 2.481 200 V HA 0.469 4.608 4.120 0.032 0.000 0.286 200 V C 0.026 176.158 176.094 0.062 0.000 1.042 200 V CA -0.483 61.887 62.300 0.117 0.000 0.928 200 V CB 1.806 33.712 31.823 0.138 0.000 0.986 200 V HN 0.905 nan 8.190 nan 0.000 0.462 201 E N 4.226 124.466 120.200 0.067 0.000 2.220 201 E HA 0.517 4.886 4.350 0.032 0.000 0.256 201 E C -1.276 175.513 176.600 0.314 0.000 0.881 201 E CA -0.403 56.042 56.400 0.076 0.000 0.766 201 E CB 1.873 31.484 29.700 -0.148 0.000 1.187 201 E HN 0.562 nan 8.360 nan 0.000 0.419 202 I N 2.721 123.455 120.570 0.273 0.000 2.392 202 I HA 0.297 4.486 4.170 0.032 0.000 0.295 202 I C -0.386 175.934 176.117 0.337 0.000 0.985 202 I CA -0.593 60.881 61.300 0.290 0.000 1.221 202 I CB 1.046 39.038 38.000 -0.013 0.000 1.366 202 I HN 0.477 nan 8.210 nan 0.000 0.467 203 F N 7.449 127.492 119.950 0.155 0.000 2.329 203 F HA 0.410 4.956 4.527 0.032 0.000 0.362 203 F C -2.075 173.755 175.800 0.050 0.000 1.113 203 F CA -2.498 55.458 58.000 -0.074 0.000 1.212 203 F CB 0.732 39.364 39.000 -0.613 0.000 1.509 203 F HN 0.238 nan 8.300 nan 0.000 0.546 204 P HA -0.084 nan 4.420 nan 0.000 0.264 204 P C 0.182 177.663 177.300 0.302 0.000 1.183 204 P CA 0.384 63.689 63.100 0.341 0.000 0.763 204 P CB 0.976 32.830 31.700 0.256 0.000 0.807 205 A N 2.988 125.953 122.820 0.241 0.000 2.186 205 A HA -0.160 4.179 4.320 0.032 0.000 0.219 205 A C 1.704 179.260 177.584 -0.046 0.000 1.159 205 A CA 2.009 53.995 52.037 -0.085 0.000 0.680 205 A CB -1.111 17.609 19.000 -0.467 0.000 0.787 205 A HN 0.585 nan 8.150 nan 0.000 0.467 206 S N -1.659 114.113 115.700 0.121 0.000 2.540 206 S HA 0.303 4.792 4.470 0.032 0.000 0.218 206 S C 0.652 175.340 174.600 0.146 0.000 0.977 206 S CA -0.628 57.673 58.200 0.168 0.000 0.918 206 S CB 0.353 63.678 63.200 0.208 0.000 0.806 206 S HN 0.425 nan 8.310 nan 0.000 0.496 207 R N 1.593 122.187 120.500 0.158 0.000 2.854 207 R HA 0.464 4.823 4.340 0.032 0.000 0.271 207 R C -1.195 175.219 176.300 0.191 0.000 0.996 207 R CA -0.259 55.944 56.100 0.170 0.000 0.961 207 R CB 1.099 31.529 30.300 0.217 0.000 1.182 207 R HN 0.376 nan 8.270 nan 0.000 0.479 208 D N -1.016 119.492 120.400 0.180 0.000 2.760 208 D HA 0.024 4.683 4.640 0.032 0.000 0.314 208 D C 0.514 177.014 176.300 0.334 0.000 1.464 208 D CA -0.235 53.881 54.000 0.194 0.000 0.797 208 D CB 0.392 41.148 40.800 -0.073 0.000 1.149 208 D HN 0.660 nan 8.370 nan 0.000 0.455 209 E N -0.212 120.129 120.200 0.236 0.000 2.783 209 E HA 0.031 4.400 4.350 0.032 0.000 0.205 209 E C -0.369 176.200 176.600 -0.052 0.000 0.955 209 E CA 0.242 56.629 56.400 -0.021 0.000 1.594 209 E CB 0.435 29.944 29.700 -0.319 0.000 1.686 209 E HN 0.368 nan 8.360 nan 0.000 0.902 210 H N 0.438 119.491 119.070 -0.028 0.000 2.621 210 H HA 0.686 5.261 4.556 0.032 0.000 0.360 210 H C -0.055 175.107 175.328 -0.276 0.000 1.163 210 H CA -0.784 55.194 56.048 -0.116 0.000 1.194 210 H CB 2.025 31.776 29.762 -0.018 0.000 1.649 210 H HN 0.399 nan 8.280 nan 0.000 0.532 211 C N 0.103 119.330 119.300 -0.122 0.000 3.318 211 C HA 0.823 5.302 4.460 0.032 0.000 0.329 211 C C -0.859 174.121 174.990 -0.017 0.000 1.449 211 C CA -0.790 58.144 59.018 -0.141 0.000 1.397 211 C CB 0.799 28.366 27.740 -0.288 0.000 1.810 211 C HN 0.577 nan 8.230 nan 0.000 0.449 212 V N 1.515 121.441 119.914 0.019 0.000 2.495 212 V HA 0.710 4.849 4.120 0.032 0.000 0.298 212 V C -0.175 175.922 176.094 0.005 0.000 1.031 212 V CA -0.232 62.066 62.300 -0.002 0.000 0.871 212 V CB 1.598 33.410 31.823 -0.019 0.000 0.988 212 V HN 0.991 nan 8.190 nan 0.000 0.432 213 R N 3.595 124.079 120.500 -0.027 0.000 2.437 213 R HA 0.753 5.112 4.340 0.032 0.000 0.310 213 R C -1.877 174.382 176.300 -0.068 0.000 0.955 213 R CA -0.366 55.714 56.100 -0.033 0.000 0.851 213 R CB 1.884 32.162 30.300 -0.037 0.000 1.161 213 R HN 0.494 nan 8.270 nan 0.000 0.446 214 V N 4.551 124.421 119.914 -0.074 0.000 2.349 214 V HA 0.303 4.442 4.120 0.032 0.000 0.284 214 V C -0.579 175.405 176.094 -0.184 0.000 1.014 214 V CA -0.721 61.472 62.300 -0.179 0.000 0.826 214 V CB 1.305 33.010 31.823 -0.197 0.000 1.009 214 V HN 0.835 nan 8.190 nan 0.000 0.431 215 E N 4.279 124.359 120.200 -0.200 0.000 2.146 215 E HA 0.537 4.906 4.350 0.032 0.000 0.282 215 E C -1.170 175.339 176.600 -0.152 0.000 0.989 215 E CA -0.324 56.028 56.400 -0.079 0.000 0.799 215 E CB 1.661 31.337 29.700 -0.040 0.000 1.088 215 E HN 0.495 nan 8.360 nan 0.000 0.397 216 F N 1.908 121.878 119.950 0.034 0.000 2.450 216 F HA 0.494 5.040 4.527 0.032 0.000 0.328 216 F C -0.284 175.606 175.800 0.149 0.000 1.068 216 F CA -0.804 57.230 58.000 0.056 0.000 1.007 216 F CB 1.039 40.044 39.000 0.008 0.000 1.251 216 F HN 0.381 nan 8.300 nan 0.000 0.492 217 F N 1.785 121.853 119.950 0.196 0.000 2.941 217 F HA 0.533 5.079 4.527 0.032 0.000 0.359 217 F C 0.080 175.942 175.800 0.102 0.000 1.231 217 F CA -0.155 57.910 58.000 0.108 0.000 1.089 217 F CB 0.548 39.577 39.000 0.049 0.000 1.407 217 F HN 0.740 nan 8.300 nan 0.000 0.538 218 G N 4.940 113.524 108.800 -0.361 0.000 2.574 218 G HA2 -0.273 3.706 3.960 0.032 0.000 0.286 218 G HA3 -0.273 3.706 3.960 0.032 0.000 0.286 218 G C -0.525 174.355 174.900 -0.033 0.000 1.212 218 G CA 0.320 45.257 45.100 -0.272 0.000 0.979 218 G HN 0.621 nan 8.290 nan 0.000 0.557 219 D N 2.282 122.683 120.400 0.002 0.000 2.970 219 D HA 0.435 5.094 4.640 0.032 0.000 0.282 219 D C 0.233 176.623 176.300 0.150 0.000 1.291 219 D CA 0.415 54.463 54.000 0.080 0.000 0.967 219 D CB 0.725 41.528 40.800 0.006 0.000 1.017 219 D HN 0.591 nan 8.370 nan 0.000 0.512 220 E N 1.072 121.418 120.200 0.244 0.000 2.307 220 E HA 0.224 4.594 4.350 0.032 0.000 0.280 220 E C -0.802 175.856 176.600 0.096 0.000 0.900 220 E CA -0.619 55.878 56.400 0.162 0.000 0.790 220 E CB 1.690 31.483 29.700 0.155 0.000 1.261 220 E HN 0.059 nan 8.360 nan 0.000 0.405 221 I N 5.007 125.517 120.570 -0.101 0.000 2.581 221 I HA -0.054 4.135 4.170 0.032 0.000 0.285 221 I C 1.378 177.394 176.117 -0.168 0.000 1.129 221 I CA 0.047 61.130 61.300 -0.361 0.000 1.397 221 I CB 0.576 38.362 38.000 -0.357 0.000 1.399 221 I HN 0.617 nan 8.210 nan 0.000 0.537 222 E N 6.529 126.642 120.200 -0.145 0.000 2.033 222 E HA -0.013 4.356 4.350 0.032 0.000 0.189 222 E C 0.462 177.005 176.600 -0.095 0.000 0.979 222 E CA 1.066 57.423 56.400 -0.072 0.000 0.802 222 E CB 0.183 29.865 29.700 -0.031 0.000 0.763 222 E HN 0.635 nan 8.360 nan 0.000 0.449 223 R N -0.388 120.038 120.500 -0.124 0.000 2.680 223 R HA 0.565 4.924 4.340 0.032 0.000 0.269 223 R C -0.890 175.334 176.300 -0.128 0.000 1.026 223 R CA -0.570 55.468 56.100 -0.104 0.000 0.889 223 R CB 0.743 30.997 30.300 -0.076 0.000 1.241 223 R HN -0.148 nan 8.270 nan 0.000 0.463 224 I N 1.839 122.345 120.570 -0.106 0.000 2.389 224 I HA 0.500 4.689 4.170 0.032 0.000 0.288 224 I C -0.255 175.817 176.117 -0.076 0.000 0.999 224 I CA -0.935 60.302 61.300 -0.104 0.000 1.129 224 I CB 1.917 39.852 38.000 -0.109 0.000 1.288 224 I HN 0.459 nan 8.210 nan 0.000 0.444 225 R N 3.736 124.195 120.500 -0.069 0.000 2.832 225 R HA 0.508 4.867 4.340 0.032 0.000 0.271 225 R C -0.744 175.524 176.300 -0.053 0.000 0.996 225 R CA -0.735 55.331 56.100 -0.057 0.000 0.977 225 R CB 2.058 32.328 30.300 -0.051 0.000 1.168 225 R HN 0.529 nan 8.270 nan 0.000 0.482 226 E N 1.549 121.715 120.200 -0.057 0.000 2.156 226 E HA 0.336 4.705 4.350 0.032 0.000 0.279 226 E C -1.075 175.482 176.600 -0.072 0.000 0.965 226 E CA -0.629 55.733 56.400 -0.064 0.000 0.789 226 E CB 1.873 31.521 29.700 -0.087 0.000 1.098 226 E HN 0.333 nan 8.360 nan 0.000 0.397 227 V N 0.428 120.311 119.914 -0.052 0.000 2.962 227 V HA 0.425 4.564 4.120 0.032 0.000 0.313 227 V C -0.447 175.642 176.094 -0.009 0.000 1.099 227 V CA -1.079 61.199 62.300 -0.037 0.000 0.971 227 V CB 2.099 33.907 31.823 -0.026 0.000 1.028 227 V HN 0.606 nan 8.190 nan 0.000 0.430 228 D N 2.264 122.675 120.400 0.018 0.000 2.348 228 D HA 0.434 5.094 4.640 0.032 0.000 0.253 228 D C 0.978 177.303 176.300 0.042 0.000 1.161 228 D CA 0.601 54.642 54.000 0.070 0.000 0.876 228 D CB 2.129 42.974 40.800 0.076 0.000 1.160 228 D HN 0.897 nan 8.370 nan 0.000 0.459 229 A N 4.330 127.160 122.820 0.017 0.000 1.872 229 A HA -0.058 4.281 4.320 0.032 0.000 0.214 229 A C 2.651 180.337 177.584 0.169 0.000 1.187 229 A CA 1.864 53.932 52.037 0.052 0.000 0.614 229 A CB -1.124 17.753 19.000 -0.205 0.000 0.826 229 A HN 0.644 nan 8.150 nan 0.000 0.442 230 L N -1.054 120.258 121.223 0.149 0.000 2.012 230 L HA -0.116 4.244 4.340 0.032 0.000 0.210 230 L C 2.709 179.633 176.870 0.090 0.000 1.073 230 L CA 3.260 58.179 54.840 0.132 0.000 0.748 230 L CB -2.163 39.962 42.059 0.110 0.000 0.891 230 L HN 0.537 nan 8.230 nan 0.000 0.431 231 T N -2.012 112.583 114.554 0.069 0.000 2.988 231 T HA 0.422 4.791 4.350 0.032 0.000 0.240 231 T C 1.663 176.381 174.700 0.030 0.000 1.014 231 T CA 1.285 63.413 62.100 0.046 0.000 1.155 231 T CB 0.090 68.982 68.868 0.040 0.000 0.872 231 T HN 1.724 nan 8.240 nan 0.000 0.440 232 G N 1.945 110.760 108.800 0.025 0.000 2.163 232 G HA2 -0.195 3.784 3.960 0.032 0.000 0.213 232 G HA3 -0.195 3.784 3.960 0.032 0.000 0.213 232 G C -0.092 174.807 174.900 -0.001 0.000 0.991 232 G CA 0.063 45.167 45.100 0.006 0.000 0.653 232 G HN 0.671 nan 8.290 nan 0.000 0.518 233 E N 0.743 120.946 120.200 0.006 0.000 2.344 233 E HA 0.409 4.778 4.350 0.032 0.000 0.270 233 E C 0.324 176.915 176.600 -0.015 0.000 1.021 233 E CA -0.586 55.813 56.400 -0.001 0.000 0.887 233 E CB 0.267 29.972 29.700 0.009 0.000 0.997 233 E HN 0.379 nan 8.360 nan 0.000 0.429 234 I N 5.717 126.274 120.570 -0.023 0.000 2.395 234 I HA 0.010 4.199 4.170 0.032 0.000 0.289 234 I C 0.941 177.030 176.117 -0.047 0.000 1.023 234 I CA -0.175 61.103 61.300 -0.036 0.000 1.350 234 I CB 0.907 38.888 38.000 -0.032 0.000 1.409 234 I HN 0.654 nan 8.210 nan 0.000 0.507 235 L N 5.136 126.317 121.223 -0.070 0.000 2.500 235 L HA 0.483 4.842 4.340 0.032 0.000 0.219 235 L C 0.892 177.716 176.870 -0.077 0.000 1.057 235 L CA -0.025 54.760 54.840 -0.093 0.000 0.854 235 L CB 0.065 42.019 42.059 -0.175 0.000 1.078 235 L HN 0.779 nan 8.230 nan 0.000 0.480 236 G N -0.603 108.156 108.800 -0.068 0.000 2.473 236 G HA2 0.265 4.244 3.960 0.032 0.000 0.298 236 G HA3 0.265 4.244 3.960 0.032 0.000 0.298 236 G C -2.115 172.757 174.900 -0.047 0.000 1.575 236 G CA -0.688 44.380 45.100 -0.053 0.000 0.846 236 G HN -0.211 nan 8.290 nan 0.000 0.585 237 D N 0.384 120.761 120.400 -0.039 0.000 2.313 237 D HA 0.658 5.317 4.640 0.032 0.000 0.247 237 D C 0.457 176.738 176.300 -0.032 0.000 1.094 237 D CA 0.084 54.062 54.000 -0.038 0.000 0.925 237 D CB 0.845 41.624 40.800 -0.035 0.000 1.188 237 D HN 0.231 nan 8.370 nan 0.000 0.430 238 R N 0.995 121.474 120.500 -0.035 0.000 2.725 238 R HA 0.239 4.598 4.340 0.032 0.000 0.277 238 R C -0.538 175.750 176.300 -0.020 0.000 0.987 238 R CA -0.548 55.537 56.100 -0.024 0.000 0.901 238 R CB 1.602 31.878 30.300 -0.041 0.000 1.207 238 R HN 0.493 nan 8.270 nan 0.000 0.463 239 D N -1.117 119.288 120.400 0.009 0.000 2.417 239 D HA 0.025 4.684 4.640 0.032 0.000 0.207 239 D C 0.279 176.625 176.300 0.076 0.000 1.075 239 D CA 0.520 54.531 54.000 0.019 0.000 0.851 239 D CB 0.575 41.387 40.800 0.019 0.000 0.976 239 D HN 0.491 nan 8.370 nan 0.000 0.505 240 H N -0.483 118.565 119.070 -0.037 0.000 2.894 240 H HA 0.564 5.139 4.556 0.032 0.000 0.367 240 H C -1.954 173.354 175.328 -0.035 0.000 1.144 240 H CA -0.780 55.244 56.048 -0.040 0.000 1.180 240 H CB 2.436 32.179 29.762 -0.031 0.000 1.758 240 H HN -0.222 nan 8.280 nan 0.000 0.541 241 V N 2.987 122.499 119.914 -0.671 0.000 2.623 241 V HA 0.469 4.608 4.120 0.032 0.000 0.304 241 V C -0.349 175.345 176.094 -0.666 0.000 1.054 241 V CA -0.648 61.322 62.300 -0.549 0.000 0.882 241 V CB 1.390 33.059 31.823 -0.256 0.000 1.002 241 V HN 0.892 nan 8.190 nan 0.000 0.424 242 A N 6.469 128.985 122.820 -0.506 0.000 2.252 242 A HA 0.789 5.128 4.320 0.032 0.000 0.309 242 A C -0.489 176.900 177.584 -0.325 0.000 1.285 242 A CA -0.400 51.383 52.037 -0.424 0.000 0.900 242 A CB 0.162 18.918 19.000 -0.407 0.000 1.157 242 A HN 0.613 nan 8.150 nan 0.000 0.536 243 I N 3.041 123.408 120.570 -0.339 0.000 2.331 243 I HA 0.355 4.544 4.170 0.032 0.000 0.292 243 I C -0.543 175.414 176.117 -0.267 0.000 0.998 243 I CA -0.175 61.016 61.300 -0.181 0.000 1.267 243 I CB 0.327 38.209 38.000 -0.196 0.000 1.386 243 I HN 0.474 nan 8.210 nan 0.000 0.476 244 F N 6.281 126.238 119.950 0.011 0.000 2.450 244 F HA 0.496 5.043 4.527 0.033 0.000 0.328 244 F C -1.893 173.936 175.800 0.049 0.000 1.068 244 F CA -2.325 55.612 58.000 -0.104 0.000 1.007 244 F CB 0.522 39.442 39.000 -0.132 0.000 1.251 244 F HN 0.255 nan 8.300 nan 0.000 0.492 245 P HA 0.056 nan 4.420 nan 0.000 0.265 245 P C -0.354 176.997 177.300 0.085 0.000 1.193 245 P CA 0.200 63.382 63.100 0.138 0.000 0.765 245 P CB 0.729 32.516 31.700 0.145 0.000 0.823 246 A N 2.086 124.722 122.820 -0.306 0.000 2.235 246 A HA 0.173 4.513 4.320 0.032 0.000 0.208 246 A C 0.831 178.216 177.584 -0.332 0.000 1.172 246 A CA 0.921 52.591 52.037 -0.611 0.000 0.786 246 A CB -0.546 17.715 19.000 -1.232 0.000 0.804 246 A HN 0.530 nan 8.150 nan 0.000 0.479 247 S N -2.294 113.392 115.700 -0.025 0.000 2.541 247 S HA 0.457 4.946 4.470 0.032 0.000 0.271 247 S C -0.122 174.611 174.600 0.221 0.000 1.133 247 S CA -0.549 57.737 58.200 0.143 0.000 0.876 247 S CB 0.595 63.849 63.200 0.090 0.000 1.105 247 S HN 0.378 nan 8.310 nan 0.000 0.470 248 H N 1.598 120.860 119.070 0.319 0.000 2.547 248 H HA 0.326 4.903 4.556 0.035 0.000 0.266 248 H C 0.297 175.748 175.328 0.206 0.000 0.988 248 H CA 1.387 57.552 56.048 0.196 0.000 1.147 248 H CB 0.141 29.898 29.762 -0.009 0.000 1.365 248 H HN 0.526 nan 8.280 nan 0.000 0.589 249 F N 0.749 120.882 119.950 0.304 0.000 3.361 249 F HA 0.479 5.025 4.527 0.032 0.000 0.390 249 F C -1.306 174.622 175.800 0.213 0.000 1.251 249 F CA -1.139 57.012 58.000 0.253 0.000 1.260 249 F CB 0.224 39.370 39.000 0.243 0.000 1.847 249 F HN 0.023 nan 8.300 nan 0.000 0.673 250 V N 1.894 121.923 119.914 0.193 0.000 2.417 250 V HA 0.844 4.983 4.120 0.032 0.000 0.291 250 V C -0.186 175.991 176.094 0.138 0.000 1.024 250 V CA -0.266 62.127 62.300 0.154 0.000 0.861 250 V CB 1.501 33.403 31.823 0.133 0.000 0.985 250 V HN 0.941 nan 8.190 nan 0.000 0.436 251 T N 6.984 121.615 114.554 0.128 0.000 2.758 251 T HA 0.556 4.926 4.350 0.032 0.000 0.285 251 T C -0.012 174.742 174.700 0.090 0.000 0.981 251 T CA -0.427 61.739 62.100 0.111 0.000 0.965 251 T CB 0.886 69.821 68.868 0.111 0.000 0.927 251 T HN 0.841 nan 8.240 nan 0.000 0.448 252 R N 1.324 121.870 120.500 0.077 0.000 2.582 252 R HA 0.470 4.829 4.340 0.032 0.000 0.271 252 R C 1.687 178.020 176.300 0.055 0.000 1.078 252 R CA -0.246 55.891 56.100 0.062 0.000 1.127 252 R CB 0.286 30.618 30.300 0.053 0.000 1.038 252 R HN 0.783 nan 8.270 nan 0.000 0.500 253 A N 2.382 125.230 122.820 0.046 0.000 1.997 253 A HA -0.302 4.037 4.320 0.032 0.000 0.221 253 A C 2.295 179.898 177.584 0.032 0.000 1.172 253 A CA 2.353 54.412 52.037 0.037 0.000 0.645 253 A CB -0.995 18.023 19.000 0.031 0.000 0.813 253 A HN 0.908 nan 8.150 nan 0.000 0.454 254 E N -0.798 119.422 120.200 0.033 0.000 2.046 254 E HA -0.119 4.250 4.350 0.032 0.000 0.190 254 E C 2.300 178.922 176.600 0.037 0.000 0.982 254 E CA 2.521 58.939 56.400 0.030 0.000 0.800 254 E CB -1.266 28.452 29.700 0.029 0.000 0.756 254 E HN 0.891 nan 8.360 nan 0.000 0.449 255 K N 0.067 120.494 120.400 0.046 0.000 2.063 255 K HA 0.002 4.341 4.320 0.032 0.000 0.208 255 K C 2.302 178.935 176.600 0.054 0.000 1.048 255 K CA 2.170 58.491 56.287 0.057 0.000 0.928 255 K CB -0.813 31.730 32.500 0.070 0.000 0.713 255 K HN 0.514 nan 8.250 nan 0.000 0.442 256 M N 0.819 120.447 119.600 0.047 0.000 2.159 256 M HA -0.077 4.422 4.480 0.032 0.000 0.263 256 M C 2.379 178.687 176.300 0.014 0.000 1.063 256 M CA 2.547 57.867 55.300 0.034 0.000 1.110 256 M CB -0.220 32.400 32.600 0.033 0.000 1.374 256 M HN 0.544 nan 8.290 nan 0.000 0.411 257 E N 0.900 121.109 120.200 0.014 0.000 2.077 257 E HA -0.242 4.127 4.350 0.032 0.000 0.193 257 E C 1.864 178.466 176.600 0.004 0.000 0.989 257 E CA 2.058 58.459 56.400 0.003 0.000 0.800 257 E CB -1.042 28.662 29.700 0.007 0.000 0.746 257 E HN 0.796 nan 8.360 nan 0.000 0.452 258 K N -0.146 120.267 120.400 0.021 0.000 2.211 258 K HA 0.171 4.510 4.320 0.032 0.000 0.203 258 K C 2.572 179.194 176.600 0.037 0.000 1.050 258 K CA 0.811 57.116 56.287 0.030 0.000 0.945 258 K CB -0.022 32.504 32.500 0.043 0.000 0.732 258 K HN 0.347 nan 8.250 nan 0.000 0.451 259 A N 1.674 124.517 122.820 0.038 0.000 1.872 259 A HA -0.068 4.271 4.320 0.032 0.000 0.214 259 A C 2.128 179.688 177.584 -0.039 0.000 1.187 259 A CA 0.954 53.021 52.037 0.049 0.000 0.614 259 A CB -0.492 18.550 19.000 0.070 0.000 0.826 259 A HN 0.136 nan 8.150 nan 0.000 0.442 260 I N -0.670 119.863 120.570 -0.062 0.000 2.264 260 I HA -0.318 3.871 4.170 0.032 0.000 0.248 260 I C 2.741 178.808 176.117 -0.083 0.000 1.111 260 I CA 1.616 62.851 61.300 -0.107 0.000 1.382 260 I CB -0.344 37.599 38.000 -0.096 0.000 1.060 260 I HN 0.391 nan 8.210 nan 0.000 0.418 261 Q N 0.991 120.766 119.800 -0.041 0.000 2.014 261 Q HA -0.235 4.124 4.340 0.032 0.000 0.207 261 Q C 2.008 177.996 176.000 -0.020 0.000 0.993 261 Q CA 2.106 57.897 55.803 -0.021 0.000 0.850 261 Q CB -0.073 28.667 28.738 0.004 0.000 0.916 261 Q HN 0.413 nan 8.270 nan 0.000 0.417 262 N N -0.400 118.300 118.700 0.001 0.000 2.244 262 N HA -0.098 4.662 4.740 0.032 0.000 0.183 262 N C 1.576 177.057 175.510 -0.048 0.000 1.016 262 N CA 1.012 54.090 53.050 0.047 0.000 0.866 262 N CB -0.128 38.470 38.487 0.186 0.000 0.980 262 N HN 0.291 nan 8.380 nan 0.000 0.430 263 I N 1.087 121.513 120.570 -0.240 0.000 2.252 263 I HA -0.203 3.987 4.170 0.032 0.000 0.245 263 I C 1.967 178.013 176.117 -0.117 0.000 1.102 263 I CA 1.062 62.165 61.300 -0.328 0.000 1.385 263 I CB -0.162 37.621 38.000 -0.362 0.000 1.064 263 I HN 0.110 nan 8.210 nan 0.000 0.414 264 E N 0.567 120.717 120.200 -0.083 0.000 2.077 264 E HA -0.287 4.082 4.350 0.032 0.000 0.193 264 E C 2.049 178.640 176.600 -0.016 0.000 0.989 264 E CA 1.216 57.591 56.400 -0.042 0.000 0.800 264 E CB -0.005 29.672 29.700 -0.038 0.000 0.746 264 E HN 0.185 nan 8.360 nan 0.000 0.452 265 K N 1.368 121.766 120.400 -0.003 0.000 2.025 265 K HA -0.166 4.173 4.320 0.032 0.000 0.207 265 K C 1.909 178.529 176.600 0.035 0.000 1.049 265 K CA 1.505 57.803 56.287 0.019 0.000 0.933 265 K CB -0.128 32.390 32.500 0.031 0.000 0.714 265 K HN 0.026 nan 8.250 nan 0.000 0.438 266 E N -0.124 120.109 120.200 0.056 0.000 2.097 266 E HA -0.233 4.136 4.350 0.032 0.000 0.196 266 E C 1.880 178.512 176.600 0.053 0.000 1.000 266 E CA 1.553 58.002 56.400 0.082 0.000 0.804 266 E CB -0.175 29.615 29.700 0.150 0.000 0.740 266 E HN 0.267 nan 8.360 nan 0.000 0.454 267 L N 1.274 122.516 121.223 0.030 0.000 2.056 267 L HA -0.145 4.214 4.340 0.032 0.000 0.207 267 L C 1.885 178.762 176.870 0.012 0.000 1.078 267 L CA 1.869 56.721 54.840 0.021 0.000 0.749 267 L CB -0.262 41.802 42.059 0.009 0.000 0.901 267 L HN 0.058 nan 8.230 nan 0.000 0.433 268 E N -0.750 119.455 120.200 0.007 0.000 2.072 268 E HA -0.182 4.187 4.350 0.032 0.000 0.191 268 E C 2.071 178.677 176.600 0.011 0.000 0.985 268 E CA 1.021 57.422 56.400 0.000 0.000 0.801 268 E CB -0.029 29.669 29.700 -0.003 0.000 0.750 268 E HN 0.419 nan 8.360 nan 0.000 0.452 269 E N 0.431 120.645 120.200 0.023 0.000 2.110 269 E HA -0.215 4.154 4.350 0.032 0.000 0.193 269 E C 1.994 178.614 176.600 0.033 0.000 0.988 269 E CA 1.028 57.446 56.400 0.030 0.000 0.804 269 E CB -0.029 29.693 29.700 0.037 0.000 0.745 269 E HN 0.162 nan 8.360 nan 0.000 0.458 270 Q N -0.040 119.778 119.800 0.031 0.000 2.137 270 Q HA -0.053 4.307 4.340 0.032 0.000 0.198 270 Q C 1.925 177.941 176.000 0.027 0.000 0.960 270 Q CA 0.610 56.430 55.803 0.029 0.000 0.847 270 Q CB -0.084 28.671 28.738 0.028 0.000 0.915 270 Q HN 0.101 nan 8.270 nan 0.000 0.448 271 L N 0.658 121.893 121.223 0.021 0.000 2.046 271 L HA -0.110 4.249 4.340 0.032 0.000 0.208 271 L C 2.002 178.913 176.870 0.070 0.000 1.077 271 L CA 1.769 56.621 54.840 0.020 0.000 0.747 271 L CB -0.883 41.168 42.059 -0.014 0.000 0.896 271 L HN 0.188 nan 8.230 nan 0.000 0.432 272 K N -1.038 119.406 120.400 0.073 0.000 2.077 272 K HA -0.207 4.132 4.320 0.032 0.000 0.213 272 K C 1.968 178.680 176.600 0.188 0.000 1.051 272 K CA 1.749 58.137 56.287 0.169 0.000 0.929 272 K CB -0.313 32.243 32.500 0.093 0.000 0.715 272 K HN 0.161 nan 8.250 nan 0.000 0.451 273 V N 0.882 120.847 119.914 0.086 0.000 2.488 273 V HA -0.185 3.954 4.120 0.032 0.000 0.246 273 V C 2.068 178.173 176.094 0.018 0.000 1.046 273 V CA 1.485 63.809 62.300 0.039 0.000 1.053 273 V CB -0.318 31.520 31.823 0.025 0.000 0.679 273 V HN 0.334 nan 8.190 nan 0.000 0.458 274 M N 0.099 119.718 119.600 0.032 0.000 2.156 274 M HA -0.105 4.395 4.480 0.032 0.000 0.264 274 M C 2.311 178.625 176.300 0.022 0.000 1.067 274 M CA 2.287 57.593 55.300 0.010 0.000 1.131 274 M CB -0.744 31.857 32.600 0.001 0.000 1.368 274 M HN 0.637 nan 8.290 nan 0.000 0.416 275 H N 0.323 119.376 119.070 -0.029 0.000 2.321 275 H HA -0.077 4.498 4.556 0.031 0.000 0.300 275 H C 1.714 177.029 175.328 -0.021 0.000 1.087 275 H CA 1.954 57.986 56.048 -0.026 0.000 1.319 275 H CB -0.298 29.450 29.762 -0.023 0.000 1.379 275 H HN 0.370 nan 8.280 nan 0.000 0.501 276 E N -0.151 119.773 120.200 -0.460 0.000 2.233 276 E HA -0.197 4.173 4.350 0.032 0.000 0.199 276 E C 0.820 177.305 176.600 -0.193 0.000 1.004 276 E CA 1.434 57.618 56.400 -0.361 0.000 0.819 276 E CB -0.017 29.591 29.700 -0.154 0.000 0.738 276 E HN 0.633 nan 8.360 nan 0.000 0.478 277 N N -1.470 117.157 118.700 -0.122 0.000 2.214 277 N HA 0.140 4.900 4.740 0.032 0.000 0.214 277 N C -0.006 175.460 175.510 -0.072 0.000 1.132 277 N CA 0.544 53.545 53.050 -0.081 0.000 0.856 277 N CB 1.657 40.112 38.487 -0.054 0.000 1.020 277 N HN 0.143 nan 8.380 nan 0.000 0.509 278 G N 1.290 110.039 108.800 -0.085 0.000 2.249 278 G HA2 -0.311 3.669 3.960 0.032 0.000 0.273 278 G HA3 -0.311 3.669 3.960 0.032 0.000 0.273 278 G C -0.269 174.606 174.900 -0.043 0.000 1.036 278 G CA -0.011 45.054 45.100 -0.058 0.000 0.824 278 G HN 0.252 nan 8.290 nan 0.000 0.504 279 K N 0.161 120.535 120.400 -0.043 0.000 2.363 279 K HA 0.382 4.721 4.320 0.032 0.000 0.240 279 K C 1.140 177.716 176.600 -0.039 0.000 1.169 279 K CA -0.579 55.678 56.287 -0.051 0.000 1.131 279 K CB 0.721 33.183 32.500 -0.064 0.000 1.771 279 K HN 0.175 nan 8.250 nan 0.000 0.380 280 L N 1.259 122.464 121.223 -0.030 0.000 2.049 280 L HA -0.109 4.250 4.340 0.032 0.000 0.203 280 L C 2.074 178.918 176.870 -0.044 0.000 1.074 280 L CA 1.223 56.051 54.840 -0.019 0.000 0.749 280 L CB -0.674 41.381 42.059 -0.008 0.000 0.907 280 L HN 0.497 nan 8.230 nan 0.000 0.439 281 L N -0.098 121.094 121.223 -0.052 0.000 1.990 281 L HA -0.280 4.079 4.340 0.032 0.000 0.213 281 L C 2.458 179.256 176.870 -0.120 0.000 1.072 281 L CA 2.050 56.846 54.840 -0.074 0.000 0.755 281 L CB -0.612 41.413 42.059 -0.055 0.000 0.889 281 L HN 0.330 nan 8.230 nan 0.000 0.432 282 E N 0.359 120.483 120.200 -0.127 0.000 2.118 282 E HA -0.176 4.194 4.350 0.032 0.000 0.195 282 E C 2.135 178.642 176.600 -0.156 0.000 0.992 282 E CA 1.553 57.849 56.400 -0.173 0.000 0.804 282 E CB -0.474 29.132 29.700 -0.156 0.000 0.741 282 E HN 0.626 nan 8.360 nan 0.000 0.458 283 A N 0.540 123.301 122.820 -0.099 0.000 1.968 283 A HA -0.143 4.196 4.320 0.032 0.000 0.217 283 A C 2.388 179.920 177.584 -0.085 0.000 1.169 283 A CA 1.942 53.935 52.037 -0.073 0.000 0.638 283 A CB -1.014 17.970 19.000 -0.027 0.000 0.812 283 A HN 0.309 nan 8.150 nan 0.000 0.446 284 Q N 0.227 119.972 119.800 -0.093 0.000 2.020 284 Q HA -0.211 4.148 4.340 0.032 0.000 0.202 284 Q C 2.292 178.219 176.000 -0.122 0.000 0.982 284 Q CA 2.155 57.903 55.803 -0.091 0.000 0.838 284 Q CB -0.804 27.883 28.738 -0.085 0.000 0.899 284 Q HN 0.819 nan 8.270 nan 0.000 0.423 285 R N -0.542 119.848 120.500 -0.183 0.000 2.073 285 R HA -0.088 4.271 4.340 0.032 0.000 0.234 285 R C 2.352 178.514 176.300 -0.230 0.000 1.134 285 R CA 1.674 57.615 56.100 -0.265 0.000 0.952 285 R CB -0.498 29.532 30.300 -0.450 0.000 0.850 285 R HN 0.460 nan 8.270 nan 0.000 0.433 286 L N 1.730 122.835 121.223 -0.197 0.000 1.990 286 L HA -0.223 4.136 4.340 0.032 0.000 0.213 286 L C 2.357 179.187 176.870 -0.067 0.000 1.072 286 L CA 2.537 57.301 54.840 -0.126 0.000 0.755 286 L CB -0.772 41.236 42.059 -0.086 0.000 0.889 286 L HN 0.418 nan 8.230 nan 0.000 0.432 287 E N -1.312 118.851 120.200 -0.062 0.000 2.047 287 E HA -0.264 4.105 4.350 0.032 0.000 0.191 287 E C 2.102 178.688 176.600 -0.024 0.000 0.987 287 E CA 1.313 57.692 56.400 -0.035 0.000 0.799 287 E CB -0.269 29.407 29.700 -0.039 0.000 0.752 287 E HN 0.672 nan 8.360 nan 0.000 0.449 288 Q N 0.129 119.900 119.800 -0.048 0.000 2.062 288 Q HA -0.231 4.128 4.340 0.032 0.000 0.209 288 Q C 2.446 178.448 176.000 0.004 0.000 0.996 288 Q CA 2.206 57.986 55.803 -0.037 0.000 0.859 288 Q CB -0.162 28.529 28.738 -0.078 0.000 0.920 288 Q HN 0.279 nan 8.270 nan 0.000 0.415 289 R N -0.374 120.117 120.500 -0.016 0.000 2.062 289 R HA -0.061 4.298 4.340 0.032 0.000 0.231 289 R C 2.447 178.815 176.300 0.113 0.000 1.136 289 R CA 1.729 57.856 56.100 0.045 0.000 0.948 289 R CB -0.541 29.755 30.300 -0.007 0.000 0.845 289 R HN 0.242 nan 8.270 nan 0.000 0.430 290 T N 0.933 115.538 114.554 0.085 0.000 2.803 290 T HA -0.114 4.255 4.350 0.032 0.000 0.269 290 T C 1.812 176.547 174.700 0.058 0.000 1.052 290 T CA 1.129 63.298 62.100 0.115 0.000 1.136 290 T CB -0.126 68.797 68.868 0.091 0.000 0.864 290 T HN 0.248 nan 8.240 nan 0.000 0.467 291 R N -0.515 120.016 120.500 0.051 0.000 2.073 291 R HA -0.018 4.341 4.340 0.032 0.000 0.229 291 R C 2.300 178.643 176.300 0.071 0.000 1.120 291 R CA 1.013 57.135 56.100 0.037 0.000 0.967 291 R CB -0.442 29.876 30.300 0.030 0.000 0.862 291 R HN 0.383 nan 8.270 nan 0.000 0.436 292 Y N 2.381 122.670 120.300 -0.019 0.000 2.128 292 Y HA -0.263 4.306 4.550 0.031 0.000 0.284 292 Y C 1.766 177.652 175.900 -0.022 0.000 1.154 292 Y CA 1.667 59.759 58.100 -0.013 0.000 1.149 292 Y CB -0.397 38.063 38.460 0.001 0.000 0.976 292 Y HN 0.022 nan 8.280 nan 0.000 0.505 293 D N -0.054 120.339 120.400 -0.011 0.000 2.158 293 D HA -0.211 4.449 4.640 0.032 0.000 0.197 293 D C 2.327 178.466 176.300 -0.268 0.000 0.995 293 D CA 1.556 55.474 54.000 -0.138 0.000 0.846 293 D CB -0.418 40.389 40.800 0.011 0.000 0.941 293 D HN 0.394 nan 8.370 nan 0.000 0.456 294 L N 0.376 121.475 121.223 -0.208 0.000 2.072 294 L HA -0.125 4.234 4.340 0.032 0.000 0.205 294 L C 2.853 179.616 176.870 -0.178 0.000 1.079 294 L CA 1.528 56.241 54.840 -0.211 0.000 0.752 294 L CB -0.652 41.319 42.059 -0.147 0.000 0.906 294 L HN 0.068 nan 8.230 nan 0.000 0.436 295 E N -0.008 120.094 120.200 -0.164 0.000 2.038 295 E HA -0.287 4.082 4.350 0.032 0.000 0.195 295 E C 1.973 178.463 176.600 -0.184 0.000 1.000 295 E CA 1.842 58.157 56.400 -0.142 0.000 0.803 295 E CB -0.705 28.934 29.700 -0.101 0.000 0.750 295 E HN 0.267 nan 8.360 nan 0.000 0.448 296 M N -0.641 118.774 119.600 -0.309 0.000 2.267 296 M HA 0.040 4.539 4.480 0.032 0.000 0.263 296 M C 2.411 178.619 176.300 -0.153 0.000 1.063 296 M CA 1.305 56.444 55.300 -0.268 0.000 1.090 296 M CB -0.701 31.665 32.600 -0.389 0.000 1.392 296 M HN 0.376 nan 8.290 nan 0.000 0.422 297 M N -1.329 118.167 119.600 -0.173 0.000 2.447 297 M HA -0.097 4.402 4.480 0.032 0.000 0.264 297 M C 2.066 178.319 176.300 -0.080 0.000 1.095 297 M CA 0.908 56.130 55.300 -0.130 0.000 1.125 297 M CB -0.015 32.467 32.600 -0.197 0.000 1.389 297 M HN 0.195 nan 8.290 nan 0.000 0.459 298 R N -0.151 120.299 120.500 -0.083 0.000 2.075 298 R HA -0.056 4.304 4.340 0.032 0.000 0.226 298 R C 1.817 178.098 176.300 -0.032 0.000 1.114 298 R CA 1.040 57.109 56.100 -0.052 0.000 0.972 298 R CB -0.159 30.110 30.300 -0.052 0.000 0.869 298 R HN 0.450 nan 8.270 nan 0.000 0.437 299 E N -0.102 120.074 120.200 -0.039 0.000 2.046 299 E HA -0.071 4.299 4.350 0.032 0.000 0.190 299 E C 1.537 178.136 176.600 -0.002 0.000 0.982 299 E CA 0.972 57.359 56.400 -0.021 0.000 0.800 299 E CB 0.235 29.918 29.700 -0.028 0.000 0.756 299 E HN 0.149 nan 8.360 nan 0.000 0.449 300 M N -1.704 117.900 119.600 0.007 0.000 2.304 300 M HA 0.218 4.717 4.480 0.032 0.000 0.281 300 M C 1.022 177.372 176.300 0.084 0.000 1.014 300 M CA 0.488 55.818 55.300 0.050 0.000 1.054 300 M CB 0.522 33.175 32.600 0.088 0.000 1.551 300 M HN 0.166 nan 8.290 nan 0.000 0.548 301 G N 2.200 111.034 108.800 0.057 0.000 2.356 301 G HA2 -0.287 3.692 3.960 0.032 0.000 0.296 301 G HA3 -0.287 3.692 3.960 0.032 0.000 0.296 301 G C -0.239 174.771 174.900 0.185 0.000 1.022 301 G CA 0.524 45.669 45.100 0.075 0.000 0.961 301 G HN 0.442 nan 8.290 nan 0.000 0.510 302 F N -0.480 119.452 119.950 -0.029 0.000 2.690 302 F HA 0.524 5.070 4.527 0.032 0.000 0.311 302 F C -0.054 175.728 175.800 -0.031 0.000 1.111 302 F CA -0.396 57.599 58.000 -0.009 0.000 1.003 302 F CB 0.890 39.895 39.000 0.009 0.000 1.283 302 F HN 0.832 nan 8.300 nan 0.000 0.442 303 C N 2.109 121.006 119.300 -0.671 0.000 3.239 303 C HA 0.833 5.312 4.460 0.032 0.000 0.317 303 C C -0.158 174.450 174.990 -0.636 0.000 1.310 303 C CA -0.816 57.952 59.018 -0.416 0.000 1.371 303 C CB 0.904 28.501 27.740 -0.239 0.000 1.714 303 C HN 1.089 nan 8.230 nan 0.000 0.473 304 S N 0.353 115.941 115.700 -0.188 0.000 2.576 304 S HA 0.438 4.927 4.470 0.032 0.000 0.272 304 S C 1.538 176.122 174.600 -0.027 0.000 1.352 304 S CA 1.643 59.809 58.200 -0.056 0.000 1.021 304 S CB -0.040 63.223 63.200 0.105 0.000 0.887 304 S HN 2.948 nan 8.310 nan 0.000 0.542 305 G N 3.063 111.886 108.800 0.039 0.000 2.187 305 G HA2 -0.290 3.690 3.960 0.032 0.000 0.261 305 G HA3 -0.290 3.690 3.960 0.032 0.000 0.261 305 G C 0.634 175.602 174.900 0.112 0.000 1.000 305 G CA 0.588 45.741 45.100 0.089 0.000 0.718 305 G HN 0.916 nan 8.290 nan 0.000 0.519 306 I N 0.729 121.308 120.570 0.015 0.000 2.335 306 I HA -0.210 3.979 4.170 0.032 0.000 0.251 306 I C 2.706 178.945 176.117 0.204 0.000 1.129 306 I CA 2.294 63.643 61.300 0.082 0.000 1.402 306 I CB -0.006 37.854 38.000 -0.234 0.000 1.069 306 I HN 0.495 nan 8.210 nan 0.000 0.424 307 E N 0.339 120.628 120.200 0.148 0.000 2.265 307 E HA -0.266 4.103 4.350 0.032 0.000 0.196 307 E C 1.358 178.026 176.600 0.112 0.000 0.996 307 E CA 1.609 58.104 56.400 0.158 0.000 0.832 307 E CB -1.030 28.778 29.700 0.179 0.000 0.756 307 E HN 0.607 nan 8.360 nan 0.000 0.491 308 N N -0.184 118.535 118.700 0.032 0.000 2.453 308 N HA -0.096 4.663 4.740 0.032 0.000 0.183 308 N C 0.505 175.902 175.510 -0.189 0.000 1.041 308 N CA 0.887 53.855 53.050 -0.137 0.000 0.900 308 N CB -0.194 38.103 38.487 -0.317 0.000 0.961 308 N HN 0.270 nan 8.380 nan 0.000 0.443 309 Y N -0.536 119.827 120.300 0.105 0.000 2.485 309 Y HA 0.184 4.756 4.550 0.036 0.000 0.260 309 Y C 2.112 178.108 175.900 0.161 0.000 1.173 309 Y CA -0.403 57.787 58.100 0.149 0.000 1.252 309 Y CB 0.002 38.514 38.460 0.086 0.000 1.123 309 Y HN 0.077 nan 8.280 nan 0.000 0.524 310 S N 0.935 116.772 115.700 0.228 0.000 2.368 310 S HA -0.319 4.170 4.470 0.032 0.000 0.226 310 S C 2.289 176.989 174.600 0.166 0.000 1.044 310 S CA 1.465 59.779 58.200 0.190 0.000 1.062 310 S CB -0.313 62.981 63.200 0.157 0.000 0.931 310 S HN 0.452 nan 8.310 nan 0.000 0.440 311 R N 0.724 121.287 120.500 0.105 0.000 2.105 311 R HA -0.157 4.202 4.340 0.032 0.000 0.239 311 R C 2.231 178.544 176.300 0.022 0.000 1.135 311 R CA 1.947 58.064 56.100 0.028 0.000 0.967 311 R CB -1.045 29.216 30.300 -0.064 0.000 0.861 311 R HN 0.678 nan 8.270 nan 0.000 0.442 312 H N 0.476 119.618 119.070 0.120 0.000 2.421 312 H HA -0.082 4.494 4.556 0.034 0.000 0.298 312 H C 2.033 177.424 175.328 0.105 0.000 1.087 312 H CA 1.458 57.576 56.048 0.117 0.000 1.330 312 H CB 0.055 29.907 29.762 0.151 0.000 1.388 312 H HN 0.222 nan 8.280 nan 0.000 0.526 313 L N 0.096 121.460 121.223 0.235 0.000 2.395 313 L HA -0.031 4.328 4.340 0.032 0.000 0.218 313 L C 1.918 178.877 176.870 0.149 0.000 1.130 313 L CA 0.857 55.800 54.840 0.172 0.000 0.826 313 L CB -0.197 41.961 42.059 0.165 0.000 0.941 313 L HN 0.108 nan 8.230 nan 0.000 0.451 314 T N -0.827 113.815 114.554 0.148 0.000 3.113 314 T HA 0.097 4.466 4.350 0.032 0.000 0.256 314 T C 0.962 175.731 174.700 0.116 0.000 1.131 314 T CA -0.165 62.021 62.100 0.143 0.000 1.074 314 T CB 0.096 69.060 68.868 0.159 0.000 0.944 314 T HN 0.040 nan 8.240 nan 0.000 0.516 315 L N 0.440 121.729 121.223 0.109 0.000 4.312 315 L HA -0.188 4.171 4.340 0.032 0.000 0.427 315 L C 0.471 177.379 176.870 0.064 0.000 1.149 315 L CA 0.816 55.710 54.840 0.091 0.000 0.978 315 L CB -1.902 40.208 42.059 0.085 0.000 1.963 315 L HN 0.407 nan 8.230 nan 0.000 0.970 316 R N 1.067 121.598 120.500 0.051 0.000 2.404 316 R HA 0.469 4.828 4.340 0.032 0.000 0.291 316 R C -1.898 174.395 176.300 -0.012 0.000 1.025 316 R CA -1.741 54.377 56.100 0.030 0.000 0.991 316 R CB 0.658 30.980 30.300 0.036 0.000 1.053 316 R HN -0.021 nan 8.270 nan 0.000 0.479 317 P HA 0.046 nan 4.420 nan 0.000 0.266 317 P C -2.480 174.798 177.300 -0.036 0.000 1.195 317 P CA -1.124 61.966 63.100 -0.017 0.000 0.768 317 P CB -0.193 31.506 31.700 -0.003 0.000 0.838 318 P HA 0.012 nan 4.420 nan 0.000 0.266 318 P C 1.137 178.423 177.300 -0.024 0.000 1.193 318 P CA 1.309 64.384 63.100 -0.042 0.000 0.770 318 P CB -0.089 31.595 31.700 -0.026 0.000 0.836 319 G N 0.902 109.691 108.800 -0.018 0.000 2.179 319 G HA2 -0.263 3.716 3.960 0.032 0.000 0.260 319 G HA3 -0.263 3.716 3.960 0.032 0.000 0.260 319 G C 0.440 175.329 174.900 -0.019 0.000 0.977 319 G CA 0.094 45.192 45.100 -0.003 0.000 0.641 319 G HN 0.609 nan 8.290 nan 0.000 0.533 320 S N 1.327 117.003 115.700 -0.039 0.000 2.537 320 S HA 0.408 4.898 4.470 0.032 0.000 0.286 320 S C 0.945 175.491 174.600 -0.089 0.000 1.299 320 S CA 0.620 58.778 58.200 -0.070 0.000 1.067 320 S CB 0.735 63.885 63.200 -0.084 0.000 0.864 320 S HN 0.453 nan 8.310 nan 0.000 0.494 321 T N 6.525 121.012 114.554 -0.112 0.000 2.871 321 T HA 0.118 4.487 4.350 0.032 0.000 0.296 321 T C -2.025 172.551 174.700 -0.205 0.000 0.998 321 T CA -0.562 61.466 62.100 -0.120 0.000 1.162 321 T CB 0.081 68.884 68.868 -0.109 0.000 0.947 321 T HN 0.370 nan 8.240 nan 0.000 0.536 322 P HA 0.078 nan 4.420 nan 0.000 0.269 322 P C -0.712 176.491 177.300 -0.162 0.000 1.217 322 P CA -0.089 62.938 63.100 -0.121 0.000 0.783 322 P CB 0.294 31.983 31.700 -0.018 0.000 0.898 323 Y N -0.015 120.336 120.300 0.086 0.000 2.304 323 Y HA 0.417 4.990 4.550 0.038 0.000 0.328 323 Y C 1.454 177.415 175.900 0.103 0.000 1.123 323 Y CA 0.053 58.214 58.100 0.102 0.000 1.218 323 Y CB 0.773 39.299 38.460 0.109 0.000 1.207 323 Y HN 0.312 nan 8.280 nan 0.000 0.495 324 T N -0.535 114.163 114.554 0.241 0.000 2.887 324 T HA 0.241 4.610 4.350 0.032 0.000 0.292 324 T C 0.515 175.251 174.700 0.060 0.000 1.087 324 T CA -0.912 61.255 62.100 0.110 0.000 1.009 324 T CB 1.150 70.054 68.868 0.060 0.000 1.203 324 T HN 0.521 nan 8.240 nan 0.000 0.518 325 L N 0.883 122.000 121.223 -0.177 0.000 2.085 325 L HA -0.108 4.251 4.340 0.032 0.000 0.218 325 L C 2.431 179.264 176.870 -0.062 0.000 1.080 325 L CA 1.772 56.406 54.840 -0.344 0.000 0.776 325 L CB -1.052 40.619 42.059 -0.647 0.000 0.891 325 L HN 0.749 nan 8.230 nan 0.000 0.437 326 L N -1.027 120.112 121.223 -0.140 0.000 2.189 326 L HA -0.267 4.092 4.340 0.032 0.000 0.214 326 L C 1.873 178.497 176.870 -0.410 0.000 1.097 326 L CA 1.596 56.222 54.840 -0.357 0.000 0.764 326 L CB -0.955 40.747 42.059 -0.595 0.000 0.900 326 L HN 0.424 nan 8.230 nan 0.000 0.436 327 D N -1.335 118.976 120.400 -0.149 0.000 2.333 327 D HA -0.091 4.568 4.640 0.032 0.000 0.208 327 D C 1.802 178.059 176.300 -0.072 0.000 0.984 327 D CA 0.716 54.687 54.000 -0.048 0.000 0.873 327 D CB 0.201 41.087 40.800 0.142 0.000 0.935 327 D HN 0.328 nan 8.370 nan 0.000 0.521 328 Y N -0.223 119.941 120.300 -0.227 0.000 2.583 328 Y HA 0.066 4.633 4.550 0.029 0.000 0.293 328 Y C 0.680 176.221 175.900 -0.598 0.000 1.157 328 Y CA 0.031 57.905 58.100 -0.376 0.000 1.315 328 Y CB -0.211 37.994 38.460 -0.425 0.000 1.021 328 Y HN -0.189 nan 8.280 nan 0.000 0.536 329 F N 0.859 120.485 119.950 -0.540 0.000 2.380 329 F HA 0.341 4.889 4.527 0.035 0.000 0.325 329 F C -1.559 173.904 175.800 -0.562 0.000 1.136 329 F CA -2.900 54.666 58.000 -0.725 0.000 1.171 329 F CB -0.165 37.945 39.000 -1.483 0.000 1.230 329 F HN -0.185 nan 8.300 nan 0.000 0.554 330 P HA 0.001 nan 4.420 nan 0.000 0.268 330 P C 0.112 177.377 177.300 -0.057 0.000 1.208 330 P CA 0.120 63.146 63.100 -0.124 0.000 0.777 330 P CB 0.585 32.253 31.700 -0.053 0.000 0.875 331 D N -0.051 120.325 120.400 -0.040 0.000 2.182 331 D HA -0.142 4.517 4.640 0.032 0.000 0.201 331 D C 0.470 176.660 176.300 -0.184 0.000 0.986 331 D CA 1.476 55.458 54.000 -0.031 0.000 0.847 331 D CB -0.313 40.443 40.800 -0.075 0.000 0.942 331 D HN 0.428 nan 8.370 nan 0.000 0.467 332 D N -0.183 120.103 120.400 -0.191 0.000 2.524 332 D HA 0.177 4.836 4.640 0.032 0.000 0.222 332 D C -0.812 175.536 176.300 0.080 0.000 1.142 332 D CA -0.564 53.244 54.000 -0.321 0.000 0.973 332 D CB -0.768 39.965 40.800 -0.112 0.000 1.025 332 D HN 0.069 nan 8.370 nan 0.000 0.519 333 F N 0.731 120.608 119.950 -0.121 0.000 2.643 333 F HA 0.590 5.133 4.527 0.026 0.000 0.314 333 F C -1.459 174.327 175.800 -0.023 0.000 1.096 333 F CA -1.422 56.570 58.000 -0.014 0.000 0.953 333 F CB 1.564 40.577 39.000 0.020 0.000 1.345 333 F HN 0.026 nan 8.300 nan 0.000 0.468 334 M N 3.573 123.041 119.600 -0.220 0.000 2.456 334 M HA 0.663 5.162 4.480 0.032 0.000 0.324 334 M C -1.941 174.102 176.300 -0.428 0.000 1.124 334 M CA -0.650 54.453 55.300 -0.329 0.000 0.959 334 M CB 1.895 34.412 32.600 -0.139 0.000 1.692 334 M HN 0.700 nan 8.290 nan 0.000 0.444 335 I N 4.332 124.624 120.570 -0.463 0.000 2.406 335 I HA 0.470 4.659 4.170 0.032 0.000 0.290 335 I C -1.098 174.865 176.117 -0.258 0.000 0.999 335 I CA -0.935 60.148 61.300 -0.362 0.000 1.124 335 I CB 2.014 39.777 38.000 -0.395 0.000 1.289 335 I HN 0.346 nan 8.210 nan 0.000 0.441 336 V N 6.968 126.787 119.914 -0.158 0.000 2.448 336 V HA 0.383 4.522 4.120 0.032 0.000 0.295 336 V C -0.227 175.851 176.094 -0.027 0.000 1.025 336 V CA -0.667 61.572 62.300 -0.102 0.000 0.859 336 V CB 2.161 33.947 31.823 -0.061 0.000 0.988 336 V HN 0.399 nan 8.190 nan 0.000 0.431 337 V N 3.812 123.731 119.914 0.009 0.000 2.304 337 V HA 0.306 4.445 4.120 0.032 0.000 0.278 337 V C -0.268 175.922 176.094 0.161 0.000 1.018 337 V CA -0.574 61.793 62.300 0.111 0.000 0.814 337 V CB 1.430 33.375 31.823 0.204 0.000 1.021 337 V HN 0.943 nan 8.190 nan 0.000 0.440 338 D N 4.370 124.857 120.400 0.145 0.000 2.304 338 D HA 0.202 4.861 4.640 0.032 0.000 0.250 338 D C 0.551 176.969 176.300 0.197 0.000 1.107 338 D CA 0.224 54.323 54.000 0.165 0.000 0.885 338 D CB 0.689 41.577 40.800 0.146 0.000 1.192 338 D HN 0.577 nan 8.370 nan 0.000 0.436 339 E N 2.109 122.451 120.200 0.236 0.000 2.271 339 E HA -0.207 4.162 4.350 0.032 0.000 0.223 339 E C 0.868 177.568 176.600 0.166 0.000 1.223 339 E CA 0.831 57.386 56.400 0.258 0.000 0.704 339 E CB -1.971 27.906 29.700 0.295 0.000 1.194 339 E HN 0.572 nan 8.360 nan 0.000 0.375 340 S N -0.126 115.738 115.700 0.272 0.000 2.419 340 S HA -0.267 4.222 4.470 0.032 0.000 0.235 340 S C 1.763 176.467 174.600 0.172 0.000 1.019 340 S CA 1.542 59.909 58.200 0.277 0.000 0.982 340 S CB -0.584 62.864 63.200 0.415 0.000 0.789 340 S HN 0.679 nan 8.310 nan 0.000 0.490 341 H N 0.955 120.096 119.070 0.118 0.000 2.387 341 H HA 0.077 4.653 4.556 0.034 0.000 0.299 341 H C 1.951 177.309 175.328 0.049 0.000 1.090 341 H CA 1.537 57.626 56.048 0.068 0.000 1.332 341 H CB -0.859 28.932 29.762 0.048 0.000 1.386 341 H HN 0.434 nan 8.280 nan 0.000 0.516 342 V N 1.223 120.782 119.914 -0.591 0.000 2.575 342 V HA -0.114 4.025 4.120 0.032 0.000 0.242 342 V C 2.470 178.458 176.094 -0.176 0.000 1.045 342 V CA 1.653 63.693 62.300 -0.433 0.000 1.065 342 V CB -0.313 31.026 31.823 -0.806 0.000 0.717 342 V HN 0.448 nan 8.190 nan 0.000 0.467 343 T N 0.696 115.231 114.554 -0.031 0.000 2.915 343 T HA -0.040 4.330 4.350 0.032 0.000 0.269 343 T C 1.853 176.602 174.700 0.083 0.000 1.071 343 T CA 1.052 63.206 62.100 0.089 0.000 1.132 343 T CB -0.099 68.867 68.868 0.163 0.000 0.878 343 T HN 0.147 nan 8.240 nan 0.000 0.479 344 I N 1.328 121.960 120.570 0.102 0.000 2.235 344 I HA 0.048 4.237 4.170 0.032 0.000 0.241 344 I C -0.630 175.505 176.117 0.031 0.000 1.085 344 I CA 0.283 61.667 61.300 0.141 0.000 1.378 344 I CB -2.376 35.717 38.000 0.155 0.000 1.076 344 I HN 0.067 nan 8.210 nan 0.000 0.415 345 P HA -0.260 nan 4.420 nan 0.000 0.219 345 P C 1.891 179.171 177.300 -0.034 0.000 1.161 345 P CA 1.862 64.927 63.100 -0.059 0.000 0.909 345 P CB -0.116 31.558 31.700 -0.044 0.000 0.793 346 Q N -0.509 119.280 119.800 -0.019 0.000 2.061 346 Q HA -0.170 4.189 4.340 0.032 0.000 0.204 346 Q C 1.969 177.976 176.000 0.011 0.000 0.984 346 Q CA 1.790 57.591 55.803 -0.003 0.000 0.846 346 Q CB -0.586 28.158 28.738 0.009 0.000 0.902 346 Q HN 0.037 nan 8.270 nan 0.000 0.421 347 V N 0.803 120.722 119.914 0.009 0.000 2.407 347 V HA -0.260 3.879 4.120 0.032 0.000 0.248 347 V C 2.460 178.595 176.094 0.067 0.000 1.055 347 V CA 2.127 64.403 62.300 -0.040 0.000 1.049 347 V CB -0.633 31.056 31.823 -0.223 0.000 0.662 347 V HN 0.366 nan 8.190 nan 0.000 0.455 348 R N 0.305 120.876 120.500 0.118 0.000 2.073 348 R HA -0.074 4.285 4.340 0.032 0.000 0.229 348 R C 2.246 178.584 176.300 0.064 0.000 1.120 348 R CA 1.467 57.624 56.100 0.096 0.000 0.967 348 R CB -0.648 29.542 30.300 -0.184 0.000 0.862 348 R HN 0.513 nan 8.270 nan 0.000 0.436 349 G N 0.618 109.434 108.800 0.027 0.000 2.586 349 G HA2 -0.168 3.811 3.960 0.032 0.000 0.215 349 G HA3 -0.168 3.811 3.960 0.032 0.000 0.215 349 G C 1.223 176.157 174.900 0.056 0.000 1.128 349 G CA 0.189 45.308 45.100 0.031 0.000 0.774 349 G HN 0.176 nan 8.290 nan 0.000 0.543 350 M N -0.083 119.564 119.600 0.078 0.000 2.098 350 M HA 0.117 4.616 4.480 0.032 0.000 0.262 350 M C 2.223 178.564 176.300 0.068 0.000 1.072 350 M CA 0.585 55.938 55.300 0.089 0.000 1.133 350 M CB -1.469 31.198 32.600 0.111 0.000 1.344 350 M HN 0.321 nan 8.290 nan 0.000 0.414 351 F N 2.381 122.293 119.950 -0.064 0.000 2.065 351 F HA -0.271 4.280 4.527 0.040 0.000 0.298 351 F C 2.129 177.906 175.800 -0.037 0.000 1.112 351 F CA 1.829 59.785 58.000 -0.074 0.000 1.212 351 F CB -0.514 38.453 39.000 -0.054 0.000 0.975 351 F HN 0.237 nan 8.300 nan 0.000 0.476 352 N N 0.592 119.317 118.700 0.042 0.000 2.166 352 N HA -0.125 4.634 4.740 0.032 0.000 0.186 352 N C 2.073 177.518 175.510 -0.108 0.000 1.019 352 N CA 1.364 54.372 53.050 -0.069 0.000 0.856 352 N CB -0.984 37.547 38.487 0.074 0.000 0.993 352 N HN 0.525 nan 8.380 nan 0.000 0.426 353 G N 0.985 109.751 108.800 -0.056 0.000 2.408 353 G HA2 -0.241 3.738 3.960 0.032 0.000 0.217 353 G HA3 -0.241 3.738 3.960 0.032 0.000 0.217 353 G C 1.240 176.098 174.900 -0.071 0.000 1.150 353 G CA 0.649 45.721 45.100 -0.047 0.000 0.776 353 G HN 0.331 nan 8.290 nan 0.000 0.542 354 D N -0.070 120.272 120.400 -0.097 0.000 2.117 354 D HA -0.110 4.549 4.640 0.032 0.000 0.198 354 D C 2.136 178.335 176.300 -0.167 0.000 0.982 354 D CA 0.828 54.767 54.000 -0.102 0.000 0.828 354 D CB -0.038 40.699 40.800 -0.105 0.000 0.967 354 D HN 0.221 nan 8.370 nan 0.000 0.464 355 Q N 0.146 119.762 119.800 -0.308 0.000 2.311 355 Q HA 0.042 4.401 4.340 0.032 0.000 0.203 355 Q C 2.067 177.964 176.000 -0.172 0.000 0.954 355 Q CA 0.748 56.358 55.803 -0.323 0.000 0.885 355 Q CB 0.006 28.383 28.738 -0.602 0.000 0.963 355 Q HN 0.363 nan 8.270 nan 0.000 0.471 356 A N 1.171 123.912 122.820 -0.133 0.000 1.872 356 A HA -0.136 4.203 4.320 0.032 0.000 0.214 356 A C 2.193 179.755 177.584 -0.037 0.000 1.187 356 A CA 1.036 53.032 52.037 -0.067 0.000 0.614 356 A CB -0.417 18.550 19.000 -0.054 0.000 0.826 356 A HN 0.173 nan 8.150 nan 0.000 0.442 357 R N -0.257 120.219 120.500 -0.041 0.000 2.091 357 R HA -0.137 4.222 4.340 0.032 0.000 0.238 357 R C 2.082 178.384 176.300 0.004 0.000 1.136 357 R CA 1.899 57.987 56.100 -0.019 0.000 0.959 357 R CB -0.170 30.117 30.300 -0.021 0.000 0.856 357 R HN 0.506 nan 8.270 nan 0.000 0.437 358 K N -0.480 119.915 120.400 -0.008 0.000 2.167 358 K HA -0.052 4.287 4.320 0.032 0.000 0.203 358 K C 2.159 178.782 176.600 0.037 0.000 1.052 358 K CA 0.636 56.931 56.287 0.013 0.000 0.956 358 K CB 0.122 32.612 32.500 -0.017 0.000 0.735 358 K HN 0.131 nan 8.250 nan 0.000 0.451 359 Q N 0.479 120.291 119.800 0.020 0.000 2.167 359 Q HA -0.117 4.242 4.340 0.032 0.000 0.202 359 Q C 2.241 178.308 176.000 0.111 0.000 0.970 359 Q CA 1.276 57.107 55.803 0.047 0.000 0.855 359 Q CB -0.063 28.687 28.738 0.020 0.000 0.911 359 Q HN 0.256 nan 8.270 nan 0.000 0.438 360 V N -0.768 119.220 119.914 0.123 0.000 2.719 360 V HA -0.125 4.014 4.120 0.032 0.000 0.252 360 V C 1.992 178.263 176.094 0.296 0.000 1.065 360 V CA 0.913 63.346 62.300 0.221 0.000 1.086 360 V CB -0.319 31.590 31.823 0.144 0.000 0.700 360 V HN 0.227 nan 8.190 nan 0.000 0.467 361 L N -0.333 121.009 121.223 0.198 0.000 2.056 361 L HA -0.074 4.285 4.340 0.032 0.000 0.207 361 L C 2.635 179.680 176.870 0.291 0.000 1.078 361 L CA 1.607 56.584 54.840 0.229 0.000 0.749 361 L CB -0.430 41.717 42.059 0.146 0.000 0.901 361 L HN 0.258 nan 8.230 nan 0.000 0.433 362 V N -0.520 119.502 119.914 0.180 0.000 2.453 362 V HA -0.244 3.895 4.120 0.032 0.000 0.247 362 V C 1.998 178.156 176.094 0.105 0.000 1.048 362 V CA 1.608 63.980 62.300 0.120 0.000 1.049 362 V CB -0.423 31.442 31.823 0.071 0.000 0.672 362 V HN 0.421 nan 8.190 nan 0.000 0.457 363 D N -0.889 119.596 120.400 0.141 0.000 2.178 363 D HA -0.133 4.526 4.640 0.032 0.000 0.201 363 D C 1.696 177.967 176.300 -0.049 0.000 0.980 363 D CA 1.248 55.285 54.000 0.061 0.000 0.842 363 D CB -0.176 40.687 40.800 0.106 0.000 0.948 363 D HN 0.557 nan 8.370 nan 0.000 0.472 364 H N -0.958 118.155 119.070 0.073 0.000 2.520 364 H HA 0.273 4.847 4.556 0.030 0.000 0.284 364 H C 1.025 176.256 175.328 -0.161 0.000 1.037 364 H CA 0.376 56.420 56.048 -0.007 0.000 1.168 364 H CB 0.827 30.588 29.762 -0.002 0.000 1.497 364 H HN 0.102 nan 8.280 nan 0.000 0.547 365 G N 1.221 110.011 108.800 -0.017 0.000 2.198 365 G HA2 -0.308 3.671 3.960 0.032 0.000 0.260 365 G HA3 -0.308 3.671 3.960 0.032 0.000 0.260 365 G C 0.408 175.148 174.900 -0.266 0.000 1.025 365 G CA 0.289 45.299 45.100 -0.150 0.000 0.769 365 G HN 0.362 nan 8.290 nan 0.000 0.507 366 F N -0.163 119.726 119.950 -0.101 0.000 2.569 366 F HA 0.357 4.903 4.527 0.032 0.000 0.295 366 F C 1.719 177.486 175.800 -0.056 0.000 1.115 366 F CA 0.617 58.542 58.000 -0.125 0.000 1.450 366 F CB 0.230 39.147 39.000 -0.140 0.000 1.107 366 F HN 0.051 nan 8.300 nan 0.000 0.563 367 R N 0.059 120.635 120.500 0.127 0.000 2.698 367 R HA 0.442 4.801 4.340 0.032 0.000 0.275 367 R C -0.834 175.480 176.300 0.023 0.000 1.001 367 R CA -0.834 55.294 56.100 0.045 0.000 0.896 367 R CB 1.649 31.975 30.300 0.043 0.000 1.218 367 R HN 0.025 nan 8.270 nan 0.000 0.462 368 L N 2.761 123.983 121.223 -0.001 0.000 2.473 368 L HA 0.145 4.504 4.340 0.032 0.000 0.268 368 L C -1.031 175.860 176.870 0.036 0.000 1.215 368 L CA -1.329 53.532 54.840 0.034 0.000 0.823 368 L CB 0.339 42.445 42.059 0.078 0.000 1.099 368 L HN 0.302 nan 8.230 nan 0.000 0.483 369 P HA -0.156 nan 4.420 nan 0.000 0.219 369 P C 1.454 178.776 177.300 0.038 0.000 1.146 369 P CA 1.177 64.301 63.100 0.040 0.000 0.808 369 P CB 0.062 31.787 31.700 0.042 0.000 0.779 370 S N -0.504 115.239 115.700 0.072 0.000 2.493 370 S HA -0.115 4.375 4.470 0.032 0.000 0.243 370 S C 1.935 176.546 174.600 0.019 0.000 0.991 370 S CA 1.029 59.260 58.200 0.053 0.000 0.957 370 S CB -1.267 62.044 63.200 0.185 0.000 0.756 370 S HN 0.140 nan 8.310 nan 0.000 0.521 371 A N 1.211 124.030 122.820 -0.002 0.000 2.119 371 A HA 0.316 4.655 4.320 0.032 0.000 0.217 371 A C 2.035 179.608 177.584 -0.018 0.000 1.153 371 A CA 0.663 52.677 52.037 -0.038 0.000 0.692 371 A CB -0.578 18.381 19.000 -0.068 0.000 0.799 371 A HN 0.569 nan 8.150 nan 0.000 0.458 372 L N -0.764 120.452 121.223 -0.012 0.000 2.492 372 L HA -0.017 4.342 4.340 0.032 0.000 0.223 372 L C 1.009 177.874 176.870 -0.008 0.000 1.132 372 L CA 0.410 55.236 54.840 -0.022 0.000 0.850 372 L CB -0.102 41.943 42.059 -0.022 0.000 0.966 372 L HN 0.169 nan 8.230 nan 0.000 0.454 373 D N -0.117 120.281 120.400 -0.004 0.000 2.363 373 D HA -0.063 4.596 4.640 0.032 0.000 0.226 373 D C 0.624 176.927 176.300 0.006 0.000 1.020 373 D CA 0.522 54.521 54.000 -0.001 0.000 0.892 373 D CB -0.042 40.742 40.800 -0.028 0.000 0.900 373 D HN 0.211 nan 8.370 nan 0.000 0.531 374 N N 1.409 120.115 118.700 0.010 0.000 2.699 374 N HA 0.128 4.887 4.740 0.032 0.000 0.232 374 N C -0.781 174.734 175.510 0.010 0.000 1.027 374 N CA -0.201 52.866 53.050 0.028 0.000 0.920 374 N CB 0.562 39.077 38.487 0.047 0.000 1.148 374 N HN 0.088 nan 8.380 nan 0.000 0.509 375 R N 1.488 121.976 120.500 -0.020 0.000 2.734 375 R HA 0.628 4.987 4.340 0.032 0.000 0.271 375 R C -3.012 173.144 176.300 -0.241 0.000 1.021 375 R CA -1.388 54.654 56.100 -0.096 0.000 0.893 375 R CB 1.088 31.371 30.300 -0.029 0.000 1.244 375 R HN 0.108 nan 8.270 nan 0.000 0.464 376 P HA 0.138 nan 4.420 nan 0.000 0.286 376 P C -0.384 176.801 177.300 -0.190 0.000 1.293 376 P CA -0.554 62.132 63.100 -0.690 0.000 0.770 376 P CB 0.596 31.653 31.700 -1.071 0.000 1.206 377 L N -0.011 121.132 121.223 -0.134 0.000 2.417 377 L HA 0.271 4.631 4.340 0.032 0.000 0.268 377 L C 1.551 178.400 176.870 -0.035 0.000 1.158 377 L CA -0.426 54.391 54.840 -0.038 0.000 0.819 377 L CB 0.041 42.106 42.059 0.011 0.000 1.112 377 L HN 0.290 nan 8.230 nan 0.000 0.458 378 R N 0.703 121.104 120.500 -0.164 0.000 2.694 378 R HA -0.008 4.351 4.340 0.032 0.000 0.268 378 R C 0.840 177.110 176.300 -0.051 0.000 1.061 378 R CA -0.094 55.822 56.100 -0.307 0.000 1.133 378 R CB 0.441 30.408 30.300 -0.556 0.000 1.020 378 R HN 0.501 nan 8.270 nan 0.000 0.475 379 F N 2.211 122.087 119.950 -0.124 0.000 2.250 379 F HA -0.214 4.275 4.527 -0.063 0.000 0.301 379 F C 2.303 178.113 175.800 0.017 0.000 1.077 379 F CA 1.915 59.906 58.000 -0.015 0.000 1.348 379 F CB 0.076 39.036 39.000 -0.067 0.000 1.040 379 F HN 0.679 nan 8.300 nan 0.000 0.509 380 E N -0.063 120.197 120.200 0.100 0.000 2.106 380 E HA -0.237 4.132 4.350 0.032 0.000 0.192 380 E C 1.736 178.302 176.600 -0.056 0.000 0.984 380 E CA 1.635 58.055 56.400 0.034 0.000 0.806 380 E CB -0.566 29.131 29.700 -0.005 0.000 0.750 380 E HN 0.565 nan 8.360 nan 0.000 0.458 381 E N 0.115 120.272 120.200 -0.072 0.000 2.047 381 E HA -0.131 4.238 4.350 0.032 0.000 0.191 381 E C 1.821 178.384 176.600 -0.061 0.000 0.987 381 E CA 1.113 57.460 56.400 -0.089 0.000 0.799 381 E CB -0.314 29.351 29.700 -0.060 0.000 0.752 381 E HN 0.221 nan 8.360 nan 0.000 0.449 382 F N 2.430 122.262 119.950 -0.197 0.000 2.063 382 F HA -0.268 4.276 4.527 0.027 0.000 0.298 382 F C 1.947 177.589 175.800 -0.262 0.000 1.109 382 F CA 1.830 59.693 58.000 -0.228 0.000 1.212 382 F CB -0.289 38.425 39.000 -0.478 0.000 0.973 382 F HN -0.023 nan 8.300 nan 0.000 0.480 383 E N -0.225 119.731 120.200 -0.407 0.000 2.171 383 E HA -0.258 4.111 4.350 0.032 0.000 0.197 383 E C 2.075 178.503 176.600 -0.286 0.000 0.997 383 E CA 1.348 57.538 56.400 -0.351 0.000 0.810 383 E CB -0.189 29.457 29.700 -0.091 0.000 0.738 383 E HN 0.450 nan 8.360 nan 0.000 0.467 384 K N -0.188 120.042 120.400 -0.283 0.000 2.439 384 K HA -0.062 4.277 4.320 0.032 0.000 0.197 384 K C 1.137 177.537 176.600 -0.335 0.000 1.041 384 K CA 0.562 56.674 56.287 -0.291 0.000 0.970 384 K CB 0.155 32.453 32.500 -0.337 0.000 0.773 384 K HN 0.240 nan 8.250 nan 0.000 0.479 385 H N -0.462 118.489 119.070 -0.197 0.000 2.549 385 H HA 0.183 4.755 4.556 0.026 0.000 0.279 385 H C 0.058 175.200 175.328 -0.310 0.000 1.018 385 H CA 0.087 56.057 56.048 -0.131 0.000 1.175 385 H CB 0.113 29.853 29.762 -0.038 0.000 1.485 385 H HN 0.051 nan 8.280 nan 0.000 0.543 386 M N 1.222 120.637 119.600 -0.309 0.000 2.557 386 M HA 0.037 4.536 4.480 0.032 0.000 0.328 386 M C 1.172 177.305 176.300 -0.277 0.000 1.423 386 M CA -0.045 55.006 55.300 -0.416 0.000 1.418 386 M CB 0.629 32.967 32.600 -0.437 0.000 1.381 386 M HN 0.162 nan 8.290 nan 0.000 0.467 387 H N 3.041 121.865 119.070 -0.410 0.000 2.281 387 H HA 0.193 4.767 4.556 0.030 0.000 0.310 387 H C 0.110 175.248 175.328 -0.316 0.000 1.052 387 H CA 1.500 57.371 56.048 -0.294 0.000 1.331 387 H CB 0.673 30.290 29.762 -0.242 0.000 1.419 387 H HN 0.481 nan 8.280 nan 0.000 0.518 388 N N 0.415 118.890 118.700 -0.375 0.000 2.321 388 N HA 0.280 5.039 4.740 0.032 0.000 0.299 388 N C -1.276 173.983 175.510 -0.419 0.000 1.048 388 N CA -0.437 52.385 53.050 -0.381 0.000 0.836 388 N CB 2.840 41.158 38.487 -0.282 0.000 1.269 388 N HN 0.314 nan 8.380 nan 0.000 0.486 389 I N 1.306 121.611 120.570 -0.441 0.000 2.534 389 I HA 0.341 4.530 4.170 0.032 0.000 0.288 389 I C -1.380 174.427 176.117 -0.516 0.000 1.077 389 I CA -0.754 60.236 61.300 -0.518 0.000 1.051 389 I CB 1.666 39.297 38.000 -0.615 0.000 1.234 389 I HN 0.098 nan 8.210 nan 0.000 0.425 390 V N 7.861 127.511 119.914 -0.440 0.000 2.417 390 V HA 0.397 4.536 4.120 0.032 0.000 0.291 390 V C -1.024 174.888 176.094 -0.302 0.000 1.024 390 V CA -0.442 61.682 62.300 -0.293 0.000 0.861 390 V CB 1.415 33.156 31.823 -0.136 0.000 0.985 390 V HN 0.497 nan 8.190 nan 0.000 0.436 391 Y N 3.225 123.572 120.300 0.078 0.000 2.328 391 Y HA 0.605 5.170 4.550 0.026 0.000 0.337 391 Y C 0.099 176.062 175.900 0.106 0.000 1.008 391 Y CA -0.891 57.279 58.100 0.116 0.000 1.129 391 Y CB 1.768 40.316 38.460 0.148 0.000 1.185 391 Y HN 0.361 nan 8.280 nan 0.000 0.476 392 V N 2.949 123.018 119.914 0.259 0.000 2.384 392 V HA 0.666 4.805 4.120 0.032 0.000 0.287 392 V C -0.355 175.876 176.094 0.228 0.000 1.020 392 V CA -0.438 61.981 62.300 0.198 0.000 0.850 392 V CB 1.341 33.259 31.823 0.159 0.000 0.987 392 V HN 0.769 nan 8.190 nan 0.000 0.436 393 S N 2.828 118.640 115.700 0.186 0.000 2.579 393 S HA 0.565 5.054 4.470 0.032 0.000 0.290 393 S C 0.480 175.121 174.600 0.069 0.000 1.123 393 S CA 0.248 58.556 58.200 0.179 0.000 0.894 393 S CB 1.719 65.064 63.200 0.242 0.000 1.095 393 S HN 1.083 nan 8.310 nan 0.000 0.450 394 A N 2.332 125.160 122.820 0.012 0.000 2.167 394 A HA 0.284 4.623 4.320 0.032 0.000 0.214 394 A C 1.115 178.647 177.584 -0.087 0.000 1.151 394 A CA 1.369 53.386 52.037 -0.032 0.000 0.735 394 A CB -0.420 18.560 19.000 -0.034 0.000 0.802 394 A HN 1.465 nan 8.150 nan 0.000 0.467 395 T N -2.109 112.350 114.554 -0.159 0.000 3.428 395 T HA 0.464 4.834 4.350 0.032 0.000 0.301 395 T C -3.263 171.361 174.700 -0.125 0.000 1.323 395 T CA -1.858 60.126 62.100 -0.192 0.000 1.647 395 T CB 0.861 69.528 68.868 -0.335 0.000 0.871 395 T HN -0.041 nan 8.240 nan 0.000 0.627 396 P HA 0.235 nan 4.420 nan 0.000 0.264 396 P C 1.088 178.403 177.300 0.026 0.000 1.183 396 P CA 0.383 63.501 63.100 0.030 0.000 0.763 396 P CB 0.303 32.010 31.700 0.012 0.000 0.807 397 G N 4.238 113.085 108.800 0.077 0.000 2.684 397 G HA2 0.143 4.122 3.960 0.032 0.000 0.255 397 G HA3 0.143 4.122 3.960 0.032 0.000 0.255 397 G C -1.514 173.398 174.900 0.020 0.000 1.219 397 G CA -0.885 44.255 45.100 0.066 0.000 0.901 397 G HN 0.294 nan 8.290 nan 0.000 0.548 398 P HA -0.154 nan 4.420 nan 0.000 0.216 398 P C 1.448 178.765 177.300 0.029 0.000 1.153 398 P CA 0.989 64.099 63.100 0.017 0.000 0.848 398 P CB -0.062 31.654 31.700 0.026 0.000 0.787 399 Y N 1.681 121.943 120.300 -0.063 0.000 2.114 399 Y HA -0.263 4.325 4.550 0.062 0.000 0.282 399 Y C 2.085 177.919 175.900 -0.110 0.000 1.165 399 Y CA 1.996 60.065 58.100 -0.052 0.000 1.148 399 Y CB -0.757 37.633 38.460 -0.118 0.000 0.972 399 Y HN -0.044 nan 8.280 nan 0.000 0.504 400 E N 0.088 120.156 120.200 -0.219 0.000 2.072 400 E HA -0.160 4.209 4.350 0.032 0.000 0.191 400 E C 2.212 178.661 176.600 -0.252 0.000 0.985 400 E CA 1.772 57.877 56.400 -0.492 0.000 0.801 400 E CB -0.353 29.083 29.700 -0.439 0.000 0.750 400 E HN 0.537 nan 8.360 nan 0.000 0.452 401 I N 0.766 121.252 120.570 -0.140 0.000 2.202 401 I HA -0.243 3.946 4.170 0.032 0.000 0.242 401 I C 2.431 178.473 176.117 -0.125 0.000 1.091 401 I CA 1.121 62.364 61.300 -0.094 0.000 1.368 401 I CB -0.062 37.900 38.000 -0.063 0.000 1.058 401 I HN 0.053 nan 8.210 nan 0.000 0.410 402 E N 0.751 120.861 120.200 -0.150 0.000 2.118 402 E HA -0.255 4.114 4.350 0.032 0.000 0.195 402 E C 1.714 178.085 176.600 -0.381 0.000 0.992 402 E CA 1.839 58.099 56.400 -0.233 0.000 0.804 402 E CB -0.169 29.397 29.700 -0.222 0.000 0.741 402 E HN 0.584 nan 8.360 nan 0.000 0.458 403 H N -1.540 117.268 119.070 -0.437 0.000 2.551 403 H HA 0.312 4.890 4.556 0.036 0.000 0.271 403 H C -0.385 174.787 175.328 -0.260 0.000 0.984 403 H CA 0.583 56.306 56.048 -0.542 0.000 1.164 403 H CB 0.604 29.626 29.762 -1.233 0.000 1.437 403 H HN -0.098 nan 8.280 nan 0.000 0.550 404 T N 0.656 115.176 114.554 -0.056 0.000 2.829 404 T HA 0.071 4.440 4.350 0.032 0.000 0.282 404 T C 0.432 175.128 174.700 -0.007 0.000 0.990 404 T CA -0.687 61.433 62.100 0.033 0.000 1.028 404 T CB 1.750 70.656 68.868 0.064 0.000 0.951 404 T HN 0.190 nan 8.240 nan 0.000 0.460 405 D N 2.093 122.499 120.400 0.010 0.000 2.110 405 D HA 0.119 4.778 4.640 0.032 0.000 0.202 405 D C 1.047 177.343 176.300 -0.007 0.000 0.975 405 D CA 1.067 55.062 54.000 -0.009 0.000 0.839 405 D CB 0.243 41.040 40.800 -0.005 0.000 0.996 405 D HN 0.782 nan 8.370 nan 0.000 0.464 406 E N 0.963 121.166 120.200 0.006 0.000 2.256 406 E HA 0.472 4.841 4.350 0.032 0.000 0.268 406 E C -0.061 176.549 176.600 0.016 0.000 0.877 406 E CA -0.693 55.709 56.400 0.005 0.000 0.757 406 E CB 1.280 30.981 29.700 0.002 0.000 1.183 406 E HN -0.158 nan 8.360 nan 0.000 0.418 407 M N 0.987 120.595 119.600 0.014 0.000 2.252 407 M HA 0.208 4.707 4.480 0.032 0.000 0.321 407 M C -0.043 176.268 176.300 0.019 0.000 1.070 407 M CA -0.140 55.174 55.300 0.023 0.000 1.143 407 M CB 0.807 33.414 32.600 0.013 0.000 1.498 407 M HN 0.427 nan 8.290 nan 0.000 0.445 408 V N 2.117 122.045 119.914 0.025 0.000 2.350 408 V HA 0.279 4.419 4.120 0.032 0.000 0.285 408 V C 0.028 176.128 176.094 0.011 0.000 1.014 408 V CA -0.728 61.580 62.300 0.014 0.000 0.831 408 V CB 1.405 33.237 31.823 0.015 0.000 1.000 408 V HN 0.763 nan 8.190 nan 0.000 0.433 409 E N 3.231 123.430 120.200 -0.001 0.000 2.249 409 E HA 0.444 4.813 4.350 0.032 0.000 0.280 409 E C -0.610 175.977 176.600 -0.022 0.000 1.016 409 E CA -0.388 56.006 56.400 -0.009 0.000 0.830 409 E CB 1.348 31.039 29.700 -0.016 0.000 1.081 409 E HN 0.666 nan 8.360 nan 0.000 0.395 410 Q N 4.985 124.770 119.800 -0.025 0.000 2.414 410 Q HA 0.231 4.590 4.340 0.032 0.000 0.256 410 Q C -0.102 175.864 176.000 -0.057 0.000 0.974 410 Q CA -0.130 55.646 55.803 -0.044 0.000 0.723 410 Q CB 0.822 29.544 28.738 -0.027 0.000 1.281 410 Q HN 0.780 nan 8.270 nan 0.000 0.470 411 I N 0.293 120.809 120.570 -0.090 0.000 4.227 411 I HA 0.342 4.531 4.170 0.032 0.000 0.334 411 I C -0.239 175.798 176.117 -0.135 0.000 1.341 411 I CA -0.237 61.008 61.300 -0.092 0.000 1.123 411 I CB 0.688 38.642 38.000 -0.075 0.000 1.097 411 I HN 0.321 nan 8.210 nan 0.000 0.399 412 I N 3.759 124.206 120.570 -0.206 0.000 2.301 412 I HA 0.361 4.550 4.170 0.032 0.000 0.292 412 I C 0.517 176.519 176.117 -0.192 0.000 1.046 412 I CA -0.081 61.045 61.300 -0.289 0.000 1.282 412 I CB 0.696 38.336 38.000 -0.601 0.000 1.409 412 I HN 0.234 nan 8.210 nan 0.000 0.484 413 R N 6.972 127.395 120.500 -0.129 0.000 2.641 413 R HA 0.180 4.539 4.340 0.032 0.000 0.269 413 R C -1.324 174.922 176.300 -0.089 0.000 1.074 413 R CA -1.225 54.821 56.100 -0.091 0.000 1.133 413 R CB 0.360 30.625 30.300 -0.059 0.000 1.029 413 R HN 0.323 nan 8.270 nan 0.000 0.488 414 P HA -0.150 nan 4.420 nan 0.000 0.214 414 P C 0.940 178.209 177.300 -0.053 0.000 1.163 414 P CA 1.510 64.551 63.100 -0.098 0.000 0.883 414 P CB 0.067 31.663 31.700 -0.173 0.000 0.788 415 T N -4.850 109.674 114.554 -0.049 0.000 3.272 415 T HA 0.381 4.750 4.350 0.032 0.000 0.250 415 T C 1.436 176.138 174.700 0.005 0.000 1.082 415 T CA 0.263 62.352 62.100 -0.018 0.000 0.968 415 T CB -1.143 67.711 68.868 -0.024 0.000 1.015 415 T HN 0.296 nan 8.240 nan 0.000 0.563 416 G N 1.149 109.954 108.800 0.009 0.000 2.196 416 G HA2 -0.247 3.732 3.960 0.032 0.000 0.268 416 G HA3 -0.247 3.732 3.960 0.032 0.000 0.268 416 G C 0.097 175.008 174.900 0.019 0.000 0.975 416 G CA 0.016 45.139 45.100 0.037 0.000 0.648 416 G HN 0.567 nan 8.290 nan 0.000 0.538 417 L N 0.471 121.695 121.223 0.001 0.000 2.769 417 L HA 0.061 4.420 4.340 0.032 0.000 0.293 417 L C 1.259 178.125 176.870 -0.005 0.000 1.224 417 L CA 0.701 55.539 54.840 -0.004 0.000 0.906 417 L CB -0.260 41.791 42.059 -0.013 0.000 1.193 417 L HN 0.283 nan 8.230 nan 0.000 0.488 418 L N 3.273 124.496 121.223 0.000 0.000 2.379 418 L HA 0.266 4.625 4.340 0.032 0.000 0.269 418 L C 0.355 177.221 176.870 -0.007 0.000 1.084 418 L CA -1.084 53.756 54.840 -0.001 0.000 0.802 418 L CB 0.912 42.975 42.059 0.006 0.000 1.175 418 L HN 0.491 nan 8.230 nan 0.000 0.448 419 D N 2.694 123.088 120.400 -0.011 0.000 2.472 419 D HA 0.094 4.754 4.640 0.032 0.000 0.237 419 D C -2.118 174.175 176.300 -0.010 0.000 1.141 419 D CA -0.623 53.370 54.000 -0.013 0.000 0.875 419 D CB 0.471 41.261 40.800 -0.016 0.000 1.192 419 D HN 0.203 nan 8.370 nan 0.000 0.450 420 P HA 0.073 nan 4.420 nan 0.000 0.272 420 P C -0.290 177.000 177.300 -0.016 0.000 1.223 420 P CA -0.283 62.810 63.100 -0.012 0.000 0.784 420 P CB 0.613 32.306 31.700 -0.012 0.000 0.923 421 L N 2.428 123.642 121.223 -0.016 0.000 2.380 421 L HA 0.315 4.674 4.340 0.032 0.000 0.273 421 L C 0.656 177.508 176.870 -0.030 0.000 1.138 421 L CA -0.225 54.604 54.840 -0.020 0.000 0.832 421 L CB -0.069 41.980 42.059 -0.017 0.000 1.124 421 L HN 0.210 nan 8.230 nan 0.000 0.454 422 I N 2.103 122.652 120.570 -0.035 0.000 2.378 422 I HA 0.260 4.449 4.170 0.032 0.000 0.291 422 I C -0.635 175.448 176.117 -0.058 0.000 0.992 422 I CA -0.499 60.772 61.300 -0.049 0.000 1.154 422 I CB 1.728 39.700 38.000 -0.047 0.000 1.315 422 I HN 0.478 nan 8.210 nan 0.000 0.448 423 D N 5.421 125.772 120.400 -0.082 0.000 2.193 423 D HA 0.418 5.077 4.640 0.032 0.000 0.244 423 D C -0.770 175.452 176.300 -0.130 0.000 1.064 423 D CA -0.156 53.787 54.000 -0.095 0.000 0.845 423 D CB 1.993 42.730 40.800 -0.105 0.000 1.148 423 D HN 0.080 nan 8.370 nan 0.000 0.464 424 V N 4.949 124.804 119.914 -0.099 0.000 2.427 424 V HA 0.573 4.712 4.120 0.032 0.000 0.286 424 V C 0.391 176.432 176.094 -0.088 0.000 1.034 424 V CA -0.506 61.732 62.300 -0.103 0.000 0.893 424 V CB 1.243 33.032 31.823 -0.057 0.000 0.982 424 V HN 0.462 nan 8.190 nan 0.000 0.452 425 R N 4.079 124.518 120.500 -0.101 0.000 2.808 425 R HA 0.552 4.911 4.340 0.032 0.000 0.272 425 R C -2.990 173.365 176.300 0.093 0.000 0.995 425 R CA -2.031 54.063 56.100 -0.008 0.000 0.917 425 R CB 2.041 32.336 30.300 -0.008 0.000 1.217 425 R HN 0.368 nan 8.270 nan 0.000 0.471 426 P HA 0.191 nan 4.420 nan 0.000 0.274 426 P C 0.429 177.824 177.300 0.158 0.000 1.237 426 P CA -0.269 62.898 63.100 0.112 0.000 0.793 426 P CB 0.586 32.326 31.700 0.066 0.000 0.977 427 I N -0.787 119.842 120.570 0.098 0.000 2.493 427 I HA -0.140 4.049 4.170 0.032 0.000 0.254 427 I C 1.336 177.450 176.117 -0.005 0.000 1.160 427 I CA 1.103 62.433 61.300 0.051 0.000 1.445 427 I CB -0.335 37.685 38.000 0.033 0.000 1.086 427 I HN 0.452 nan 8.210 nan 0.000 0.433 428 E N 0.635 120.840 120.200 0.009 0.000 2.316 428 E HA 0.256 4.625 4.350 0.032 0.000 0.275 428 E C 1.070 177.663 176.600 -0.011 0.000 1.029 428 E CA 0.677 57.071 56.400 -0.010 0.000 0.871 428 E CB 0.533 30.232 29.700 -0.001 0.000 1.022 428 E HN 0.322 nan 8.360 nan 0.000 0.418 429 G N 3.504 112.281 108.800 -0.038 0.000 2.225 429 G HA2 -0.426 3.554 3.960 0.032 0.000 0.254 429 G HA3 -0.426 3.554 3.960 0.032 0.000 0.254 429 G C 0.940 175.783 174.900 -0.095 0.000 0.988 429 G CA 0.598 45.675 45.100 -0.037 0.000 0.625 429 G HN 0.684 nan 8.290 nan 0.000 0.527 430 Q N -0.362 119.328 119.800 -0.183 0.000 2.062 430 Q HA -0.301 4.058 4.340 0.032 0.000 0.216 430 Q C 2.526 178.261 176.000 -0.441 0.000 1.052 430 Q CA 2.653 58.166 55.803 -0.484 0.000 0.910 430 Q CB -0.278 28.236 28.738 -0.373 0.000 1.043 430 Q HN 0.581 nan 8.270 nan 0.000 0.425 431 I N 0.778 121.205 120.570 -0.238 0.000 2.226 431 I HA -0.222 3.967 4.170 0.032 0.000 0.245 431 I C 1.845 177.945 176.117 -0.028 0.000 1.100 431 I CA 1.396 62.623 61.300 -0.122 0.000 1.374 431 I CB -1.401 36.549 38.000 -0.083 0.000 1.057 431 I HN 0.275 nan 8.210 nan 0.000 0.413 432 D N 0.628 121.012 120.400 -0.026 0.000 2.075 432 D HA -0.195 4.464 4.640 0.032 0.000 0.196 432 D C 1.974 178.290 176.300 0.026 0.000 0.985 432 D CA 1.331 55.349 54.000 0.029 0.000 0.834 432 D CB -0.532 40.281 40.800 0.021 0.000 0.987 432 D HN 0.303 nan 8.370 nan 0.000 0.452 433 D N 0.303 120.713 120.400 0.017 0.000 2.192 433 D HA -0.208 4.451 4.640 0.032 0.000 0.189 433 D C 2.235 178.603 176.300 0.114 0.000 1.007 433 D CA 1.034 55.083 54.000 0.081 0.000 0.859 433 D CB -0.125 40.772 40.800 0.161 0.000 0.936 433 D HN 0.101 nan 8.370 nan 0.000 0.447 434 L N 0.947 122.213 121.223 0.071 0.000 1.989 434 L HA -0.200 4.159 4.340 0.032 0.000 0.211 434 L C 2.469 179.386 176.870 0.077 0.000 1.071 434 L CA 1.442 56.352 54.840 0.116 0.000 0.749 434 L CB -0.690 41.376 42.059 0.011 0.000 0.890 434 L HN 0.089 nan 8.230 nan 0.000 0.431 435 I N 0.372 120.973 120.570 0.052 0.000 2.145 435 I HA -0.295 3.894 4.170 0.032 0.000 0.244 435 I C 2.533 178.667 176.117 0.027 0.000 1.075 435 I CA 1.802 63.122 61.300 0.034 0.000 1.332 435 I CB -2.207 35.819 38.000 0.045 0.000 1.033 435 I HN 0.503 nan 8.210 nan 0.000 0.410 436 G N 0.072 108.896 108.800 0.040 0.000 2.421 436 G HA2 -0.168 3.811 3.960 0.032 0.000 0.217 436 G HA3 -0.168 3.811 3.960 0.032 0.000 0.217 436 G C 1.523 176.446 174.900 0.039 0.000 1.143 436 G CA 0.153 45.274 45.100 0.035 0.000 0.784 436 G HN 0.338 nan 8.290 nan 0.000 0.541 437 E N 0.502 120.737 120.200 0.058 0.000 2.106 437 E HA -0.028 4.341 4.350 0.032 0.000 0.192 437 E C 2.557 179.184 176.600 0.046 0.000 0.984 437 E CA 0.347 56.781 56.400 0.058 0.000 0.806 437 E CB -0.113 29.639 29.700 0.086 0.000 0.750 437 E HN 0.500 nan 8.360 nan 0.000 0.458 438 I N 1.291 121.888 120.570 0.044 0.000 2.133 438 I HA -0.288 3.902 4.170 0.032 0.000 0.238 438 I C 2.588 178.716 176.117 0.019 0.000 1.074 438 I CA 0.971 62.290 61.300 0.031 0.000 1.342 438 I CB -0.341 37.674 38.000 0.025 0.000 1.053 438 I HN 0.046 nan 8.210 nan 0.000 0.404 439 Q N 0.839 120.645 119.800 0.011 0.000 2.029 439 Q HA -0.291 4.068 4.340 0.032 0.000 0.209 439 Q C 2.432 178.438 176.000 0.010 0.000 0.999 439 Q CA 2.252 58.057 55.803 0.004 0.000 0.857 439 Q CB -0.816 27.921 28.738 -0.001 0.000 0.926 439 Q HN 0.602 nan 8.270 nan 0.000 0.415 440 A N 1.451 124.280 122.820 0.015 0.000 1.903 440 A HA -0.253 4.086 4.320 0.032 0.000 0.219 440 A C 2.097 179.690 177.584 0.015 0.000 1.191 440 A CA 1.824 53.870 52.037 0.015 0.000 0.638 440 A CB -0.413 18.598 19.000 0.018 0.000 0.823 440 A HN 0.173 nan 8.150 nan 0.000 0.451 441 R N -0.470 120.041 120.500 0.018 0.000 2.115 441 R HA 0.051 4.410 4.340 0.032 0.000 0.230 441 R C 1.932 178.242 176.300 0.017 0.000 1.111 441 R CA 1.116 57.228 56.100 0.019 0.000 0.976 441 R CB -0.956 29.359 30.300 0.025 0.000 0.870 441 R HN 0.689 nan 8.270 nan 0.000 0.445 442 I N 0.819 121.398 120.570 0.015 0.000 2.493 442 I HA -0.206 3.983 4.170 0.032 0.000 0.254 442 I C 1.512 177.635 176.117 0.009 0.000 1.160 442 I CA 1.197 62.505 61.300 0.013 0.000 1.445 442 I CB -0.155 37.851 38.000 0.010 0.000 1.086 442 I HN 0.203 nan 8.210 nan 0.000 0.433 443 E N 0.438 120.643 120.200 0.008 0.000 2.358 443 E HA -0.090 4.279 4.350 0.032 0.000 0.195 443 E C 1.187 177.790 176.600 0.006 0.000 1.010 443 E CA 0.412 56.816 56.400 0.006 0.000 0.856 443 E CB 0.169 29.873 29.700 0.006 0.000 0.795 443 E HN 0.340 nan 8.360 nan 0.000 0.504 444 R N 0.748 121.253 120.500 0.008 0.000 2.633 444 R HA 0.120 4.479 4.340 0.032 0.000 0.348 444 R C -0.292 176.013 176.300 0.008 0.000 1.100 444 R CA -0.222 55.883 56.100 0.008 0.000 1.068 444 R CB -0.065 30.240 30.300 0.009 0.000 1.351 444 R HN -0.018 nan 8.270 nan 0.000 0.575 445 N N 1.990 120.695 118.700 0.008 0.000 2.700 445 N HA -0.249 4.510 4.740 0.032 0.000 0.265 445 N C -1.239 174.278 175.510 0.012 0.000 0.975 445 N CA 0.968 54.023 53.050 0.009 0.000 0.800 445 N CB -0.372 38.118 38.487 0.005 0.000 0.908 445 N HN 0.453 nan 8.380 nan 0.000 0.551 446 E N -0.201 120.008 120.200 0.016 0.000 2.336 446 E HA 0.510 4.880 4.350 0.032 0.000 0.267 446 E C -0.267 176.350 176.600 0.027 0.000 0.906 446 E CA -1.009 55.403 56.400 0.020 0.000 0.781 446 E CB 1.155 30.866 29.700 0.017 0.000 1.261 446 E HN 0.163 nan 8.360 nan 0.000 0.436 447 R N 0.342 120.861 120.500 0.032 0.000 2.782 447 R HA 0.689 5.048 4.340 0.032 0.000 0.258 447 R C -0.761 175.564 176.300 0.041 0.000 1.055 447 R CA -0.936 55.190 56.100 0.042 0.000 1.065 447 R CB 0.924 31.255 30.300 0.052 0.000 1.172 447 R HN 0.242 nan 8.270 nan 0.000 0.510 448 V N 1.793 121.736 119.914 0.048 0.000 2.709 448 V HA 0.449 4.588 4.120 0.032 0.000 0.308 448 V C -0.347 175.776 176.094 0.049 0.000 1.062 448 V CA -0.882 61.446 62.300 0.046 0.000 0.901 448 V CB 2.286 34.138 31.823 0.048 0.000 1.003 448 V HN 0.444 nan 8.190 nan 0.000 0.425 449 L N 4.641 125.893 121.223 0.047 0.000 2.313 449 L HA 0.782 5.141 4.340 0.032 0.000 0.283 449 L C -0.506 176.397 176.870 0.056 0.000 1.013 449 L CA -0.827 54.042 54.840 0.049 0.000 0.816 449 L CB 1.837 43.923 42.059 0.045 0.000 1.236 449 L HN 0.550 nan 8.230 nan 0.000 0.419 450 V N 1.717 121.667 119.914 0.060 0.000 2.540 450 V HA 0.611 4.751 4.120 0.032 0.000 0.302 450 V C -0.349 175.786 176.094 0.067 0.000 1.035 450 V CA -0.084 62.257 62.300 0.069 0.000 0.873 450 V CB 2.098 33.965 31.823 0.074 0.000 0.992 450 V HN 0.819 nan 8.190 nan 0.000 0.428 451 T N 4.466 119.062 114.554 0.069 0.000 2.824 451 T HA 0.652 5.021 4.350 0.032 0.000 0.280 451 T C -0.122 174.617 174.700 0.064 0.000 0.995 451 T CA -0.002 62.139 62.100 0.067 0.000 1.009 451 T CB 1.144 70.048 68.868 0.059 0.000 0.955 451 T HN 0.994 nan 8.240 nan 0.000 0.452 452 T N 4.448 119.038 114.554 0.061 0.000 2.942 452 T HA 0.463 4.832 4.350 0.032 0.000 0.289 452 T C 1.391 176.123 174.700 0.053 0.000 1.044 452 T CA -0.769 61.357 62.100 0.044 0.000 1.023 452 T CB 1.333 70.213 68.868 0.019 0.000 1.123 452 T HN 0.587 nan 8.240 nan 0.000 0.512 453 L N 1.041 122.290 121.223 0.042 0.000 2.240 453 L HA 0.120 4.479 4.340 0.032 0.000 0.211 453 L C 1.200 178.102 176.870 0.054 0.000 1.106 453 L CA 0.795 55.666 54.840 0.051 0.000 0.793 453 L CB -0.080 42.002 42.059 0.040 0.000 0.927 453 L HN 0.756 nan 8.230 nan 0.000 0.446 454 T N -6.295 108.282 114.554 0.038 0.000 2.896 454 T HA 0.456 4.825 4.350 0.032 0.000 0.297 454 T C 0.672 175.392 174.700 0.033 0.000 1.108 454 T CA -0.175 61.946 62.100 0.034 0.000 1.004 454 T CB 2.131 71.006 68.868 0.012 0.000 1.159 454 T HN -0.061 nan 8.240 nan 0.000 0.499 455 K N 0.899 121.331 120.400 0.054 0.000 2.020 455 K HA -0.045 4.294 4.320 0.032 0.000 0.212 455 K C 2.718 179.297 176.600 -0.036 0.000 1.050 455 K CA 2.913 59.239 56.287 0.064 0.000 0.929 455 K CB -1.981 30.575 32.500 0.094 0.000 0.714 455 K HN 1.058 nan 8.250 nan 0.000 0.443 456 K N 0.434 120.819 120.400 -0.026 0.000 2.015 456 K HA -0.141 4.198 4.320 0.032 0.000 0.216 456 K C 2.404 178.952 176.600 -0.086 0.000 1.052 456 K CA 2.664 58.921 56.287 -0.050 0.000 0.937 456 K CB -0.922 31.559 32.500 -0.031 0.000 0.719 456 K HN 0.725 nan 8.250 nan 0.000 0.446 457 M N 0.726 120.284 119.600 -0.071 0.000 2.159 457 M HA -0.076 4.423 4.480 0.032 0.000 0.263 457 M C 2.303 178.531 176.300 -0.121 0.000 1.063 457 M CA 2.331 57.584 55.300 -0.079 0.000 1.110 457 M CB -0.045 32.525 32.600 -0.050 0.000 1.374 457 M HN 0.334 nan 8.290 nan 0.000 0.411 458 S N 0.441 116.044 115.700 -0.162 0.000 2.356 458 S HA -0.169 4.320 4.470 0.032 0.000 0.223 458 S C 1.801 176.106 174.600 -0.490 0.000 1.032 458 S CA 1.800 59.828 58.200 -0.288 0.000 1.005 458 S CB -0.403 62.618 63.200 -0.298 0.000 0.867 458 S HN 0.609 nan 8.310 nan 0.000 0.449 459 E N 0.786 120.670 120.200 -0.527 0.000 2.031 459 E HA -0.155 4.214 4.350 0.032 0.000 0.193 459 E C 1.758 178.224 176.600 -0.224 0.000 0.994 459 E CA 1.371 57.496 56.400 -0.459 0.000 0.800 459 E CB -0.083 29.462 29.700 -0.258 0.000 0.752 459 E HN 0.351 nan 8.360 nan 0.000 0.447 460 D N 0.514 120.824 120.400 -0.150 0.000 2.095 460 D HA -0.188 4.472 4.640 0.032 0.000 0.192 460 D C 1.998 178.276 176.300 -0.037 0.000 0.990 460 D CA 0.815 54.766 54.000 -0.081 0.000 0.836 460 D CB -0.657 40.092 40.800 -0.084 0.000 0.979 460 D HN 0.069 nan 8.370 nan 0.000 0.447 461 L N 0.924 122.121 121.223 -0.044 0.000 2.137 461 L HA -0.203 4.156 4.340 0.032 0.000 0.213 461 L C 2.024 178.919 176.870 0.041 0.000 1.085 461 L CA 1.915 56.773 54.840 0.030 0.000 0.760 461 L CB -1.049 41.006 42.059 -0.007 0.000 0.893 461 L HN -0.026 nan 8.230 nan 0.000 0.434 462 T N -0.368 114.158 114.554 -0.047 0.000 2.737 462 T HA -0.139 4.230 4.350 0.032 0.000 0.265 462 T C 1.472 176.177 174.700 0.009 0.000 1.038 462 T CA 1.490 63.569 62.100 -0.035 0.000 1.144 462 T CB -0.355 68.455 68.868 -0.095 0.000 0.866 462 T HN 0.465 nan 8.240 nan 0.000 0.434 463 D N 0.203 120.610 120.400 0.012 0.000 2.144 463 D HA -0.092 4.567 4.640 0.032 0.000 0.199 463 D C 1.780 178.142 176.300 0.103 0.000 0.984 463 D CA 0.902 54.928 54.000 0.044 0.000 0.834 463 D CB -0.418 40.400 40.800 0.030 0.000 0.955 463 D HN 0.329 nan 8.370 nan 0.000 0.465 464 Y N 1.737 122.017 120.300 -0.035 0.000 2.128 464 Y HA -0.176 4.393 4.550 0.032 0.000 0.284 464 Y C 2.275 178.166 175.900 -0.015 0.000 1.154 464 Y CA 1.049 59.133 58.100 -0.027 0.000 1.149 464 Y CB -0.637 37.801 38.460 -0.037 0.000 0.976 464 Y HN -0.078 nan 8.280 nan 0.000 0.505 465 L N -0.355 120.838 121.223 -0.050 0.000 2.017 465 L HA -0.251 4.108 4.340 0.032 0.000 0.208 465 L C 2.528 179.334 176.870 -0.106 0.000 1.073 465 L CA 1.741 56.494 54.840 -0.145 0.000 0.745 465 L CB -0.558 41.470 42.059 -0.051 0.000 0.894 465 L HN 0.108 nan 8.230 nan 0.000 0.432 466 K N 0.177 120.558 120.400 -0.031 0.000 2.009 466 K HA -0.224 4.116 4.320 0.032 0.000 0.210 466 K C 2.327 178.914 176.600 -0.021 0.000 1.049 466 K CA 1.903 58.187 56.287 -0.005 0.000 0.929 466 K CB -0.419 32.097 32.500 0.027 0.000 0.714 466 K HN 0.370 nan 8.250 nan 0.000 0.440 467 E N 1.177 121.370 120.200 -0.012 0.000 2.208 467 E HA -0.215 4.154 4.350 0.032 0.000 0.202 467 E C 1.595 178.164 176.600 -0.052 0.000 1.014 467 E CA 1.845 58.242 56.400 -0.005 0.000 0.819 467 E CB -0.715 29.019 29.700 0.057 0.000 0.735 467 E HN 0.184 nan 8.360 nan 0.000 0.469 468 I N -0.657 119.832 120.570 -0.135 0.000 3.684 468 I HA 0.336 4.525 4.170 0.032 0.000 0.304 468 I C 2.048 178.110 176.117 -0.092 0.000 1.278 468 I CA 0.558 61.765 61.300 -0.156 0.000 1.272 468 I CB -0.412 37.410 38.000 -0.297 0.000 1.029 468 I HN 0.474 nan 8.210 nan 0.000 0.458 469 G N 1.416 110.180 108.800 -0.059 0.000 2.141 469 G HA2 -0.259 3.720 3.960 0.032 0.000 0.242 469 G HA3 -0.259 3.720 3.960 0.032 0.000 0.242 469 G C 0.386 175.271 174.900 -0.024 0.000 0.982 469 G CA -0.192 44.890 45.100 -0.030 0.000 0.662 469 G HN 0.356 nan 8.290 nan 0.000 0.527 470 I N 0.461 121.009 120.570 -0.037 0.000 2.519 470 I HA 0.334 4.523 4.170 0.032 0.000 0.287 470 I C 0.585 176.718 176.117 0.027 0.000 1.047 470 I CA -0.331 60.961 61.300 -0.014 0.000 1.381 470 I CB 1.000 38.976 38.000 -0.039 0.000 1.417 470 I HN -0.030 nan 8.210 nan 0.000 0.540 471 K N 4.853 125.290 120.400 0.061 0.000 2.211 471 K HA 0.649 4.989 4.320 0.032 0.000 0.275 471 K C -1.246 175.476 176.600 0.203 0.000 1.024 471 K CA -0.320 56.050 56.287 0.139 0.000 0.887 471 K CB 1.523 34.093 32.500 0.116 0.000 1.084 471 K HN 0.255 nan 8.250 nan 0.000 0.463 472 V N 2.115 122.173 119.914 0.239 0.000 3.120 472 V HA 0.385 4.524 4.120 0.032 0.000 0.303 472 V C -1.289 174.707 176.094 -0.163 0.000 1.238 472 V CA -1.048 61.293 62.300 0.069 0.000 1.008 472 V CB 2.587 34.428 31.823 0.031 0.000 1.064 472 V HN 0.799 nan 8.190 nan 0.000 0.434 473 N N 0.454 118.949 118.700 -0.342 0.000 2.264 473 N HA 0.467 5.226 4.740 0.032 0.000 0.288 473 N C -1.771 173.667 175.510 -0.119 0.000 1.094 473 N CA -0.596 52.180 53.050 -0.457 0.000 0.817 473 N CB 2.143 40.007 38.487 -1.039 0.000 1.604 473 N HN 0.802 nan 8.380 nan 0.000 0.473 474 Y N 3.508 123.699 120.300 -0.182 0.000 2.367 474 Y HA 0.462 5.031 4.550 0.032 0.000 0.342 474 Y C -0.783 175.067 175.900 -0.085 0.000 0.979 474 Y CA -1.096 56.946 58.100 -0.097 0.000 1.161 474 Y CB 0.581 39.007 38.460 -0.058 0.000 1.155 474 Y HN 0.416 nan 8.280 nan 0.000 0.503 475 L N 7.364 128.532 121.223 -0.091 0.000 2.448 475 L HA 0.154 4.513 4.340 0.032 0.000 0.278 475 L C 1.049 177.620 176.870 -0.498 0.000 1.201 475 L CA 0.741 55.438 54.840 -0.239 0.000 1.036 475 L CB -1.201 40.816 42.059 -0.071 0.000 1.325 475 L HN 0.854 nan 8.230 nan 0.000 0.441 476 H N 0.611 119.168 119.070 -0.855 0.000 3.064 476 H HA 0.126 4.701 4.556 0.032 0.000 0.329 476 H C 1.368 176.533 175.328 -0.271 0.000 1.020 476 H CA 0.382 56.014 56.048 -0.693 0.000 1.402 476 H CB 0.183 29.629 29.762 -0.526 0.000 1.379 476 H HN 0.721 nan 8.280 nan 0.000 0.594 477 S N 2.071 117.684 115.700 -0.144 0.000 2.442 477 S HA -0.116 4.373 4.470 0.032 0.000 0.236 477 S C 2.279 176.843 174.600 -0.061 0.000 1.007 477 S CA 1.053 59.216 58.200 -0.061 0.000 0.965 477 S CB -0.112 63.078 63.200 -0.017 0.000 0.773 477 S HN 1.018 nan 8.310 nan 0.000 0.504 478 E N 0.864 121.017 120.200 -0.079 0.000 2.516 478 E HA 0.215 4.584 4.350 0.032 0.000 0.199 478 E C 0.552 177.115 176.600 -0.061 0.000 1.069 478 E CA 0.242 56.606 56.400 -0.061 0.000 0.876 478 E CB -0.713 28.954 29.700 -0.055 0.000 0.843 478 E HN 0.667 nan 8.360 nan 0.000 0.530 479 I N 1.572 122.095 120.570 -0.079 0.000 2.416 479 I HA 0.360 4.549 4.170 0.032 0.000 0.288 479 I C 1.031 177.131 176.117 -0.028 0.000 1.051 479 I CA -0.305 60.959 61.300 -0.061 0.000 1.375 479 I CB 1.250 39.199 38.000 -0.085 0.000 1.407 479 I HN 0.310 nan 8.210 nan 0.000 0.516 480 K N 3.834 124.225 120.400 -0.014 0.000 2.258 480 K HA 0.176 4.515 4.320 0.032 0.000 0.264 480 K C 0.927 177.533 176.600 0.011 0.000 1.007 480 K CA -0.121 56.167 56.287 0.002 0.000 0.941 480 K CB -0.093 32.411 32.500 0.007 0.000 0.966 480 K HN 0.733 nan 8.250 nan 0.000 0.480 481 T N 2.066 116.633 114.554 0.021 0.000 2.788 481 T HA -0.127 4.242 4.350 0.032 0.000 0.268 481 T C 1.936 176.655 174.700 0.032 0.000 1.044 481 T CA 0.929 63.047 62.100 0.030 0.000 1.139 481 T CB -0.105 68.787 68.868 0.040 0.000 0.867 481 T HN 0.459 nan 8.240 nan 0.000 0.454 482 L N 0.994 122.236 121.223 0.031 0.000 2.043 482 L HA -0.164 4.196 4.340 0.032 0.000 0.212 482 L C 2.610 179.501 176.870 0.035 0.000 1.075 482 L CA 1.967 56.827 54.840 0.034 0.000 0.752 482 L CB -0.759 41.320 42.059 0.034 0.000 0.891 482 L HN 0.446 nan 8.230 nan 0.000 0.432 483 E N -0.421 119.796 120.200 0.029 0.000 2.112 483 E HA -0.196 4.173 4.350 0.032 0.000 0.190 483 E C 2.346 178.964 176.600 0.030 0.000 0.979 483 E CA 1.206 57.624 56.400 0.029 0.000 0.814 483 E CB 0.188 29.898 29.700 0.017 0.000 0.762 483 E HN 0.402 nan 8.360 nan 0.000 0.460 484 R N 0.820 121.333 120.500 0.022 0.000 2.127 484 R HA -0.120 4.239 4.340 0.032 0.000 0.238 484 R C 2.065 178.389 176.300 0.039 0.000 1.134 484 R CA 1.721 57.834 56.100 0.022 0.000 0.975 484 R CB -1.391 28.921 30.300 0.020 0.000 0.865 484 R HN 0.265 nan 8.270 nan 0.000 0.447 485 I N 0.700 121.296 120.570 0.042 0.000 2.315 485 I HA -0.211 3.979 4.170 0.032 0.000 0.248 485 I C 2.430 178.579 176.117 0.055 0.000 1.117 485 I CA 1.544 62.873 61.300 0.047 0.000 1.404 485 I CB -0.223 37.803 38.000 0.043 0.000 1.071 485 I HN 0.476 nan 8.210 nan 0.000 0.419 486 E N 0.963 121.197 120.200 0.058 0.000 2.085 486 E HA -0.228 4.141 4.350 0.032 0.000 0.194 486 E C 2.275 178.936 176.600 0.102 0.000 0.994 486 E CA 1.417 57.859 56.400 0.069 0.000 0.801 486 E CB -0.181 29.560 29.700 0.068 0.000 0.743 486 E HN 0.504 nan 8.360 nan 0.000 0.453 487 I N 0.966 121.602 120.570 0.110 0.000 2.163 487 I HA -0.264 3.925 4.170 0.032 0.000 0.240 487 I C 2.423 178.633 176.117 0.156 0.000 1.081 487 I CA 0.960 62.356 61.300 0.160 0.000 1.353 487 I CB -0.244 37.797 38.000 0.069 0.000 1.054 487 I HN 0.055 nan 8.210 nan 0.000 0.407 488 I N 0.719 121.346 120.570 0.094 0.000 2.087 488 I HA -0.430 3.759 4.170 0.032 0.000 0.240 488 I C 3.233 179.403 176.117 0.089 0.000 1.054 488 I CA 2.278 63.629 61.300 0.085 0.000 1.311 488 I CB -0.927 37.110 38.000 0.061 0.000 1.024 488 I HN 0.250 nan 8.210 nan 0.000 0.402 489 R N 0.768 121.312 120.500 0.073 0.000 2.143 489 R HA -0.298 4.061 4.340 0.032 0.000 0.239 489 R C 1.893 178.229 176.300 0.061 0.000 1.126 489 R CA 2.504 58.638 56.100 0.056 0.000 0.927 489 R CB -2.044 28.282 30.300 0.043 0.000 0.860 489 R HN 0.439 nan 8.270 nan 0.000 0.433 490 D N 0.317 120.765 120.400 0.081 0.000 2.170 490 D HA -0.167 4.492 4.640 0.032 0.000 0.193 490 D C 1.972 178.321 176.300 0.081 0.000 1.004 490 D CA 1.753 55.781 54.000 0.047 0.000 0.860 490 D CB -0.419 40.417 40.800 0.060 0.000 0.931 490 D HN 0.347 nan 8.370 nan 0.000 0.448 491 L N 1.001 122.338 121.223 0.191 0.000 2.017 491 L HA -0.140 4.219 4.340 0.032 0.000 0.208 491 L C 2.281 179.205 176.870 0.089 0.000 1.073 491 L CA 1.635 56.581 54.840 0.178 0.000 0.745 491 L CB -0.268 41.890 42.059 0.165 0.000 0.894 491 L HN -0.115 nan 8.230 nan 0.000 0.432 492 R N -0.585 119.955 120.500 0.067 0.000 2.094 492 R HA -0.199 4.160 4.340 0.032 0.000 0.239 492 R C 2.238 178.552 176.300 0.023 0.000 1.137 492 R CA 2.160 58.283 56.100 0.040 0.000 0.943 492 R CB -0.859 29.460 30.300 0.032 0.000 0.850 492 R HN 0.389 nan 8.270 nan 0.000 0.433 493 L N -0.950 120.281 121.223 0.013 0.000 2.275 493 L HA -0.025 4.334 4.340 0.032 0.000 0.215 493 L C 1.536 178.397 176.870 -0.016 0.000 1.119 493 L CA 1.133 55.969 54.840 -0.007 0.000 0.790 493 L CB -0.146 41.900 42.059 -0.021 0.000 0.919 493 L HN 0.608 nan 8.230 nan 0.000 0.443 494 G N -0.895 107.900 108.800 -0.009 0.000 2.163 494 G HA2 -0.275 3.704 3.960 0.032 0.000 0.213 494 G HA3 -0.275 3.704 3.960 0.032 0.000 0.213 494 G C 1.038 175.899 174.900 -0.065 0.000 0.991 494 G CA 0.364 45.454 45.100 -0.016 0.000 0.653 494 G HN 0.250 nan 8.290 nan 0.000 0.518 495 K N -0.557 119.753 120.400 -0.149 0.000 2.211 495 K HA 0.073 4.412 4.320 0.032 0.000 0.203 495 K C 0.178 176.486 176.600 -0.488 0.000 1.050 495 K CA 0.732 56.818 56.287 -0.335 0.000 0.945 495 K CB -0.044 32.170 32.500 -0.475 0.000 0.732 495 K HN 0.532 nan 8.250 nan 0.000 0.451 496 Y N -0.537 119.773 120.300 0.017 0.000 2.524 496 Y HA 0.176 4.745 4.550 0.032 0.000 0.344 496 Y C 0.552 176.462 175.900 0.017 0.000 1.012 496 Y CA -1.167 56.945 58.100 0.019 0.000 1.068 496 Y CB 1.808 40.284 38.460 0.027 0.000 1.249 496 Y HN -0.122 nan 8.280 nan 0.000 0.468 497 D N 0.599 121.109 120.400 0.182 0.000 2.423 497 D HA 0.160 4.820 4.640 0.032 0.000 0.208 497 D C -0.543 175.814 176.300 0.094 0.000 1.068 497 D CA 0.799 54.862 54.000 0.105 0.000 0.860 497 D CB 1.159 41.997 40.800 0.064 0.000 0.992 497 D HN 0.149 nan 8.370 nan 0.000 0.504 498 V N 1.479 121.455 119.914 0.103 0.000 2.841 498 V HA 0.386 4.525 4.120 0.032 0.000 0.310 498 V C -0.439 175.682 176.094 0.045 0.000 1.090 498 V CA -0.812 61.528 62.300 0.066 0.000 0.930 498 V CB 3.168 35.020 31.823 0.048 0.000 1.014 498 V HN -0.095 nan 8.190 nan 0.000 0.425 499 L N 3.670 124.914 121.223 0.035 0.000 2.329 499 L HA 0.736 5.095 4.340 0.032 0.000 0.279 499 L C -0.972 175.921 176.870 0.038 0.000 1.014 499 L CA -0.780 54.067 54.840 0.012 0.000 0.814 499 L CB 2.123 44.193 42.059 0.018 0.000 1.257 499 L HN 0.399 nan 8.230 nan 0.000 0.424 500 V N 2.032 121.979 119.914 0.055 0.000 2.540 500 V HA 0.903 5.042 4.120 0.032 0.000 0.302 500 V C 0.250 176.444 176.094 0.167 0.000 1.035 500 V CA -0.339 62.013 62.300 0.086 0.000 0.873 500 V CB 1.687 33.544 31.823 0.055 0.000 0.992 500 V HN 0.960 nan 8.190 nan 0.000 0.428 501 G N 2.491 111.379 108.800 0.147 0.000 2.663 501 G HA2 0.598 4.577 3.960 0.032 0.000 0.299 501 G HA3 0.598 4.577 3.960 0.032 0.000 0.299 501 G C -0.051 174.937 174.900 0.147 0.000 1.372 501 G CA -0.480 44.733 45.100 0.189 0.000 0.781 501 G HN 0.469 nan 8.290 nan 0.000 0.491 502 I N -0.574 120.085 120.570 0.148 0.000 2.522 502 I HA 0.146 4.335 4.170 0.032 0.000 0.240 502 I C 0.493 176.676 176.117 0.109 0.000 1.078 502 I CA 0.133 61.506 61.300 0.122 0.000 1.422 502 I CB 0.157 38.233 38.000 0.127 0.000 1.188 502 I HN 0.238 nan 8.210 nan 0.000 0.442 503 N N 1.577 120.343 118.700 0.110 0.000 2.426 503 N HA 0.278 5.037 4.740 0.032 0.000 0.257 503 N C 0.124 175.685 175.510 0.086 0.000 1.002 503 N CA 0.046 53.163 53.050 0.112 0.000 0.942 503 N CB 1.318 39.891 38.487 0.144 0.000 1.112 503 N HN 0.150 nan 8.380 nan 0.000 0.499 504 L N 3.327 124.594 121.223 0.074 0.000 2.607 504 L HA 0.191 4.550 4.340 0.032 0.000 0.228 504 L C 1.310 178.222 176.870 0.069 0.000 1.123 504 L CA 0.216 55.094 54.840 0.064 0.000 0.890 504 L CB 0.124 42.215 42.059 0.053 0.000 1.103 504 L HN 0.468 nan 8.230 nan 0.000 0.468 505 L N 0.121 121.392 121.223 0.081 0.000 2.599 505 L HA 0.074 4.434 4.340 0.032 0.000 0.230 505 L C 1.639 178.578 176.870 0.115 0.000 1.141 505 L CA -0.299 54.599 54.840 0.097 0.000 0.877 505 L CB -1.050 41.069 42.059 0.100 0.000 1.009 505 L HN 0.250 nan 8.230 nan 0.000 0.447 506 R N 1.560 122.120 120.500 0.100 0.000 2.643 506 R HA 0.076 4.435 4.340 0.032 0.000 0.270 506 R C 0.315 176.674 176.300 0.099 0.000 1.061 506 R CA -0.371 55.787 56.100 0.097 0.000 1.107 506 R CB -0.186 30.157 30.300 0.071 0.000 0.999 506 R HN 0.199 nan 8.270 nan 0.000 0.460 507 E N 0.895 121.161 120.200 0.110 0.000 2.452 507 E HA 0.281 4.650 4.350 0.032 0.000 0.261 507 E C 1.337 177.984 176.600 0.078 0.000 0.987 507 E CA 1.627 58.090 56.400 0.106 0.000 0.926 507 E CB 0.283 30.044 29.700 0.102 0.000 0.934 507 E HN 1.358 nan 8.360 nan 0.000 0.452 508 G N 3.632 112.477 108.800 0.075 0.000 2.148 508 G HA2 -0.290 3.690 3.960 0.032 0.000 0.254 508 G HA3 -0.290 3.690 3.960 0.032 0.000 0.254 508 G C 0.613 175.548 174.900 0.058 0.000 0.981 508 G CA 0.382 45.519 45.100 0.062 0.000 0.670 508 G HN 0.531 nan 8.290 nan 0.000 0.528 509 L N 0.412 121.672 121.223 0.063 0.000 2.627 509 L HA 0.217 4.576 4.340 0.032 0.000 0.233 509 L C 0.521 177.422 176.870 0.051 0.000 1.144 509 L CA 0.097 54.970 54.840 0.056 0.000 0.892 509 L CB 0.197 42.291 42.059 0.058 0.000 1.039 509 L HN 0.078 nan 8.230 nan 0.000 0.442 510 D N 1.545 121.975 120.400 0.051 0.000 2.441 510 D HA 0.285 4.944 4.640 0.032 0.000 0.221 510 D C -0.331 175.990 176.300 0.036 0.000 1.156 510 D CA 0.199 54.225 54.000 0.043 0.000 0.896 510 D CB 0.762 41.590 40.800 0.046 0.000 1.028 510 D HN 0.126 nan 8.370 nan 0.000 0.509 511 I N 0.606 121.195 120.570 0.032 0.000 2.499 511 I HA 0.400 4.589 4.170 0.032 0.000 0.288 511 I C -2.372 173.759 176.117 0.023 0.000 1.048 511 I CA -2.635 58.682 61.300 0.029 0.000 1.062 511 I CB 3.212 41.234 38.000 0.036 0.000 1.238 511 I HN -0.153 nan 8.210 nan 0.000 0.426 512 P HA -0.006 nan 4.420 nan 0.000 0.221 512 P C 0.647 177.955 177.300 0.014 0.000 1.150 512 P CA 1.116 64.223 63.100 0.012 0.000 0.800 512 P CB 0.233 31.937 31.700 0.007 0.000 0.787 513 E N -0.854 119.356 120.200 0.017 0.000 2.478 513 E HA -0.010 4.359 4.350 0.032 0.000 0.198 513 E C 0.282 176.895 176.600 0.023 0.000 1.046 513 E CA 0.251 56.662 56.400 0.019 0.000 0.870 513 E CB -0.529 29.183 29.700 0.021 0.000 0.818 513 E HN 0.055 nan 8.360 nan 0.000 0.527 514 V N 1.974 121.903 119.914 0.025 0.000 2.405 514 V HA 0.012 4.151 4.120 0.032 0.000 0.264 514 V C 1.099 177.206 176.094 0.021 0.000 1.048 514 V CA 0.626 62.942 62.300 0.027 0.000 0.966 514 V CB 1.127 32.968 31.823 0.030 0.000 1.015 514 V HN 0.277 nan 8.190 nan 0.000 0.477 515 S N 4.981 120.693 115.700 0.020 0.000 2.539 515 S HA 0.351 4.840 4.470 0.032 0.000 0.221 515 S C -0.197 174.412 174.600 0.014 0.000 0.987 515 S CA -0.172 58.036 58.200 0.015 0.000 0.929 515 S CB 0.211 63.419 63.200 0.014 0.000 0.832 515 S HN 0.525 nan 8.310 nan 0.000 0.492 516 L N 0.756 121.990 121.223 0.018 0.000 2.513 516 L HA 0.702 5.062 4.340 0.032 0.000 0.261 516 L C -1.899 174.985 176.870 0.024 0.000 0.945 516 L CA -0.573 54.277 54.840 0.017 0.000 0.848 516 L CB 2.205 44.277 42.059 0.022 0.000 1.334 516 L HN -0.041 nan 8.230 nan 0.000 0.407 517 V N 4.438 124.362 119.914 0.016 0.000 2.376 517 V HA 0.823 4.962 4.120 0.032 0.000 0.287 517 V C 0.225 176.332 176.094 0.023 0.000 1.015 517 V CA -0.175 62.138 62.300 0.022 0.000 0.834 517 V CB 1.338 33.169 31.823 0.014 0.000 1.001 517 V HN 0.972 nan 8.190 nan 0.000 0.428 518 A N 6.768 129.623 122.820 0.058 0.000 2.289 518 A HA 0.801 5.141 4.320 0.032 0.000 0.298 518 A C -0.351 177.295 177.584 0.104 0.000 1.208 518 A CA -0.346 51.750 52.037 0.098 0.000 0.845 518 A CB 0.243 19.367 19.000 0.206 0.000 1.125 518 A HN 0.793 nan 8.150 nan 0.000 0.517 519 I N 4.445 125.065 120.570 0.084 0.000 2.388 519 I HA 0.185 4.374 4.170 0.032 0.000 0.281 519 I C -0.453 175.761 176.117 0.161 0.000 1.046 519 I CA -0.181 61.170 61.300 0.084 0.000 1.187 519 I CB 0.723 38.737 38.000 0.024 0.000 1.351 519 I HN 0.537 nan 8.210 nan 0.000 0.472 520 L N 5.357 126.684 121.223 0.173 0.000 2.439 520 L HA 0.162 4.521 4.340 0.032 0.000 0.269 520 L C 0.747 177.678 176.870 0.101 0.000 1.179 520 L CA 0.005 54.944 54.840 0.164 0.000 0.828 520 L CB 0.118 42.224 42.059 0.079 0.000 1.106 520 L HN 0.622 nan 8.230 nan 0.000 0.467 521 D N 1.657 122.113 120.400 0.094 0.000 2.723 521 D HA -0.209 4.450 4.640 0.032 0.000 0.236 521 D C 1.040 177.369 176.300 0.048 0.000 1.138 521 D CA 0.840 54.875 54.000 0.057 0.000 0.676 521 D CB -0.136 40.687 40.800 0.038 0.000 1.069 521 D HN 0.794 nan 8.370 nan 0.000 0.430 522 A N 0.585 123.438 122.820 0.054 0.000 2.067 522 A HA -0.174 4.166 4.320 0.032 0.000 0.219 522 A C 1.664 179.257 177.584 0.014 0.000 1.158 522 A CA 1.663 53.716 52.037 0.027 0.000 0.661 522 A CB 0.081 19.091 19.000 0.017 0.000 0.801 522 A HN 0.343 nan 8.150 nan 0.000 0.452 523 D N -1.259 119.153 120.400 0.020 0.000 2.339 523 D HA 0.026 4.685 4.640 0.032 0.000 0.217 523 D C 0.900 177.207 176.300 0.011 0.000 1.050 523 D CA 0.224 54.231 54.000 0.012 0.000 0.856 523 D CB -0.056 40.752 40.800 0.014 0.000 0.922 523 D HN 0.054 nan 8.370 nan 0.000 0.518 524 K N 0.636 121.046 120.400 0.016 0.000 2.505 524 K HA 0.047 4.386 4.320 0.032 0.000 0.192 524 K C 0.651 177.261 176.600 0.017 0.000 1.025 524 K CA -0.056 56.242 56.287 0.017 0.000 1.086 524 K CB 0.005 32.519 32.500 0.023 0.000 0.840 524 K HN 0.119 nan 8.250 nan 0.000 0.514 525 E N -0.683 119.521 120.200 0.008 0.000 3.304 525 E HA -0.320 4.049 4.350 0.032 0.000 0.365 525 E C 0.939 177.549 176.600 0.016 0.000 1.512 525 E CA 1.855 58.258 56.400 0.005 0.000 1.642 525 E CB -1.459 28.246 29.700 0.008 0.000 1.738 525 E HN 0.368 nan 8.360 nan 0.000 0.483 526 G N 0.125 108.946 108.800 0.035 0.000 2.575 526 G HA2 -0.350 3.629 3.960 0.032 0.000 0.267 526 G HA3 -0.350 3.629 3.960 0.032 0.000 0.267 526 G C 0.432 175.395 174.900 0.106 0.000 1.264 526 G CA 1.261 46.406 45.100 0.075 0.000 0.935 526 G HN 0.616 nan 8.290 nan 0.000 0.568 527 F N 0.482 120.436 119.950 0.007 0.000 2.187 527 F HA 0.309 4.855 4.527 0.032 0.000 0.295 527 F C 2.532 178.340 175.800 0.012 0.000 1.091 527 F CA 1.967 59.972 58.000 0.009 0.000 1.308 527 F CB -0.173 38.832 39.000 0.008 0.000 1.030 527 F HN 0.218 nan 8.300 nan 0.000 0.487 528 L N 0.108 121.351 121.223 0.033 0.000 2.552 528 L HA 0.040 4.399 4.340 0.032 0.000 0.227 528 L C 0.887 177.692 176.870 -0.109 0.000 1.146 528 L CA 0.448 55.252 54.840 -0.059 0.000 0.858 528 L CB -0.262 41.853 42.059 0.093 0.000 0.969 528 L HN 0.011 nan 8.230 nan 0.000 0.451 529 R N -0.750 119.694 120.500 -0.094 0.000 2.637 529 R HA 0.207 4.566 4.340 0.032 0.000 0.446 529 R C 0.301 176.553 176.300 -0.081 0.000 1.024 529 R CA -0.032 56.026 56.100 -0.069 0.000 1.080 529 R CB 0.387 30.674 30.300 -0.023 0.000 1.421 529 R HN 0.188 nan 8.270 nan 0.000 0.593 530 S N -0.480 115.139 115.700 -0.134 0.000 2.634 530 S HA 0.118 4.607 4.470 0.032 0.000 0.261 530 S C 1.252 175.784 174.600 -0.114 0.000 1.271 530 S CA -0.569 57.561 58.200 -0.116 0.000 0.985 530 S CB 1.880 64.982 63.200 -0.164 0.000 0.968 530 S HN 0.313 nan 8.310 nan 0.000 0.568 531 E N 0.760 120.907 120.200 -0.089 0.000 2.110 531 E HA -0.237 4.133 4.350 0.032 0.000 0.193 531 E C 1.806 178.343 176.600 -0.105 0.000 0.988 531 E CA 1.101 57.453 56.400 -0.081 0.000 0.804 531 E CB -0.102 29.561 29.700 -0.062 0.000 0.745 531 E HN 0.654 nan 8.360 nan 0.000 0.458 532 R N 0.542 120.965 120.500 -0.127 0.000 2.070 532 R HA -0.037 4.322 4.340 0.032 0.000 0.233 532 R C 2.632 178.827 176.300 -0.174 0.000 1.137 532 R CA 1.693 57.698 56.100 -0.158 0.000 0.945 532 R CB -1.066 29.148 30.300 -0.143 0.000 0.845 532 R HN 0.012 nan 8.270 nan 0.000 0.430 533 S N 0.591 116.156 115.700 -0.225 0.000 2.368 533 S HA 0.017 4.506 4.470 0.032 0.000 0.225 533 S C 1.856 176.379 174.600 -0.128 0.000 1.030 533 S CA 0.946 59.014 58.200 -0.219 0.000 0.999 533 S CB -0.254 62.755 63.200 -0.318 0.000 0.844 533 S HN 0.147 nan 8.310 nan 0.000 0.459 534 L N 0.807 121.962 121.223 -0.113 0.000 1.994 534 L HA -0.137 4.223 4.340 0.032 0.000 0.208 534 L C 2.242 179.073 176.870 -0.065 0.000 1.071 534 L CA 1.354 56.148 54.840 -0.075 0.000 0.745 534 L CB -0.646 41.373 42.059 -0.066 0.000 0.892 534 L HN 0.315 nan 8.230 nan 0.000 0.431 535 I N -0.570 119.955 120.570 -0.075 0.000 2.091 535 I HA -0.345 3.844 4.170 0.032 0.000 0.239 535 I C 2.796 178.879 176.117 -0.057 0.000 1.061 535 I CA 1.348 62.608 61.300 -0.067 0.000 1.317 535 I CB -0.408 37.544 38.000 -0.080 0.000 1.031 535 I HN 0.366 nan 8.210 nan 0.000 0.401 536 Q N 0.049 119.808 119.800 -0.068 0.000 2.181 536 Q HA -0.192 4.167 4.340 0.032 0.000 0.205 536 Q C 2.257 178.250 176.000 -0.012 0.000 0.980 536 Q CA 2.133 57.915 55.803 -0.035 0.000 0.862 536 Q CB -0.739 27.984 28.738 -0.026 0.000 0.905 536 Q HN 0.559 nan 8.270 nan 0.000 0.429 537 T N 1.457 115.996 114.554 -0.023 0.000 2.770 537 T HA -0.040 4.329 4.350 0.032 0.000 0.263 537 T C 2.081 176.777 174.700 -0.007 0.000 1.039 537 T CA 0.723 62.818 62.100 -0.008 0.000 1.142 537 T CB -0.208 68.651 68.868 -0.015 0.000 0.868 537 T HN 0.168 nan 8.240 nan 0.000 0.435 538 I N 1.525 122.084 120.570 -0.019 0.000 2.194 538 I HA -0.192 3.997 4.170 0.032 0.000 0.246 538 I C 2.879 178.989 176.117 -0.011 0.000 1.093 538 I CA 1.353 62.642 61.300 -0.018 0.000 1.355 538 I CB -0.872 37.112 38.000 -0.027 0.000 1.046 538 I HN 0.339 nan 8.210 nan 0.000 0.413 539 G N 1.063 109.856 108.800 -0.011 0.000 2.597 539 G HA2 -0.316 3.663 3.960 0.032 0.000 0.222 539 G HA3 -0.316 3.663 3.960 0.032 0.000 0.222 539 G C 1.665 176.571 174.900 0.010 0.000 1.135 539 G CA 0.853 45.953 45.100 -0.001 0.000 0.759 539 G HN 0.235 nan 8.290 nan 0.000 0.595 540 R N 0.694 121.203 120.500 0.015 0.000 2.189 540 R HA 0.118 4.477 4.340 0.032 0.000 0.223 540 R C 2.528 178.838 176.300 0.016 0.000 1.092 540 R CA 0.944 57.057 56.100 0.022 0.000 0.989 540 R CB -0.970 29.347 30.300 0.029 0.000 0.876 540 R HN 0.404 nan 8.270 nan 0.000 0.457 541 A N 0.653 123.478 122.820 0.009 0.000 2.238 541 A HA 0.262 4.601 4.320 0.032 0.000 0.208 541 A C 1.660 179.246 177.584 0.003 0.000 1.177 541 A CA 0.729 52.770 52.037 0.007 0.000 0.804 541 A CB 0.010 19.011 19.000 0.002 0.000 0.823 541 A HN 0.209 nan 8.150 nan 0.000 0.482 542 A N -0.301 122.520 122.820 0.002 0.000 2.411 542 A HA 0.215 4.554 4.320 0.032 0.000 0.251 542 A C 1.262 178.846 177.584 -0.001 0.000 1.317 542 A CA -0.270 51.767 52.037 -0.002 0.000 0.904 542 A CB -0.210 18.787 19.000 -0.005 0.000 0.993 542 A HN 0.313 nan 8.150 nan 0.000 0.504 543 R N 0.659 121.161 120.500 0.004 0.000 2.552 543 R HA 0.200 4.559 4.340 0.032 0.000 0.314 543 R C -0.452 175.850 176.300 0.002 0.000 1.041 543 R CA -0.045 56.057 56.100 0.003 0.000 1.076 543 R CB -0.139 30.166 30.300 0.008 0.000 1.290 543 R HN 0.458 nan 8.270 nan 0.000 0.563 544 N N -0.409 118.292 118.700 0.002 0.000 2.324 544 N HA 0.151 4.910 4.740 0.032 0.000 0.285 544 N C -0.015 175.496 175.510 0.002 0.000 1.076 544 N CA -0.015 53.036 53.050 0.003 0.000 0.864 544 N CB 2.110 40.601 38.487 0.007 0.000 1.632 544 N HN -0.027 nan 8.380 nan 0.000 0.478 545 A N 2.138 124.960 122.820 0.002 0.000 2.125 545 A HA -0.076 4.263 4.320 0.032 0.000 0.219 545 A C 1.046 178.632 177.584 0.003 0.000 1.156 545 A CA 1.321 53.360 52.037 0.003 0.000 0.671 545 A CB 0.009 19.011 19.000 0.003 0.000 0.794 545 A HN 0.717 nan 8.150 nan 0.000 0.459 546 E N -0.525 119.677 120.200 0.003 0.000 2.562 546 E HA 0.131 4.501 4.350 0.032 0.000 0.214 546 E C 0.993 177.594 176.600 0.002 0.000 0.979 546 E CA 0.297 56.699 56.400 0.003 0.000 1.002 546 E CB -0.102 29.601 29.700 0.004 0.000 1.048 546 E HN 0.462 nan 8.360 nan 0.000 0.488 547 G N 1.989 110.791 108.800 0.002 0.000 2.241 547 G HA2 -0.048 3.932 3.960 0.032 0.000 0.235 547 G HA3 -0.048 3.932 3.960 0.032 0.000 0.235 547 G C 0.021 174.919 174.900 -0.004 0.000 1.127 547 G CA 0.263 45.364 45.100 0.001 0.000 0.867 547 G HN 0.045 nan 8.290 nan 0.000 0.473 548 R N -0.036 120.461 120.500 -0.005 0.000 2.739 548 R HA 0.576 4.935 4.340 0.032 0.000 0.271 548 R C -1.479 174.809 176.300 -0.019 0.000 1.010 548 R CA -0.893 55.199 56.100 -0.014 0.000 0.897 548 R CB 2.599 32.890 30.300 -0.014 0.000 1.236 548 R HN 0.394 nan 8.270 nan 0.000 0.466 549 V N 2.847 122.741 119.914 -0.035 0.000 2.577 549 V HA 0.485 4.624 4.120 0.032 0.000 0.303 549 V C -0.639 175.401 176.094 -0.091 0.000 1.042 549 V CA -0.659 61.612 62.300 -0.048 0.000 0.872 549 V CB 1.983 33.781 31.823 -0.042 0.000 0.998 549 V HN 0.550 nan 8.190 nan 0.000 0.423 550 I N 5.368 125.859 120.570 -0.131 0.000 2.330 550 I HA 0.450 4.639 4.170 0.032 0.000 0.289 550 I C -0.068 175.853 176.117 -0.328 0.000 1.001 550 I CA -0.175 60.957 61.300 -0.280 0.000 1.193 550 I CB 1.380 39.136 38.000 -0.406 0.000 1.345 550 I HN 0.427 nan 8.210 nan 0.000 0.461 551 M N 6.560 125.989 119.600 -0.285 0.000 2.080 551 M HA 0.369 4.868 4.480 0.032 0.000 0.350 551 M C -1.242 174.902 176.300 -0.260 0.000 1.173 551 M CA -0.498 54.684 55.300 -0.197 0.000 1.052 551 M CB 0.697 33.237 32.600 -0.100 0.000 1.577 551 M HN 0.346 nan 8.290 nan 0.000 0.455 552 Y N 2.277 122.577 120.300 0.001 0.000 2.365 552 Y HA 0.604 5.173 4.550 0.032 0.000 0.340 552 Y C 0.342 176.241 175.900 -0.001 0.000 1.016 552 Y CA -0.420 57.680 58.100 0.001 0.000 1.196 552 Y CB 0.810 39.272 38.460 0.003 0.000 1.167 552 Y HN 0.753 nan 8.280 nan 0.000 0.509 553 A N 2.285 125.176 122.820 0.118 0.000 2.577 553 A HA 0.423 4.762 4.320 0.032 0.000 0.297 553 A C -0.552 177.061 177.584 0.048 0.000 1.060 553 A CA -0.788 51.287 52.037 0.063 0.000 0.697 553 A CB 1.172 20.189 19.000 0.027 0.000 1.281 553 A HN 0.610 nan 8.150 nan 0.000 0.402 554 D N 0.392 120.813 120.400 0.036 0.000 2.367 554 D HA 0.138 4.797 4.640 0.032 0.000 0.207 554 D C 0.385 176.694 176.300 0.016 0.000 1.034 554 D CA 1.173 55.189 54.000 0.026 0.000 0.861 554 D CB 0.455 41.268 40.800 0.022 0.000 0.943 554 D HN 0.700 nan 8.370 nan 0.000 0.515 555 K N -0.743 119.664 120.400 0.012 0.000 2.499 555 K HA 0.490 4.829 4.320 0.032 0.000 0.277 555 K C -1.077 175.524 176.600 0.002 0.000 1.025 555 K CA -0.814 55.477 56.287 0.006 0.000 0.900 555 K CB 1.711 34.214 32.500 0.005 0.000 1.494 555 K HN -0.334 nan 8.250 nan 0.000 0.442 556 I N 2.728 123.297 120.570 -0.002 0.000 2.359 556 I HA 0.163 4.352 4.170 0.032 0.000 0.284 556 I C 0.186 176.299 176.117 -0.008 0.000 1.018 556 I CA -0.381 60.915 61.300 -0.007 0.000 1.173 556 I CB 0.706 38.700 38.000 -0.010 0.000 1.326 556 I HN 0.883 nan 8.210 nan 0.000 0.462 557 T N 1.781 116.330 114.554 -0.008 0.000 2.849 557 T HA 0.223 4.592 4.350 0.032 0.000 0.284 557 T C 1.229 175.921 174.700 -0.013 0.000 1.004 557 T CA -0.562 61.532 62.100 -0.009 0.000 1.021 557 T CB 1.916 70.780 68.868 -0.008 0.000 1.013 557 T HN 0.627 nan 8.240 nan 0.000 0.527 558 K N 0.714 121.106 120.400 -0.012 0.000 2.059 558 K HA -0.197 4.142 4.320 0.032 0.000 0.212 558 K C 2.486 179.073 176.600 -0.020 0.000 1.050 558 K CA 1.989 58.267 56.287 -0.015 0.000 0.927 558 K CB -0.595 31.897 32.500 -0.013 0.000 0.714 558 K HN 0.614 nan 8.250 nan 0.000 0.447 559 S N 0.671 116.358 115.700 -0.023 0.000 2.353 559 S HA -0.189 4.301 4.470 0.032 0.000 0.222 559 S C 1.907 176.488 174.600 -0.033 0.000 1.035 559 S CA 1.858 60.039 58.200 -0.031 0.000 1.025 559 S CB -0.218 62.961 63.200 -0.035 0.000 0.902 559 S HN 0.315 nan 8.310 nan 0.000 0.440 560 M N 0.953 120.536 119.600 -0.028 0.000 2.080 560 M HA -0.184 4.316 4.480 0.032 0.000 0.260 560 M C 2.299 178.583 176.300 -0.027 0.000 1.068 560 M CA 1.507 56.790 55.300 -0.028 0.000 1.109 560 M CB -0.552 32.035 32.600 -0.022 0.000 1.342 560 M HN 0.358 nan 8.290 nan 0.000 0.405 561 E N 0.606 120.792 120.200 -0.023 0.000 2.038 561 E HA -0.201 4.168 4.350 0.032 0.000 0.195 561 E C 1.892 178.477 176.600 -0.024 0.000 1.000 561 E CA 1.521 57.908 56.400 -0.022 0.000 0.803 561 E CB -0.210 29.479 29.700 -0.018 0.000 0.750 561 E HN 0.518 nan 8.360 nan 0.000 0.448 562 I N 0.962 121.517 120.570 -0.026 0.000 2.226 562 I HA -0.275 3.914 4.170 0.032 0.000 0.245 562 I C 2.592 178.689 176.117 -0.033 0.000 1.100 562 I CA 0.959 62.242 61.300 -0.028 0.000 1.374 562 I CB -0.449 37.533 38.000 -0.030 0.000 1.057 562 I HN 0.086 nan 8.210 nan 0.000 0.413 563 A N 1.434 124.231 122.820 -0.037 0.000 1.858 563 A HA -0.168 4.171 4.320 0.032 0.000 0.216 563 A C 2.324 179.887 177.584 -0.036 0.000 1.190 563 A CA 1.655 53.667 52.037 -0.041 0.000 0.617 563 A CB -0.861 18.112 19.000 -0.046 0.000 0.827 563 A HN 0.363 nan 8.150 nan 0.000 0.443 564 I N -0.350 120.200 120.570 -0.033 0.000 2.202 564 I HA -0.263 3.926 4.170 0.032 0.000 0.242 564 I C 2.294 178.396 176.117 -0.026 0.000 1.091 564 I CA 1.603 62.886 61.300 -0.030 0.000 1.368 564 I CB -0.541 37.441 38.000 -0.030 0.000 1.058 564 I HN 0.342 nan 8.210 nan 0.000 0.410 565 N N 0.566 119.252 118.700 -0.024 0.000 2.061 565 N HA -0.209 4.550 4.740 0.032 0.000 0.193 565 N C 1.830 177.327 175.510 -0.020 0.000 1.030 565 N CA 1.305 54.343 53.050 -0.020 0.000 0.856 565 N CB -0.079 38.397 38.487 -0.019 0.000 1.023 565 N HN 0.241 nan 8.380 nan 0.000 0.424 566 E N -0.122 120.063 120.200 -0.024 0.000 2.085 566 E HA -0.129 4.240 4.350 0.032 0.000 0.194 566 E C 1.986 178.572 176.600 -0.024 0.000 0.994 566 E CA 1.250 57.635 56.400 -0.025 0.000 0.801 566 E CB -0.701 28.981 29.700 -0.030 0.000 0.743 566 E HN 0.431 nan 8.360 nan 0.000 0.453 567 T N 1.506 116.045 114.554 -0.026 0.000 2.684 567 T HA -0.153 4.216 4.350 0.032 0.000 0.267 567 T C 1.918 176.607 174.700 -0.019 0.000 1.036 567 T CA 1.513 63.599 62.100 -0.024 0.000 1.148 567 T CB -0.094 68.759 68.868 -0.026 0.000 0.863 567 T HN 0.137 nan 8.240 nan 0.000 0.436 568 K N 0.383 120.772 120.400 -0.018 0.000 2.097 568 K HA 0.032 4.371 4.320 0.032 0.000 0.205 568 K C 2.601 179.195 176.600 -0.010 0.000 1.050 568 K CA 0.635 56.914 56.287 -0.013 0.000 0.938 568 K CB -0.073 32.419 32.500 -0.013 0.000 0.718 568 K HN 0.154 nan 8.250 nan 0.000 0.442 569 R N 1.214 121.708 120.500 -0.011 0.000 2.070 569 R HA -0.114 4.246 4.340 0.032 0.000 0.233 569 R C 2.192 178.487 176.300 -0.008 0.000 1.137 569 R CA 1.450 57.545 56.100 -0.008 0.000 0.945 569 R CB -0.033 30.261 30.300 -0.010 0.000 0.845 569 R HN 0.085 nan 8.270 nan 0.000 0.430 570 R N 0.009 120.501 120.500 -0.014 0.000 2.097 570 R HA -0.197 4.162 4.340 0.032 0.000 0.236 570 R C 2.541 178.834 176.300 -0.012 0.000 1.135 570 R CA 2.079 58.168 56.100 -0.018 0.000 0.934 570 R CB -0.481 29.805 30.300 -0.025 0.000 0.846 570 R HN 0.244 nan 8.270 nan 0.000 0.431 571 R N 0.935 121.429 120.500 -0.009 0.000 2.139 571 R HA -0.200 4.160 4.340 0.032 0.000 0.243 571 R C 1.975 178.281 176.300 0.010 0.000 1.145 571 R CA 1.794 57.893 56.100 -0.002 0.000 0.976 571 R CB -0.090 30.208 30.300 -0.004 0.000 0.866 571 R HN 0.333 nan 8.270 nan 0.000 0.449 572 E N 0.052 120.257 120.200 0.009 0.000 2.072 572 E HA -0.194 4.175 4.350 0.032 0.000 0.190 572 E C 1.957 178.577 176.600 0.033 0.000 0.982 572 E CA 1.121 57.532 56.400 0.018 0.000 0.803 572 E CB 0.118 29.826 29.700 0.013 0.000 0.755 572 E HN 0.497 nan 8.360 nan 0.000 0.453 573 Q N -0.121 119.696 119.800 0.028 0.000 2.224 573 Q HA -0.163 4.197 4.340 0.032 0.000 0.203 573 Q C 1.966 178.006 176.000 0.067 0.000 0.970 573 Q CA 0.987 56.816 55.803 0.044 0.000 0.865 573 Q CB 0.047 28.795 28.738 0.016 0.000 0.922 573 Q HN 0.320 nan 8.270 nan 0.000 0.445 574 Q N 0.021 119.845 119.800 0.038 0.000 2.389 574 Q HA -0.075 4.284 4.340 0.032 0.000 0.204 574 Q C 1.208 177.269 176.000 0.101 0.000 0.944 574 Q CA 0.617 56.447 55.803 0.046 0.000 0.908 574 Q CB 0.385 29.125 28.738 0.002 0.000 1.002 574 Q HN 0.370 nan 8.270 nan 0.000 0.493 575 E N -0.121 120.128 120.200 0.082 0.000 2.216 575 E HA -0.004 4.365 4.350 0.032 0.000 0.192 575 E C 1.780 178.436 176.600 0.093 0.000 0.973 575 E CA -0.128 56.318 56.400 0.077 0.000 0.851 575 E CB 0.238 29.966 29.700 0.046 0.000 0.804 575 E HN 0.121 nan 8.360 nan 0.000 0.477 576 R N 0.366 120.927 120.500 0.102 0.000 2.094 576 R HA -0.190 4.169 4.340 0.032 0.000 0.239 576 R C 2.170 178.560 176.300 0.150 0.000 1.137 576 R CA 1.537 57.701 56.100 0.107 0.000 0.943 576 R CB -0.344 30.021 30.300 0.108 0.000 0.850 576 R HN 0.163 nan 8.270 nan 0.000 0.433 577 F N 1.843 121.813 119.950 0.033 0.000 2.051 577 F HA -0.220 4.327 4.527 0.033 0.000 0.296 577 F C 2.049 177.892 175.800 0.072 0.000 1.122 577 F CA 1.887 59.906 58.000 0.031 0.000 1.201 577 F CB -0.531 38.418 39.000 -0.085 0.000 0.978 577 F HN 0.070 nan 8.300 nan 0.000 0.472 578 N N 0.798 119.627 118.700 0.215 0.000 2.049 578 N HA -0.261 4.498 4.740 0.032 0.000 0.198 578 N C 1.935 177.464 175.510 0.032 0.000 1.030 578 N CA 1.749 54.865 53.050 0.111 0.000 0.870 578 N CB -0.663 37.892 38.487 0.114 0.000 1.045 578 N HN 0.504 nan 8.380 nan 0.000 0.434 579 E N 0.897 121.118 120.200 0.035 0.000 2.000 579 E HA -0.206 4.163 4.350 0.032 0.000 0.199 579 E C 1.427 178.013 176.600 -0.023 0.000 1.011 579 E CA 1.329 57.734 56.400 0.009 0.000 0.836 579 E CB -0.160 29.549 29.700 0.015 0.000 0.778 579 E HN 0.434 nan 8.360 nan 0.000 0.462 580 E N -0.900 119.285 120.200 -0.024 0.000 2.339 580 E HA -0.214 4.155 4.350 0.032 0.000 0.201 580 E C 1.342 177.793 176.600 -0.247 0.000 1.015 580 E CA 1.124 57.467 56.400 -0.095 0.000 0.841 580 E CB -0.148 29.521 29.700 -0.051 0.000 0.754 580 E HN 0.401 nan 8.360 nan 0.000 0.508 581 H N -1.835 117.050 119.070 -0.308 0.000 2.755 581 H HA 0.250 4.825 4.556 0.032 0.000 0.273 581 H C 1.023 176.255 175.328 -0.159 0.000 1.055 581 H CA 0.383 56.247 56.048 -0.307 0.000 1.191 581 H CB 1.246 30.671 29.762 -0.562 0.000 1.536 581 H HN 0.202 nan 8.280 nan 0.000 0.529 582 G N 1.096 109.878 108.800 -0.029 0.000 2.168 582 G HA2 -0.305 3.674 3.960 0.032 0.000 0.257 582 G HA3 -0.305 3.674 3.960 0.032 0.000 0.257 582 G C 0.167 175.072 174.900 0.008 0.000 0.997 582 G CA 0.312 45.402 45.100 -0.015 0.000 0.708 582 G HN 0.377 nan 8.290 nan 0.000 0.520 583 I N 0.978 121.563 120.570 0.024 0.000 2.474 583 I HA 0.278 4.467 4.170 0.032 0.000 0.287 583 I C 0.500 176.636 176.117 0.033 0.000 1.048 583 I CA 0.003 61.327 61.300 0.039 0.000 1.383 583 I CB 1.324 39.366 38.000 0.071 0.000 1.412 583 I HN -0.007 nan 8.210 nan 0.000 0.531 584 T N 7.253 121.823 114.554 0.026 0.000 2.770 584 T HA 0.271 4.640 4.350 0.032 0.000 0.297 584 T C -2.291 172.421 174.700 0.020 0.000 0.997 584 T CA -1.180 60.933 62.100 0.021 0.000 0.949 584 T CB 0.856 69.732 68.868 0.013 0.000 0.941 584 T HN 0.317 nan 8.240 nan 0.000 0.457 585 P HA 0.194 nan 4.420 nan 0.000 0.247 585 P C -0.222 177.083 177.300 0.009 0.000 1.141 585 P CA 0.350 63.460 63.100 0.016 0.000 0.858 585 P CB -0.333 31.376 31.700 0.016 0.000 0.804 586 K N 1.819 122.222 120.400 0.005 0.000 2.156 586 K HA 0.531 4.870 4.320 0.032 0.000 0.254 586 K C 0.183 176.781 176.600 -0.003 0.000 0.950 586 K CA -0.574 55.714 56.287 0.001 0.000 0.849 586 K CB 0.327 32.827 32.500 -0.000 0.000 1.100 586 K HN 0.290 nan 8.250 nan 0.000 0.434 587 T N 2.740 117.292 114.554 -0.003 0.000 2.799 587 T HA 0.277 4.646 4.350 0.032 0.000 0.296 587 T C 0.506 175.201 174.700 -0.008 0.000 0.947 587 T CA 0.093 62.190 62.100 -0.005 0.000 1.141 587 T CB -0.652 68.215 68.868 -0.001 0.000 0.891 587 T HN 0.444 nan 8.240 nan 0.000 0.533 588 I N 3.481 124.043 120.570 -0.013 0.000 2.471 588 I HA 0.459 4.648 4.170 0.032 0.000 0.286 588 I C 0.940 177.051 176.117 -0.011 0.000 1.079 588 I CA 0.046 61.336 61.300 -0.017 0.000 1.398 588 I CB -0.182 37.801 38.000 -0.028 0.000 1.403 588 I HN 0.875 nan 8.210 nan 0.000 0.530 622 K N 0.661 121.072 120.400 0.018 0.000 2.031 622 K HA 0.227 4.566 4.320 0.032 0.000 0.205 622 K C 2.449 179.059 176.600 0.016 0.000 1.049 622 K CA 2.032 58.330 56.287 0.018 0.000 0.939 622 K CB -1.269 31.240 32.500 0.015 0.000 0.717 622 K HN 0.995 nan 8.250 nan 0.000 0.438 623 E N 0.547 120.755 120.200 0.014 0.000 2.097 623 E HA -0.208 4.161 4.350 0.032 0.000 0.196 623 E C 2.454 179.062 176.600 0.014 0.000 1.000 623 E CA 2.646 59.053 56.400 0.012 0.000 0.804 623 E CB -1.212 28.494 29.700 0.010 0.000 0.740 623 E HN 0.779 nan 8.360 nan 0.000 0.454 624 R N -0.438 120.072 120.500 0.016 0.000 2.090 624 R HA 0.078 4.438 4.340 0.032 0.000 0.228 624 R C 2.797 179.110 176.300 0.023 0.000 1.110 624 R CA 2.343 58.453 56.100 0.018 0.000 0.973 624 R CB -1.675 28.635 30.300 0.017 0.000 0.869 624 R HN 0.815 nan 8.270 nan 0.000 0.440 625 Q N 0.009 119.825 119.800 0.026 0.000 2.061 625 Q HA -0.179 4.180 4.340 0.032 0.000 0.204 625 Q C 2.670 178.687 176.000 0.028 0.000 0.984 625 Q CA 3.232 59.054 55.803 0.031 0.000 0.846 625 Q CB -1.168 27.589 28.738 0.033 0.000 0.902 625 Q HN 0.838 nan 8.270 nan 0.000 0.421 626 K N -0.049 120.363 120.400 0.021 0.000 2.062 626 K HA 0.358 4.697 4.320 0.032 0.000 0.205 626 K C 2.592 179.203 176.600 0.017 0.000 1.051 626 K CA 1.839 58.135 56.287 0.016 0.000 0.941 626 K CB -1.575 30.931 32.500 0.010 0.000 0.719 626 K HN 1.141 nan 8.250 nan 0.000 0.440 627 V N 0.619 120.544 119.914 0.018 0.000 2.407 627 V HA -0.133 4.006 4.120 0.032 0.000 0.248 627 V C 2.582 178.691 176.094 0.026 0.000 1.055 627 V CA 2.482 64.793 62.300 0.019 0.000 1.049 627 V CB -0.552 31.282 31.823 0.017 0.000 0.662 627 V HN 0.264 nan 8.190 nan 0.000 0.455 628 V N 0.758 120.689 119.914 0.027 0.000 2.307 628 V HA -0.177 3.962 4.120 0.032 0.000 0.245 628 V C 3.059 179.178 176.094 0.042 0.000 1.045 628 V CA 2.473 64.793 62.300 0.032 0.000 1.024 628 V CB -0.814 31.027 31.823 0.030 0.000 0.651 628 V HN 0.842 nan 8.190 nan 0.000 0.449 629 E N -0.237 119.989 120.200 0.042 0.000 2.097 629 E HA -0.353 4.016 4.350 0.032 0.000 0.196 629 E C 2.148 178.783 176.600 0.059 0.000 1.000 629 E CA 2.533 58.962 56.400 0.049 0.000 0.804 629 E CB -1.057 28.664 29.700 0.035 0.000 0.740 629 E HN 0.775 nan 8.360 nan 0.000 0.454 630 Q N -0.714 119.113 119.800 0.045 0.000 2.172 630 Q HA 0.235 4.594 4.340 0.032 0.000 0.200 630 Q C 2.282 178.339 176.000 0.094 0.000 0.964 630 Q CA 1.552 57.389 55.803 0.057 0.000 0.855 630 Q CB -0.374 28.380 28.738 0.026 0.000 0.918 630 Q HN 0.707 nan 8.270 nan 0.000 0.444 631 M N -0.487 119.153 119.600 0.066 0.000 2.394 631 M HA -0.039 4.460 4.480 0.032 0.000 0.264 631 M C 1.929 178.264 176.300 0.060 0.000 1.073 631 M CA 1.248 56.582 55.300 0.057 0.000 1.111 631 M CB 0.223 32.845 32.600 0.036 0.000 1.401 631 M HN 0.545 nan 8.290 nan 0.000 0.448 632 E N -1.029 119.214 120.200 0.072 0.000 2.158 632 E HA -0.212 4.157 4.350 0.032 0.000 0.191 632 E C 1.725 178.375 176.600 0.084 0.000 0.982 632 E CA 0.903 57.343 56.400 0.067 0.000 0.823 632 E CB 0.039 29.779 29.700 0.067 0.000 0.766 632 E HN 0.505 nan 8.360 nan 0.000 0.468 633 H N 0.320 119.400 119.070 0.017 0.000 2.326 633 H HA -0.096 4.479 4.556 0.032 0.000 0.301 633 H C 2.119 177.454 175.328 0.011 0.000 1.081 633 H CA 2.665 58.722 56.048 0.015 0.000 1.334 633 H CB -0.045 29.724 29.762 0.012 0.000 1.385 633 H HN 0.182 nan 8.280 nan 0.000 0.504 634 E N 1.292 121.511 120.200 0.031 0.000 2.204 634 E HA -0.158 4.211 4.350 0.032 0.000 0.195 634 E C 2.229 178.791 176.600 -0.063 0.000 0.990 634 E CA 1.239 57.618 56.400 -0.034 0.000 0.821 634 E CB -0.704 29.022 29.700 0.044 0.000 0.750 634 E HN 0.729 nan 8.360 nan 0.000 0.477 635 M N 0.111 119.694 119.600 -0.028 0.000 2.098 635 M HA -0.082 4.418 4.480 0.032 0.000 0.262 635 M C 2.829 179.107 176.300 -0.037 0.000 1.072 635 M CA 2.758 58.048 55.300 -0.017 0.000 1.133 635 M CB -0.204 32.402 32.600 0.010 0.000 1.344 635 M HN 0.370 nan 8.290 nan 0.000 0.414 636 K N 0.431 120.799 120.400 -0.054 0.000 2.152 636 K HA -0.184 4.155 4.320 0.032 0.000 0.206 636 K C 1.611 178.148 176.600 -0.105 0.000 1.048 636 K CA 1.933 58.186 56.287 -0.055 0.000 0.933 636 K CB -1.252 31.222 32.500 -0.044 0.000 0.721 636 K HN 0.597 nan 8.250 nan 0.000 0.447 637 E N -0.300 119.780 120.200 -0.200 0.000 2.110 637 E HA -0.052 4.318 4.350 0.032 0.000 0.193 637 E C 2.344 178.863 176.600 -0.136 0.000 0.988 637 E CA 1.308 57.585 56.400 -0.205 0.000 0.804 637 E CB -0.213 29.315 29.700 -0.286 0.000 0.745 637 E HN 0.625 nan 8.360 nan 0.000 0.458 638 A N 0.970 123.721 122.820 -0.115 0.000 1.975 638 A HA 0.136 4.475 4.320 0.032 0.000 0.215 638 A C 2.356 179.830 177.584 -0.182 0.000 1.170 638 A CA 1.244 53.205 52.037 -0.127 0.000 0.656 638 A CB -0.265 18.683 19.000 -0.086 0.000 0.821 638 A HN 0.234 nan 8.150 nan 0.000 0.449 639 A N 0.257 123.031 122.820 -0.076 0.000 1.883 639 A HA -0.186 4.153 4.320 0.032 0.000 0.217 639 A C 2.040 179.580 177.584 -0.074 0.000 1.186 639 A CA 2.238 54.290 52.037 0.024 0.000 0.624 639 A CB -0.403 18.697 19.000 0.166 0.000 0.822 639 A HN 0.323 nan 8.150 nan 0.000 0.444 640 K N 0.018 120.380 120.400 -0.063 0.000 2.097 640 K HA 0.057 4.397 4.320 0.032 0.000 0.206 640 K C 1.946 178.475 176.600 -0.119 0.000 1.049 640 K CA 1.330 57.582 56.287 -0.058 0.000 0.933 640 K CB -0.746 31.727 32.500 -0.045 0.000 0.717 640 K HN 0.435 nan 8.250 nan 0.000 0.442 641 A N 0.269 122.987 122.820 -0.170 0.000 2.209 641 A HA 0.044 4.383 4.320 0.032 0.000 0.212 641 A C 0.532 177.939 177.584 -0.296 0.000 1.158 641 A CA 0.663 52.590 52.037 -0.183 0.000 0.742 641 A CB -0.579 18.327 19.000 -0.157 0.000 0.790 641 A HN 0.399 nan 8.150 nan 0.000 0.472 642 L N -1.224 119.684 121.223 -0.524 0.000 4.232 642 L HA -0.189 4.170 4.340 0.032 0.000 0.415 642 L C -0.074 176.135 176.870 -1.101 0.000 1.168 642 L CA 0.565 54.742 54.840 -1.105 0.000 0.966 642 L CB -1.923 39.853 42.059 -0.471 0.000 2.052 642 L HN 0.412 nan 8.230 nan 0.000 0.887 643 D N 0.352 120.336 120.400 -0.694 0.000 2.563 643 D HA 0.223 4.882 4.640 0.032 0.000 0.222 643 D C 0.951 177.078 176.300 -0.289 0.000 1.145 643 D CA -0.229 53.550 54.000 -0.369 0.000 1.001 643 D CB -0.074 40.607 40.800 -0.198 0.000 1.049 643 D HN 0.295 nan 8.370 nan 0.000 0.515 644 F N 0.687 120.630 119.950 -0.011 0.000 2.407 644 F HA -0.056 4.490 4.527 0.032 0.000 0.299 644 F C 2.081 177.875 175.800 -0.009 0.000 1.097 644 F CA 0.282 58.276 58.000 -0.011 0.000 1.422 644 F CB 0.311 39.306 39.000 -0.009 0.000 1.067 644 F HN 0.199 nan 8.300 nan 0.000 0.539 645 E N 0.212 120.489 120.200 0.129 0.000 2.072 645 E HA -0.189 4.180 4.350 0.032 0.000 0.191 645 E C 2.056 178.682 176.600 0.042 0.000 0.985 645 E CA 0.769 57.212 56.400 0.072 0.000 0.801 645 E CB -0.141 29.586 29.700 0.045 0.000 0.750 645 E HN 0.068 nan 8.360 nan 0.000 0.452 646 R N 0.857 121.367 120.500 0.016 0.000 2.092 646 R HA 0.029 4.388 4.340 0.032 0.000 0.231 646 R C 1.958 178.267 176.300 0.015 0.000 1.119 646 R CA 1.514 57.617 56.100 0.004 0.000 0.970 646 R CB -0.688 29.599 30.300 -0.021 0.000 0.864 646 R HN 0.163 nan 8.270 nan 0.000 0.440 647 A N 0.128 122.966 122.820 0.031 0.000 1.978 647 A HA -0.066 4.273 4.320 0.032 0.000 0.220 647 A C 2.301 179.917 177.584 0.053 0.000 1.170 647 A CA 1.820 53.888 52.037 0.051 0.000 0.636 647 A CB -0.877 18.191 19.000 0.114 0.000 0.810 647 A HN 0.497 nan 8.150 nan 0.000 0.448 648 A N -0.516 122.339 122.820 0.059 0.000 1.975 648 A HA 0.018 4.357 4.320 0.032 0.000 0.215 648 A C 1.841 179.441 177.584 0.026 0.000 1.170 648 A CA 1.190 53.253 52.037 0.042 0.000 0.656 648 A CB -0.316 18.711 19.000 0.046 0.000 0.821 648 A HN 0.600 nan 8.150 nan 0.000 0.449 649 E N 0.243 120.457 120.200 0.024 0.000 2.031 649 E HA -0.168 4.201 4.350 0.032 0.000 0.193 649 E C 1.840 178.449 176.600 0.014 0.000 0.994 649 E CA 1.346 57.755 56.400 0.016 0.000 0.800 649 E CB -0.365 29.343 29.700 0.013 0.000 0.752 649 E HN 0.599 nan 8.360 nan 0.000 0.447 650 L N 0.830 122.062 121.223 0.015 0.000 2.079 650 L HA -0.224 4.135 4.340 0.032 0.000 0.210 650 L C 2.756 179.635 176.870 0.014 0.000 1.081 650 L CA 1.320 56.169 54.840 0.015 0.000 0.752 650 L CB -0.497 41.571 42.059 0.015 0.000 0.896 650 L HN 0.108 nan 8.230 nan 0.000 0.433 651 R N 0.503 121.012 120.500 0.016 0.000 2.070 651 R HA -0.185 4.174 4.340 0.032 0.000 0.232 651 R C 1.783 178.086 176.300 0.005 0.000 1.138 651 R CA 2.127 58.233 56.100 0.010 0.000 0.936 651 R CB -0.344 29.963 30.300 0.012 0.000 0.839 651 R HN 0.259 nan 8.270 nan 0.000 0.429 652 D N 0.738 121.142 120.400 0.006 0.000 2.311 652 D HA -0.142 4.518 4.640 0.032 0.000 0.212 652 D C 1.774 178.077 176.300 0.004 0.000 0.972 652 D CA 0.614 54.616 54.000 0.003 0.000 0.887 652 D CB -0.000 40.802 40.800 0.005 0.000 0.915 652 D HN 0.186 nan 8.370 nan 0.000 0.497 653 L N -0.005 121.221 121.223 0.006 0.000 2.044 653 L HA -0.027 4.333 4.340 0.032 0.000 0.205 653 L C 1.035 177.908 176.870 0.005 0.000 1.075 653 L CA 0.915 55.759 54.840 0.007 0.000 0.747 653 L CB -0.815 41.250 42.059 0.010 0.000 0.903 653 L HN 0.025 nan 8.230 nan 0.000 0.435 654 L N 0.000 121.226 121.223 0.005 0.000 2.949 654 L HA 0.000 4.359 4.340 0.032 0.000 0.249 654 L CA 0.000 54.841 54.840 0.002 0.000 0.813 654 L CB 0.000 42.061 42.059 0.004 0.000 0.961 654 L HN 0.000 nan 8.230 nan 0.000 0.502