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 3iaf_1_C DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGXHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.013 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.005 19.000 0.009 0.000 0.831 3 M N 2.252 121.859 119.600 0.011 0.000 2.162 3 M HA 0.541 5.020 4.480 -0.002 0.000 0.356 3 M C -0.176 176.134 176.300 0.016 0.000 1.303 3 M CA -0.723 54.583 55.300 0.010 0.000 1.116 3 M CB -0.125 32.478 32.600 0.005 0.000 1.632 3 M HN 0.617 nan 8.290 nan 0.000 0.469 4 I N -0.167 120.415 120.570 0.020 0.000 2.785 4 I HA 0.741 4.910 4.170 -0.002 0.000 0.302 4 I C 0.359 176.494 176.117 0.029 0.000 1.069 4 I CA -0.929 60.388 61.300 0.029 0.000 1.045 4 I CB 2.178 40.202 38.000 0.041 0.000 1.236 4 I HN 0.667 nan 8.210 nan 0.000 0.429 5 T N 1.011 115.588 114.554 0.037 0.000 2.813 5 T HA 0.310 4.659 4.350 -0.002 0.000 0.297 5 T C 1.269 175.997 174.700 0.046 0.000 1.036 5 T CA -0.013 62.111 62.100 0.040 0.000 1.044 5 T CB 1.235 70.135 68.868 0.053 0.000 0.993 5 T HN 0.926 nan 8.240 nan 0.000 0.535 6 G N 0.382 109.210 108.800 0.046 0.000 2.442 6 G HA2 -0.011 3.948 3.960 -0.002 0.000 0.219 6 G HA3 -0.011 3.948 3.960 -0.002 0.000 0.219 6 G C 1.581 176.519 174.900 0.063 0.000 1.141 6 G CA 0.540 45.671 45.100 0.051 0.000 0.763 6 G HN 1.037 nan 8.290 nan 0.000 0.554 7 G N 0.238 109.084 108.800 0.077 0.000 2.432 7 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.219 7 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.219 7 G C 1.624 176.567 174.900 0.073 0.000 1.135 7 G CA 1.017 46.165 45.100 0.081 0.000 0.767 7 G HN 0.366 nan 8.290 nan 0.000 0.550 8 E N 0.315 120.560 120.200 0.076 0.000 2.051 8 E HA -0.052 4.297 4.350 -0.002 0.000 0.192 8 E C 2.740 179.378 176.600 0.065 0.000 0.991 8 E CA 0.568 57.022 56.400 0.089 0.000 0.799 8 E CB -0.294 29.461 29.700 0.092 0.000 0.748 8 E HN 0.450 nan 8.360 nan 0.000 0.449 9 L N 0.266 121.520 121.223 0.052 0.000 2.042 9 L HA -0.209 4.130 4.340 -0.002 0.000 0.210 9 L C 2.622 179.510 176.870 0.030 0.000 1.076 9 L CA 0.806 55.669 54.840 0.038 0.000 0.749 9 L CB -0.613 41.472 42.059 0.043 0.000 0.893 9 L HN 0.002 nan 8.230 nan 0.000 0.432 10 V N -0.535 119.402 119.914 0.038 0.000 2.252 10 V HA -0.297 3.822 4.120 -0.002 0.000 0.249 10 V C 2.409 178.507 176.094 0.007 0.000 1.056 10 V CA 1.939 64.257 62.300 0.031 0.000 1.022 10 V CB -0.401 31.444 31.823 0.036 0.000 0.641 10 V HN 0.215 nan 8.190 nan 0.000 0.445 11 V N -0.444 119.473 119.914 0.006 0.000 2.358 11 V HA -0.232 3.887 4.120 -0.002 0.000 0.246 11 V C 2.553 178.601 176.094 -0.076 0.000 1.047 11 V CA 1.998 64.285 62.300 -0.021 0.000 1.035 11 V CB -0.803 31.039 31.823 0.031 0.000 0.658 11 V HN 0.449 nan 8.190 nan 0.000 0.452 12 R N -0.169 120.283 120.500 -0.081 0.000 2.096 12 R HA -0.145 4.194 4.340 -0.002 0.000 0.235 12 R C 2.396 178.647 176.300 -0.081 0.000 1.127 12 R CA 1.961 57.982 56.100 -0.132 0.000 0.968 12 R CB -0.659 29.590 30.300 -0.084 0.000 0.861 12 R HN 0.527 nan 8.270 nan 0.000 0.440 13 T N 1.474 116.007 114.554 -0.036 0.000 2.777 13 T HA -0.068 4.281 4.350 -0.002 0.000 0.266 13 T C 1.876 176.564 174.700 -0.021 0.000 1.040 13 T CA 0.937 63.028 62.100 -0.015 0.000 1.141 13 T CB -0.103 68.773 68.868 0.013 0.000 0.868 13 T HN 0.131 nan 8.240 nan 0.000 0.444 14 L N 0.437 121.643 121.223 -0.028 0.000 2.093 14 L HA -0.062 4.277 4.340 -0.002 0.000 0.208 14 L C 2.446 179.285 176.870 -0.051 0.000 1.085 14 L CA 0.670 55.491 54.840 -0.032 0.000 0.755 14 L CB -0.565 41.470 42.059 -0.040 0.000 0.904 14 L HN 0.218 nan 8.230 nan 0.000 0.435 15 I N 0.325 120.845 120.570 -0.083 0.000 2.127 15 I HA -0.309 3.860 4.170 -0.002 0.000 0.241 15 I C 2.572 178.648 176.117 -0.069 0.000 1.075 15 I CA 1.592 62.832 61.300 -0.101 0.000 1.334 15 I CB -0.908 36.986 38.000 -0.178 0.000 1.040 15 I HN 0.219 nan 8.210 nan 0.000 0.405 16 K N 1.182 121.546 120.400 -0.060 0.000 2.063 16 K HA -0.088 4.231 4.320 -0.002 0.000 0.208 16 K C 2.052 178.638 176.600 -0.023 0.000 1.048 16 K CA 1.560 57.824 56.287 -0.038 0.000 0.928 16 K CB -0.271 32.211 32.500 -0.030 0.000 0.713 16 K HN 0.284 nan 8.250 nan 0.000 0.442 17 A N -0.628 122.182 122.820 -0.017 0.000 2.121 17 A HA 0.105 4.424 4.320 -0.002 0.000 0.218 17 A C 1.500 179.084 177.584 -0.001 0.000 1.154 17 A CA 1.310 53.345 52.037 -0.003 0.000 0.679 17 A CB -0.643 18.361 19.000 0.007 0.000 0.795 17 A HN 0.562 nan 8.150 nan 0.000 0.458 18 G N -1.544 107.250 108.800 -0.009 0.000 2.144 18 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.218 18 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.218 18 G C 0.403 175.309 174.900 0.009 0.000 0.988 18 G CA 0.457 45.556 45.100 -0.003 0.000 0.659 18 G HN 1.809 nan 8.290 nan 0.000 0.522 19 V N -1.591 118.323 119.914 0.000 0.000 2.637 19 V HA 0.738 4.857 4.120 -0.002 0.000 0.296 19 V C 0.752 176.814 176.094 -0.054 0.000 1.046 19 V CA 0.880 63.184 62.300 0.006 0.000 1.066 19 V CB 1.502 33.321 31.823 -0.007 0.000 0.968 19 V HN 0.337 nan 8.190 nan 0.000 0.483 20 E N 2.562 122.719 120.200 -0.071 0.000 2.601 20 E HA 0.282 4.631 4.350 -0.002 0.000 0.219 20 E C -0.798 175.434 176.600 -0.613 0.000 0.964 20 E CA -0.080 56.159 56.400 -0.268 0.000 1.050 20 E CB 0.595 30.160 29.700 -0.227 0.000 1.068 20 E HN 0.984 nan 8.360 nan 0.000 0.496 21 H N -0.565 118.373 119.070 -0.220 0.000 2.865 21 H HA 0.417 4.972 4.556 -0.002 0.000 0.362 21 H C -1.362 173.639 175.328 -0.545 0.000 1.114 21 H CA -0.633 55.134 56.048 -0.467 0.000 1.208 21 H CB 1.622 30.959 29.762 -0.708 0.000 1.727 21 H HN -0.136 nan 8.280 nan 0.000 0.534 22 L N 2.661 123.609 121.223 -0.458 0.000 2.354 22 L HA 0.512 4.851 4.340 -0.002 0.000 0.269 22 L C -1.192 175.327 176.870 -0.585 0.000 1.005 22 L CA -0.374 54.225 54.840 -0.402 0.000 0.819 22 L CB 1.191 43.082 42.059 -0.281 0.000 1.311 22 L HN 0.496 nan 8.230 nan 0.000 0.423 23 F N 0.783 120.645 119.950 -0.148 0.000 2.493 23 F HA 0.826 5.352 4.527 -0.002 0.000 0.329 23 F C 0.669 176.441 175.800 -0.047 0.000 1.126 23 F CA -0.418 57.528 58.000 -0.091 0.000 0.937 23 F CB 2.017 40.959 39.000 -0.096 0.000 1.146 23 F HN 0.496 nan 8.300 nan 0.000 0.442 24 G N 2.353 111.246 108.800 0.155 0.000 2.490 24 G HA2 0.580 4.539 3.960 -0.002 0.000 0.308 24 G HA3 0.580 4.539 3.960 -0.002 0.000 0.308 24 G C -2.705 172.324 174.900 0.215 0.000 1.286 24 G CA -0.636 44.561 45.100 0.160 0.000 0.825 24 G HN 0.444 nan 8.290 nan 0.000 0.479 25 L N 0.781 122.157 121.223 0.255 0.000 2.493 25 L HA 0.480 4.819 4.340 -0.002 0.000 0.265 25 L C -0.535 176.466 176.870 0.218 0.000 0.954 25 L CA -0.796 54.172 54.840 0.214 0.000 0.844 25 L CB 1.503 43.629 42.059 0.111 0.000 1.302 25 L HN 0.834 nan 8.230 nan 0.000 0.405 26 H N 2.514 121.565 119.070 -0.030 0.000 2.790 26 H HA 0.528 5.083 4.556 -0.002 0.000 0.358 26 H C -0.437 174.777 175.328 -0.189 0.000 1.103 26 H CA 1.102 56.923 56.048 -0.379 0.000 1.426 26 H CB 1.281 30.637 29.762 -0.678 0.000 1.424 26 H HN 0.827 nan 8.280 nan 0.000 0.599 30 I N -1.218 119.243 120.570 -0.181 0.000 4.009 30 I HA 0.272 4.441 4.170 -0.002 0.000 0.331 30 I C 1.069 177.246 176.117 0.101 0.000 1.462 30 I CA 0.094 61.397 61.300 0.004 0.000 1.117 30 I CB 0.558 38.589 38.000 0.052 0.000 1.091 30 I HN -0.139 nan 8.210 nan 0.000 0.410 31 D N 2.290 122.700 120.400 0.017 0.000 2.178 31 D HA -0.214 4.425 4.640 -0.002 0.000 0.201 31 D C 2.305 178.750 176.300 0.241 0.000 0.980 31 D CA 2.389 56.477 54.000 0.146 0.000 0.842 31 D CB 0.249 41.147 40.800 0.163 0.000 0.948 31 D HN 0.525 nan 8.370 nan 0.000 0.472 32 T N -1.323 113.349 114.554 0.196 0.000 2.759 32 T HA -0.194 4.155 4.350 -0.002 0.000 0.269 32 T C 2.156 176.944 174.700 0.146 0.000 1.042 32 T CA 1.185 63.383 62.100 0.164 0.000 1.140 32 T CB -0.634 68.324 68.868 0.150 0.000 0.864 32 T HN 0.238 nan 8.240 nan 0.000 0.455 33 I N -0.430 120.225 120.570 0.143 0.000 2.353 33 I HA 0.020 4.189 4.170 -0.002 0.000 0.248 33 I C 2.234 178.374 176.117 0.039 0.000 1.119 33 I CA 1.100 62.441 61.300 0.068 0.000 1.417 33 I CB -0.406 37.601 38.000 0.011 0.000 1.078 33 I HN 0.107 nan 8.210 nan 0.000 0.421 34 F N 0.981 120.958 119.950 0.045 0.000 2.134 34 F HA -0.230 4.296 4.527 -0.002 0.000 0.299 34 F C 2.723 178.560 175.800 0.061 0.000 1.097 34 F CA 1.331 59.372 58.000 0.069 0.000 1.264 34 F CB -0.330 38.756 39.000 0.144 0.000 1.001 34 F HN 0.067 nan 8.300 nan 0.000 0.479 35 Q N -0.029 119.917 119.800 0.243 0.000 2.079 35 Q HA -0.109 4.230 4.340 -0.002 0.000 0.200 35 Q C 2.549 178.594 176.000 0.074 0.000 0.974 35 Q CA 1.470 57.357 55.803 0.140 0.000 0.840 35 Q CB -1.102 27.708 28.738 0.119 0.000 0.898 35 Q HN 0.424 nan 8.270 nan 0.000 0.430 36 A N 0.235 123.103 122.820 0.081 0.000 1.898 36 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 36 A C 2.547 180.190 177.584 0.098 0.000 1.181 36 A CA 1.410 53.497 52.037 0.083 0.000 0.620 36 A CB -0.980 18.094 19.000 0.124 0.000 0.819 36 A HN 0.459 nan 8.150 nan 0.000 0.442 37 C N -0.873 118.459 119.300 0.052 0.000 2.422 37 C HA -0.059 4.400 4.460 -0.002 0.000 0.279 37 C C 2.528 177.523 174.990 0.008 0.000 1.305 37 C CA 0.933 59.958 59.018 0.011 0.000 1.757 37 C CB -1.492 26.187 27.740 -0.102 0.000 1.962 37 C HN 0.665 nan 8.230 nan 0.000 0.499 38 L N 0.739 121.973 121.223 0.019 0.000 2.017 38 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 38 L C 2.305 179.153 176.870 -0.036 0.000 1.073 38 L CA 1.886 56.734 54.840 0.014 0.000 0.745 38 L CB -0.608 41.477 42.059 0.044 0.000 0.894 38 L HN 0.329 nan 8.230 nan 0.000 0.432 39 D N -0.979 119.362 120.400 -0.099 0.000 2.117 39 D HA -0.186 4.452 4.640 -0.002 0.000 0.197 39 D C 1.671 177.803 176.300 -0.280 0.000 0.987 39 D CA 1.306 55.166 54.000 -0.233 0.000 0.829 39 D CB -0.235 40.333 40.800 -0.387 0.000 0.961 39 D HN 0.464 nan 8.370 nan 0.000 0.460 40 H N 0.714 119.775 119.070 -0.016 0.000 2.519 40 H HA 0.072 4.627 4.556 -0.002 0.000 0.289 40 H C -0.149 175.156 175.328 -0.040 0.000 1.040 40 H CA 0.068 56.101 56.048 -0.026 0.000 1.165 40 H CB 0.151 29.895 29.762 -0.031 0.000 1.462 40 H HN 0.094 nan 8.280 nan 0.000 0.555 41 D N 0.741 121.159 120.400 0.030 0.000 2.751 41 D HA -0.145 4.494 4.640 -0.002 0.000 0.233 41 D C -0.240 176.042 176.300 -0.030 0.000 1.149 41 D CA 0.367 54.366 54.000 -0.001 0.000 0.682 41 D CB -1.349 39.450 40.800 -0.002 0.000 1.068 41 D HN 0.157 nan 8.370 nan 0.000 0.429 42 V N 1.466 121.359 119.914 -0.034 0.000 2.353 42 V HA 0.234 4.353 4.120 -0.002 0.000 0.264 42 V C -1.538 174.480 176.094 -0.127 0.000 1.049 42 V CA -1.203 61.035 62.300 -0.103 0.000 0.896 42 V CB 1.057 32.822 31.823 -0.097 0.000 1.025 42 V HN -0.035 nan 8.190 nan 0.000 0.475 43 P HA 0.266 nan 4.420 nan 0.000 0.271 43 P C -0.500 176.693 177.300 -0.179 0.000 1.226 43 P CA 0.128 63.161 63.100 -0.111 0.000 0.765 43 P CB 0.822 32.494 31.700 -0.046 0.000 0.835 44 I N 4.709 125.178 120.570 -0.168 0.000 2.312 44 I HA 0.216 4.385 4.170 -0.002 0.000 0.290 44 I C 0.717 176.754 176.117 -0.134 0.000 1.008 44 I CA -0.924 60.238 61.300 -0.229 0.000 1.226 44 I CB 0.997 38.798 38.000 -0.332 0.000 1.371 44 I HN 0.106 nan 8.210 nan 0.000 0.468 45 I N 6.367 126.796 120.570 -0.235 0.000 2.311 45 I HA 0.040 4.209 4.170 -0.002 0.000 0.297 45 I C 0.324 176.469 176.117 0.046 0.000 1.131 45 I CA -0.212 61.028 61.300 -0.100 0.000 1.289 45 I CB -0.779 37.120 38.000 -0.168 0.000 1.446 45 I HN 0.576 nan 8.210 nan 0.000 0.524 46 D N 4.940 125.397 120.400 0.096 0.000 2.308 46 D HA 0.237 4.876 4.640 -0.002 0.000 0.251 46 D C 0.387 176.751 176.300 0.106 0.000 1.127 46 D CA -0.265 53.824 54.000 0.149 0.000 0.876 46 D CB 1.749 42.670 40.800 0.201 0.000 1.176 46 D HN 0.479 nan 8.370 nan 0.000 0.446 47 T N -0.159 114.457 114.554 0.103 0.000 2.819 47 T HA 0.447 4.796 4.350 -0.002 0.000 0.271 47 T C 0.949 175.665 174.700 0.027 0.000 0.986 47 T CA -0.909 61.224 62.100 0.055 0.000 0.989 47 T CB 1.379 70.285 68.868 0.064 0.000 1.396 47 T HN 0.226 nan 8.240 nan 0.000 0.597 48 R N -0.252 120.245 120.500 -0.005 0.000 2.397 48 R HA 0.317 4.656 4.340 -0.002 0.000 0.241 48 R C -0.096 176.222 176.300 0.030 0.000 0.914 48 R CA -0.001 56.090 56.100 -0.015 0.000 1.071 48 R CB -0.461 29.792 30.300 -0.077 0.000 1.116 48 R HN 0.725 nan 8.270 nan 0.000 0.524 49 H N -0.272 118.775 119.070 -0.038 0.000 3.029 49 H HA 0.198 4.753 4.556 -0.002 0.000 0.358 49 H C -0.094 175.223 175.328 -0.018 0.000 1.129 49 H CA -0.360 55.673 56.048 -0.026 0.000 1.230 49 H CB 1.710 31.455 29.762 -0.028 0.000 1.827 49 H HN -0.224 nan 8.280 nan 0.000 0.530 50 E N 2.701 123.087 120.200 0.310 0.000 2.268 50 E HA -0.036 4.313 4.350 -0.002 0.000 0.195 50 E C 1.815 178.468 176.600 0.089 0.000 0.995 50 E CA 1.278 57.781 56.400 0.171 0.000 0.836 50 E CB 0.243 30.005 29.700 0.103 0.000 0.763 50 E HN 0.606 nan 8.360 nan 0.000 0.491 51 A N 0.922 123.782 122.820 0.066 0.000 1.930 51 A HA -0.046 4.273 4.320 -0.002 0.000 0.217 51 A C 2.343 179.751 177.584 -0.292 0.000 1.175 51 A CA 1.575 53.439 52.037 -0.289 0.000 0.627 51 A CB -0.665 18.036 19.000 -0.498 0.000 0.815 51 A HN 0.301 nan 8.150 nan 0.000 0.443 52 A N -0.163 122.595 122.820 -0.103 0.000 1.930 52 A HA 0.216 4.535 4.320 -0.002 0.000 0.217 52 A C 2.466 180.048 177.584 -0.002 0.000 1.175 52 A CA 1.872 53.902 52.037 -0.011 0.000 0.627 52 A CB -0.891 18.095 19.000 -0.024 0.000 0.815 52 A HN 0.966 nan 8.150 nan 0.000 0.443 53 A N -0.316 122.519 122.820 0.024 0.000 1.877 53 A HA 0.139 4.458 4.320 -0.002 0.000 0.216 53 A C 2.419 180.009 177.584 0.009 0.000 1.186 53 A CA 1.924 54.002 52.037 0.069 0.000 0.620 53 A CB -1.426 17.647 19.000 0.122 0.000 0.822 53 A HN 0.686 nan 8.150 nan 0.000 0.443 54 G N -1.007 107.789 108.800 -0.007 0.000 2.459 54 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.217 54 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.217 54 G C 1.462 176.348 174.900 -0.023 0.000 1.183 54 G CA 1.174 46.303 45.100 0.048 0.000 0.776 54 G HN 0.629 nan 8.290 nan 0.000 0.552 55 H N 0.931 119.999 119.070 -0.002 0.000 2.422 55 H HA -0.001 4.554 4.556 -0.002 0.000 0.298 55 H C 2.857 178.083 175.328 -0.169 0.000 1.098 55 H CA 1.115 57.127 56.048 -0.060 0.000 1.315 55 H CB -0.623 29.103 29.762 -0.059 0.000 1.382 55 H HN 0.397 nan 8.280 nan 0.000 0.523 56 A N 1.024 123.750 122.820 -0.158 0.000 1.898 56 A HA -0.026 4.293 4.320 -0.002 0.000 0.216 56 A C 2.721 179.766 177.584 -0.898 0.000 1.181 56 A CA 1.570 53.290 52.037 -0.529 0.000 0.620 56 A CB -0.779 17.862 19.000 -0.597 0.000 0.819 56 A HN 0.425 nan 8.150 nan 0.000 0.442 57 A N -0.114 122.322 122.820 -0.640 0.000 1.908 57 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 57 A C 1.934 179.416 177.584 -0.170 0.000 1.181 57 A CA 1.719 53.536 52.037 -0.368 0.000 0.627 57 A CB -0.548 18.318 19.000 -0.223 0.000 0.818 57 A HN 0.641 nan 8.150 nan 0.000 0.445 58 E N -0.839 119.285 120.200 -0.126 0.000 2.031 58 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 58 E C 2.226 178.790 176.600 -0.060 0.000 0.994 58 E CA 0.921 57.297 56.400 -0.039 0.000 0.800 58 E CB -0.435 29.288 29.700 0.038 0.000 0.752 58 E HN 0.607 nan 8.360 nan 0.000 0.447 59 G N 0.451 109.185 108.800 -0.111 0.000 2.440 59 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.218 59 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.218 59 G C 1.422 176.275 174.900 -0.077 0.000 1.154 59 G CA 0.964 45.995 45.100 -0.115 0.000 0.767 59 G HN 0.304 nan 8.290 nan 0.000 0.552 60 Y N 1.913 122.075 120.300 -0.229 0.000 2.165 60 Y HA -0.053 4.496 4.550 -0.002 0.000 0.286 60 Y C 2.915 178.789 175.900 -0.043 0.000 1.155 60 Y CA 1.719 59.755 58.100 -0.107 0.000 1.164 60 Y CB -0.209 38.219 38.460 -0.053 0.000 0.978 60 Y HN 0.251 nan 8.280 nan 0.000 0.513 61 A N 0.302 123.156 122.820 0.057 0.000 1.930 61 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 61 A C 2.235 179.778 177.584 -0.069 0.000 1.175 61 A CA 1.651 53.688 52.037 0.000 0.000 0.627 61 A CB -0.480 18.548 19.000 0.046 0.000 0.815 61 A HN 0.537 nan 8.150 nan 0.000 0.443 62 R N -0.745 119.713 120.500 -0.070 0.000 2.075 62 R HA 0.104 4.442 4.340 -0.002 0.000 0.226 62 R C 2.286 178.531 176.300 -0.091 0.000 1.114 62 R CA 1.062 57.117 56.100 -0.076 0.000 0.972 62 R CB -0.298 29.953 30.300 -0.082 0.000 0.869 62 R HN 0.455 nan 8.270 nan 0.000 0.437 63 A N 0.107 122.860 122.820 -0.112 0.000 2.123 63 A HA 0.083 4.402 4.320 -0.002 0.000 0.214 63 A C 1.904 179.404 177.584 -0.141 0.000 1.152 63 A CA 1.188 53.159 52.037 -0.110 0.000 0.728 63 A CB -0.090 18.849 19.000 -0.101 0.000 0.814 63 A HN 0.429 nan 8.150 nan 0.000 0.464 64 G N -2.274 106.400 108.800 -0.210 0.000 2.939 64 G HA2 0.387 4.346 3.960 -0.002 0.000 0.216 64 G HA3 0.387 4.346 3.960 -0.002 0.000 0.216 64 G C 0.801 175.604 174.900 -0.162 0.000 1.125 64 G CA 0.514 45.464 45.100 -0.249 0.000 0.766 64 G HN 1.429 nan 8.290 nan 0.000 0.541 65 A N 0.223 122.971 122.820 -0.120 0.000 2.640 65 A HA -0.114 4.205 4.320 -0.002 0.000 0.300 65 A C 0.753 178.298 177.584 -0.064 0.000 1.499 65 A CA 1.783 53.775 52.037 -0.074 0.000 0.759 65 A CB -2.083 16.883 19.000 -0.056 0.000 1.048 65 A HN 0.862 nan 8.150 nan 0.000 0.450 66 K N -1.813 118.545 120.400 -0.070 0.000 2.250 66 K HA 0.850 5.169 4.320 -0.002 0.000 0.261 66 K C -0.445 176.179 176.600 0.040 0.000 1.047 66 K CA -1.143 55.131 56.287 -0.022 0.000 0.884 66 K CB 0.715 33.194 32.500 -0.035 0.000 1.476 66 K HN 0.662 nan 8.250 nan 0.000 0.445 67 L N 1.173 122.452 121.223 0.094 0.000 2.380 67 L HA 0.394 4.733 4.340 -0.002 0.000 0.273 67 L C -0.072 176.937 176.870 0.230 0.000 1.138 67 L CA 0.712 55.624 54.840 0.121 0.000 0.832 67 L CB 0.985 43.100 42.059 0.094 0.000 1.124 67 L HN 0.775 nan 8.230 nan 0.000 0.454 68 G N 4.336 113.233 108.800 0.162 0.000 2.371 68 G HA2 0.588 4.547 3.960 -0.002 0.000 0.326 68 G HA3 0.588 4.547 3.960 -0.002 0.000 0.326 68 G C -1.519 173.383 174.900 0.004 0.000 1.127 68 G CA -0.473 44.725 45.100 0.164 0.000 0.885 68 G HN 0.546 nan 8.290 nan 0.000 0.477 69 V N 1.267 121.185 119.914 0.007 0.000 2.443 69 V HA 0.666 4.785 4.120 -0.002 0.000 0.293 69 V C 0.327 176.397 176.094 -0.039 0.000 1.021 69 V CA -0.902 61.363 62.300 -0.057 0.000 0.848 69 V CB 1.047 32.843 31.823 -0.045 0.000 0.998 69 V HN 1.088 nan 8.190 nan 0.000 0.424 70 A N 5.492 128.221 122.820 -0.152 0.000 2.312 70 A HA 0.865 5.184 4.320 -0.002 0.000 0.326 70 A C -0.738 176.858 177.584 0.021 0.000 1.172 70 A CA -0.521 51.483 52.037 -0.055 0.000 0.821 70 A CB 1.093 20.007 19.000 -0.144 0.000 1.166 70 A HN 0.828 nan 8.150 nan 0.000 0.493 71 L N 4.312 125.568 121.223 0.055 0.000 2.388 71 L HA 0.569 4.908 4.340 -0.002 0.000 0.267 71 L C -0.840 176.095 176.870 0.107 0.000 0.995 71 L CA -0.643 54.227 54.840 0.049 0.000 0.864 71 L CB 1.248 43.275 42.059 -0.053 0.000 1.216 71 L HN 0.705 nan 8.230 nan 0.000 0.430 72 V N 0.608 120.595 119.914 0.122 0.000 2.960 72 V HA 0.646 4.765 4.120 -0.002 0.000 0.315 72 V C -0.088 176.048 176.094 0.069 0.000 1.087 72 V CA -0.499 61.868 62.300 0.112 0.000 0.982 72 V CB 1.846 33.745 31.823 0.127 0.000 1.039 72 V HN 0.621 nan 8.190 nan 0.000 0.437 73 T N 1.489 116.053 114.554 0.017 0.000 2.862 73 T HA 0.705 5.054 4.350 -0.002 0.000 0.276 73 T C 0.531 175.161 174.700 -0.116 0.000 0.974 73 T CA 0.288 62.344 62.100 -0.074 0.000 0.966 73 T CB 1.129 69.917 68.868 -0.133 0.000 1.072 73 T HN 1.709 nan 8.240 nan 0.000 0.538 74 A N 0.644 123.282 122.820 -0.304 0.000 2.507 74 A HA 0.518 4.837 4.320 -0.002 0.000 0.235 74 A C 1.495 178.938 177.584 -0.235 0.000 1.070 74 A CA 0.568 52.393 52.037 -0.353 0.000 0.768 74 A CB -1.265 17.285 19.000 -0.751 0.000 1.011 74 A HN 1.838 nan 8.150 nan 0.000 0.502 75 G N 1.364 110.092 108.800 -0.121 0.000 2.601 75 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.306 75 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.306 75 G C 1.563 176.478 174.900 0.025 0.000 1.172 75 G CA 1.223 46.294 45.100 -0.047 0.000 0.966 75 G HN 1.997 nan 8.290 nan 0.000 0.542 76 G N 0.742 109.528 108.800 -0.024 0.000 2.432 76 G HA2 0.228 4.187 3.960 -0.002 0.000 0.219 76 G HA3 0.228 4.187 3.960 -0.002 0.000 0.219 76 G C 1.947 176.834 174.900 -0.022 0.000 1.135 76 G CA 2.145 47.231 45.100 -0.023 0.000 0.767 76 G HN 1.789 nan 8.290 nan 0.000 0.550 77 G N 0.743 109.530 108.800 -0.023 0.000 2.491 77 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.218 77 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.218 77 G C 1.613 176.535 174.900 0.038 0.000 1.180 77 G CA 1.142 46.243 45.100 0.001 0.000 0.774 77 G HN 0.415 nan 8.290 nan 0.000 0.562 78 F N 2.603 122.513 119.950 -0.066 0.000 2.084 78 F HA -0.109 4.417 4.527 -0.002 0.000 0.296 78 F C 3.061 178.818 175.800 -0.071 0.000 1.111 78 F CA 2.541 60.501 58.000 -0.067 0.000 1.224 78 F CB -0.838 38.110 39.000 -0.086 0.000 0.991 78 F HN 0.220 nan 8.300 nan 0.000 0.471 79 T N -1.260 113.139 114.554 -0.259 0.000 2.803 79 T HA -0.207 4.142 4.350 -0.002 0.000 0.269 79 T C 1.721 176.245 174.700 -0.293 0.000 1.052 79 T CA 1.576 63.464 62.100 -0.355 0.000 1.136 79 T CB -0.798 68.027 68.868 -0.072 0.000 0.864 79 T HN 0.280 nan 8.240 nan 0.000 0.467 80 N N 2.070 120.678 118.700 -0.153 0.000 2.453 80 N HA 0.140 4.879 4.740 -0.002 0.000 0.183 80 N C 1.764 177.205 175.510 -0.115 0.000 1.041 80 N CA 1.098 54.129 53.050 -0.031 0.000 0.900 80 N CB -0.434 38.109 38.487 0.092 0.000 0.961 80 N HN 0.698 nan 8.380 nan 0.000 0.443 81 A N -0.226 122.445 122.820 -0.249 0.000 2.275 81 A HA 0.158 4.477 4.320 -0.002 0.000 0.212 81 A C 2.142 179.462 177.584 -0.441 0.000 1.201 81 A CA -0.038 51.837 52.037 -0.269 0.000 0.843 81 A CB -0.015 18.890 19.000 -0.158 0.000 0.873 81 A HN 0.028 nan 8.150 nan 0.000 0.492 82 V N -0.091 119.525 119.914 -0.497 0.000 2.343 82 V HA -0.227 3.892 4.120 -0.002 0.000 0.247 82 V C 2.768 178.687 176.094 -0.292 0.000 1.051 82 V CA 2.680 64.694 62.300 -0.476 0.000 1.036 82 V CB -0.885 30.674 31.823 -0.439 0.000 0.654 82 V HN 0.610 nan 8.190 nan 0.000 0.451 83 T N 0.148 114.581 114.554 -0.202 0.000 2.708 83 T HA -0.105 4.244 4.350 -0.002 0.000 0.266 83 T C -0.061 174.630 174.700 -0.014 0.000 1.037 83 T CA 1.894 63.945 62.100 -0.081 0.000 1.146 83 T CB -1.262 67.593 68.868 -0.021 0.000 0.865 83 T HN 0.437 nan 8.240 nan 0.000 0.435 84 P HA -0.021 nan 4.420 nan 0.000 0.216 84 P C 1.464 178.804 177.300 0.067 0.000 1.150 84 P CA 0.943 64.037 63.100 -0.011 0.000 0.843 84 P CB -0.200 31.402 31.700 -0.163 0.000 0.787 85 I N -0.581 119.803 120.570 -0.309 0.000 2.127 85 I HA -0.277 3.892 4.170 -0.002 0.000 0.241 85 I C 2.327 178.420 176.117 -0.041 0.000 1.075 85 I CA 1.757 62.779 61.300 -0.464 0.000 1.334 85 I CB -0.848 36.705 38.000 -0.746 0.000 1.040 85 I HN -0.081 nan 8.210 nan 0.000 0.405 86 A N 0.375 123.176 122.820 -0.033 0.000 1.969 86 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 86 A C 2.008 179.716 177.584 0.206 0.000 1.169 86 A CA 2.178 54.275 52.037 0.100 0.000 0.635 86 A CB -0.792 18.230 19.000 0.035 0.000 0.810 86 A HN 0.475 nan 8.150 nan 0.000 0.445 87 N N 0.177 118.973 118.700 0.159 0.000 2.171 87 N HA -0.027 4.712 4.740 -0.002 0.000 0.184 87 N C 1.731 177.345 175.510 0.174 0.000 1.021 87 N CA 1.626 54.770 53.050 0.157 0.000 0.854 87 N CB -0.336 38.249 38.487 0.163 0.000 0.994 87 N HN 0.326 nan 8.380 nan 0.000 0.426 88 A N 0.245 123.205 122.820 0.233 0.000 1.972 88 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 88 A C 2.084 179.822 177.584 0.257 0.000 1.169 88 A CA 1.078 53.260 52.037 0.243 0.000 0.635 88 A CB -1.226 17.986 19.000 0.354 0.000 0.810 88 A HN 0.709 nan 8.150 nan 0.000 0.446 89 W N 0.495 121.858 121.300 0.104 0.000 2.355 89 W HA -0.146 4.513 4.660 -0.002 0.000 0.309 89 W C 1.405 177.982 176.519 0.098 0.000 1.206 89 W CA 1.589 58.990 57.345 0.093 0.000 1.284 89 W CB -0.262 29.239 29.460 0.067 0.000 1.145 89 W HN 0.288 nan 8.180 nan 0.000 0.502 90 L N 0.232 121.474 121.223 0.032 0.000 2.313 90 L HA -0.096 4.243 4.340 -0.002 0.000 0.214 90 L C 1.652 178.516 176.870 -0.009 0.000 1.119 90 L CA 0.963 55.785 54.840 -0.030 0.000 0.809 90 L CB -0.708 41.449 42.059 0.162 0.000 0.933 90 L HN -0.166 nan 8.230 nan 0.000 0.449 91 D N 0.480 120.872 120.400 -0.015 0.000 2.339 91 D HA 0.032 4.671 4.640 -0.002 0.000 0.217 91 D C 0.276 176.544 176.300 -0.053 0.000 1.050 91 D CA 0.012 53.978 54.000 -0.057 0.000 0.856 91 D CB 0.325 41.100 40.800 -0.041 0.000 0.922 91 D HN 0.116 nan 8.370 nan 0.000 0.518 92 R N 0.768 121.232 120.500 -0.059 0.000 3.333 92 R HA -0.146 4.193 4.340 -0.002 0.000 0.256 92 R C -0.016 176.284 176.300 0.000 0.000 1.010 92 R CA 0.793 56.864 56.100 -0.050 0.000 0.680 92 R CB -2.346 27.912 30.300 -0.070 0.000 1.102 92 R HN 0.210 nan 8.270 nan 0.000 0.440 93 T N -1.780 112.798 114.554 0.042 0.000 2.859 93 T HA 0.614 4.963 4.350 -0.002 0.000 0.281 93 T C -2.610 172.140 174.700 0.084 0.000 1.005 93 T CA -2.244 59.884 62.100 0.047 0.000 1.025 93 T CB 2.329 71.220 68.868 0.038 0.000 0.977 93 T HN -0.098 nan 8.240 nan 0.000 0.458 94 P HA 0.440 nan 4.420 nan 0.000 0.283 94 P C -1.025 176.307 177.300 0.053 0.000 1.412 94 P CA -0.494 62.651 63.100 0.076 0.000 0.912 94 P CB 0.738 32.472 31.700 0.057 0.000 1.132 95 V N 5.304 125.247 119.914 0.050 0.000 2.588 95 V HA 0.284 4.403 4.120 -0.002 0.000 0.304 95 V C 0.253 176.287 176.094 -0.101 0.000 1.042 95 V CA -0.913 61.316 62.300 -0.117 0.000 0.877 95 V CB 2.653 34.258 31.823 -0.364 0.000 0.996 95 V HN 0.441 nan 8.190 nan 0.000 0.425 96 L N 5.075 126.227 121.223 -0.118 0.000 2.278 96 L HA 0.496 4.835 4.340 -0.002 0.000 0.287 96 L C -1.135 175.642 176.870 -0.155 0.000 1.072 96 L CA -0.195 54.629 54.840 -0.026 0.000 0.819 96 L CB 0.478 42.550 42.059 0.023 0.000 1.176 96 L HN 0.562 nan 8.230 nan 0.000 0.435 97 F N 5.882 125.880 119.950 0.081 0.000 2.334 97 F HA 0.306 4.832 4.527 -0.002 0.000 0.365 97 F C 0.224 176.060 175.800 0.061 0.000 1.124 97 F CA -0.392 57.651 58.000 0.071 0.000 1.166 97 F CB 0.634 39.682 39.000 0.080 0.000 1.355 97 F HN 0.268 nan 8.300 nan 0.000 0.532 98 L N 3.173 124.491 121.223 0.159 0.000 2.313 98 L HA 0.371 4.710 4.340 -0.002 0.000 0.282 98 L C 0.474 177.424 176.870 0.132 0.000 1.092 98 L CA -0.024 54.883 54.840 0.112 0.000 0.831 98 L CB 0.981 43.073 42.059 0.055 0.000 1.159 98 L HN 0.497 nan 8.230 nan 0.000 0.442 99 T N 2.307 116.924 114.554 0.105 0.000 2.893 99 T HA 0.617 4.966 4.350 -0.002 0.000 0.293 99 T C 0.097 174.812 174.700 0.025 0.000 1.027 99 T CA -0.400 61.755 62.100 0.091 0.000 0.988 99 T CB 1.506 70.462 68.868 0.147 0.000 1.043 99 T HN 0.677 nan 8.240 nan 0.000 0.461 100 G N 2.021 110.825 108.800 0.006 0.000 2.599 100 G HA2 0.576 4.535 3.960 -0.002 0.000 0.264 100 G HA3 0.576 4.535 3.960 -0.002 0.000 0.264 100 G C -0.254 174.602 174.900 -0.073 0.000 1.200 100 G CA 0.041 45.130 45.100 -0.019 0.000 0.896 100 G HN 1.279 nan 8.290 nan 0.000 0.536 101 S N -1.444 114.235 115.700 -0.035 0.000 2.643 101 S HA 0.703 5.172 4.470 -0.002 0.000 0.270 101 S C 0.122 174.767 174.600 0.074 0.000 1.166 101 S CA -0.191 57.970 58.200 -0.065 0.000 0.815 101 S CB 0.956 64.099 63.200 -0.096 0.000 1.139 101 S HN 1.483 nan 8.310 nan 0.000 0.472 102 G N 0.377 109.212 108.800 0.058 0.000 2.484 102 G HA2 0.481 4.440 3.960 -0.002 0.000 0.235 102 G HA3 0.481 4.440 3.960 -0.002 0.000 0.235 102 G C 0.482 175.494 174.900 0.185 0.000 1.282 102 G CA -0.106 45.100 45.100 0.177 0.000 0.857 102 G HN 1.377 nan 8.290 nan 0.000 0.571 103 A N 1.575 124.538 122.820 0.238 0.000 2.483 103 A HA 0.325 4.644 4.320 -0.002 0.000 0.238 103 A C 1.590 179.209 177.584 0.058 0.000 1.070 103 A CA -0.368 51.751 52.037 0.136 0.000 0.770 103 A CB 0.277 19.316 19.000 0.066 0.000 1.008 103 A HN 0.719 nan 8.150 nan 0.000 0.497 104 L N 1.368 122.607 121.223 0.026 0.000 2.027 104 L HA -0.096 4.243 4.340 -0.002 0.000 0.206 104 L C 1.742 178.609 176.870 -0.005 0.000 1.074 104 L CA 1.313 56.154 54.840 0.003 0.000 0.745 104 L CB -0.563 41.491 42.059 -0.008 0.000 0.898 104 L HN 0.914 nan 8.230 nan 0.000 0.433 105 R N 1.316 121.807 120.500 -0.016 0.000 2.679 105 R HA -0.016 4.323 4.340 -0.002 0.000 0.268 105 R C 0.140 176.432 176.300 -0.013 0.000 1.044 105 R CA 0.369 56.455 56.100 -0.024 0.000 1.105 105 R CB -0.373 29.900 30.300 -0.044 0.000 0.989 105 R HN 0.398 nan 8.270 nan 0.000 0.447 106 D N -1.590 118.803 120.400 -0.011 0.000 2.751 106 D HA -0.286 4.353 4.640 -0.002 0.000 0.233 106 D C -0.923 175.386 176.300 0.016 0.000 1.149 106 D CA 1.439 55.440 54.000 0.003 0.000 0.682 106 D CB -1.399 39.404 40.800 0.005 0.000 1.068 106 D HN 0.846 nan 8.370 nan 0.000 0.429 107 D N -0.040 120.365 120.400 0.008 0.000 2.414 107 D HA 0.330 4.969 4.640 -0.002 0.000 0.242 107 D C 0.545 176.847 176.300 0.003 0.000 1.129 107 D CA 0.386 54.389 54.000 0.005 0.000 0.885 107 D CB 0.664 41.461 40.800 -0.005 0.000 1.198 107 D HN 0.324 nan 8.370 nan 0.000 0.437 108 E N 1.327 121.528 120.200 0.002 0.000 2.416 108 E HA -0.199 4.150 4.350 -0.002 0.000 0.249 108 E C -0.309 176.294 176.600 0.005 0.000 1.124 108 E CA 1.270 57.670 56.400 0.000 0.000 0.732 108 E CB -1.639 28.059 29.700 -0.004 0.000 1.286 108 E HN 0.496 nan 8.360 nan 0.000 0.394 109 T N -2.445 112.116 114.554 0.012 0.000 3.252 109 T HA 0.237 4.586 4.350 -0.002 0.000 0.286 109 T C 0.313 175.024 174.700 0.018 0.000 1.013 109 T CA -0.021 62.088 62.100 0.014 0.000 0.914 109 T CB 0.069 68.947 68.868 0.016 0.000 1.131 109 T HN 0.179 nan 8.240 nan 0.000 0.529 110 N N 1.727 120.437 118.700 0.016 0.000 2.686 110 N HA -0.134 4.605 4.740 -0.002 0.000 0.261 110 N C -0.238 175.289 175.510 0.027 0.000 1.001 110 N CA 1.368 54.428 53.050 0.017 0.000 0.764 110 N CB -1.387 37.107 38.487 0.012 0.000 0.898 110 N HN 0.744 nan 8.380 nan 0.000 0.544 111 T N -0.752 113.825 114.554 0.038 0.000 2.949 111 T HA 0.535 4.884 4.350 -0.002 0.000 0.287 111 T C 0.196 174.938 174.700 0.069 0.000 1.034 111 T CA -0.899 61.237 62.100 0.060 0.000 1.018 111 T CB 1.139 70.056 68.868 0.083 0.000 1.135 111 T HN 0.229 nan 8.240 nan 0.000 0.532 112 L N 3.792 125.071 121.223 0.092 0.000 2.700 112 L HA 0.081 4.420 4.340 -0.002 0.000 0.276 112 L C 1.175 178.099 176.870 0.089 0.000 1.200 112 L CA 1.354 56.250 54.840 0.094 0.000 0.951 112 L CB -0.523 41.615 42.059 0.132 0.000 1.226 112 L HN 1.011 nan 8.230 nan 0.000 0.489 113 Q N 1.138 120.940 119.800 0.004 0.000 2.253 113 Q HA -0.302 4.037 4.340 -0.002 0.000 0.186 113 Q C 0.562 176.515 176.000 -0.080 0.000 0.624 113 Q CA 1.182 56.931 55.803 -0.091 0.000 1.417 113 Q CB -1.639 26.928 28.738 -0.284 0.000 1.543 113 Q HN 0.897 nan 8.270 nan 0.000 0.809 114 A N -0.424 122.396 122.820 -0.000 0.000 2.251 114 A HA 0.633 4.952 4.320 -0.002 0.000 0.278 114 A C 1.500 179.075 177.584 -0.015 0.000 1.206 114 A CA 0.903 52.941 52.037 0.001 0.000 0.822 114 A CB 0.089 19.118 19.000 0.047 0.000 1.187 114 A HN 0.948 nan 8.150 nan 0.000 0.504 115 G N -1.954 106.834 108.800 -0.021 0.000 2.254 115 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.225 115 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.225 115 G C 0.227 175.108 174.900 -0.032 0.000 1.003 115 G CA 0.262 45.349 45.100 -0.020 0.000 0.622 115 G HN 1.794 nan 8.290 nan 0.000 0.507 116 I N -1.286 119.255 120.570 -0.047 0.000 2.377 116 I HA 0.659 4.828 4.170 -0.002 0.000 0.293 116 I C -0.680 175.374 176.117 -0.106 0.000 0.987 116 I CA -1.089 60.180 61.300 -0.052 0.000 1.185 116 I CB 1.800 39.790 38.000 -0.016 0.000 1.341 116 I HN -0.107 nan 8.210 nan 0.000 0.455 117 D N 5.603 125.944 120.400 -0.097 0.000 2.455 117 D HA 0.047 4.686 4.640 -0.002 0.000 0.234 117 D C 0.793 176.969 176.300 -0.206 0.000 1.224 117 D CA 0.354 54.270 54.000 -0.139 0.000 0.999 117 D CB 0.842 41.585 40.800 -0.096 0.000 1.072 117 D HN 0.694 nan 8.370 nan 0.000 0.514 118 Q N 1.307 120.874 119.800 -0.389 0.000 2.230 118 Q HA -0.067 4.272 4.340 -0.002 0.000 0.202 118 Q C 1.980 177.637 176.000 -0.571 0.000 0.963 118 Q CA 0.723 56.035 55.803 -0.820 0.000 0.866 118 Q CB 0.473 28.364 28.738 -1.412 0.000 0.931 118 Q HN 0.356 nan 8.270 nan 0.000 0.452 119 V N 0.834 120.527 119.914 -0.369 0.000 2.379 119 V HA -0.219 3.900 4.120 -0.002 0.000 0.245 119 V C 2.254 178.250 176.094 -0.163 0.000 1.044 119 V CA 1.735 63.880 62.300 -0.258 0.000 1.036 119 V CB -0.838 30.835 31.823 -0.249 0.000 0.664 119 V HN 0.378 nan 8.190 nan 0.000 0.453 120 A N -0.688 122.050 122.820 -0.136 0.000 1.933 120 A HA -0.238 4.081 4.320 -0.002 0.000 0.218 120 A C 2.254 179.803 177.584 -0.059 0.000 1.175 120 A CA 2.184 54.170 52.037 -0.084 0.000 0.628 120 A CB -0.478 18.480 19.000 -0.069 0.000 0.814 120 A HN 0.480 nan 8.150 nan 0.000 0.444 121 M N -0.879 118.701 119.600 -0.032 0.000 2.132 121 M HA -0.116 4.363 4.480 -0.002 0.000 0.263 121 M C 2.387 178.716 176.300 0.048 0.000 1.065 121 M CA 1.414 56.743 55.300 0.049 0.000 1.122 121 M CB -0.225 32.495 32.600 0.199 0.000 1.365 121 M HN 0.485 nan 8.290 nan 0.000 0.411 122 A N -0.173 122.685 122.820 0.063 0.000 2.067 122 A HA 0.164 4.483 4.320 -0.002 0.000 0.217 122 A C 2.259 179.767 177.584 -0.127 0.000 1.156 122 A CA 1.158 53.194 52.037 -0.001 0.000 0.683 122 A CB -0.646 18.385 19.000 0.053 0.000 0.808 122 A HN 0.469 nan 8.150 nan 0.000 0.455 123 A N 1.170 123.919 122.820 -0.117 0.000 1.903 123 A HA -0.134 4.185 4.320 -0.002 0.000 0.219 123 A C 0.110 177.561 177.584 -0.222 0.000 1.191 123 A CA 2.100 54.056 52.037 -0.136 0.000 0.638 123 A CB -1.780 17.168 19.000 -0.087 0.000 0.823 123 A HN 0.474 nan 8.150 nan 0.000 0.451 124 P HA 0.046 nan 4.420 nan 0.000 0.237 124 P C 0.548 177.478 177.300 -0.617 0.000 1.178 124 P CA 0.764 63.690 63.100 -0.290 0.000 0.766 124 P CB -0.125 31.476 31.700 -0.165 0.000 0.876 125 I N -4.583 115.539 120.570 -0.746 0.000 3.376 125 I HA 0.365 4.534 4.170 -0.002 0.000 0.326 125 I C -0.619 174.952 176.117 -0.911 0.000 1.538 125 I CA -0.569 60.022 61.300 -1.182 0.000 0.989 125 I CB 0.324 38.013 38.000 -0.517 0.000 1.413 125 I HN -0.262 nan 8.210 nan 0.000 0.547 126 T N -3.547 110.508 114.554 -0.832 0.000 2.883 126 T HA 0.449 4.798 4.350 -0.002 0.000 0.301 126 T C 0.368 175.050 174.700 -0.030 0.000 1.158 126 T CA -0.833 61.148 62.100 -0.199 0.000 1.007 126 T CB 2.633 71.484 68.868 -0.029 0.000 1.186 126 T HN 0.094 nan 8.240 nan 0.000 0.499 127 K N -0.567 120.055 120.400 0.370 0.000 2.148 127 K HA 0.056 4.375 4.320 -0.002 0.000 0.204 127 K C -0.231 176.590 176.600 0.369 0.000 1.050 127 K CA 1.014 57.549 56.287 0.413 0.000 0.942 127 K CB 0.111 32.835 32.500 0.374 0.000 0.724 127 K HN 0.626 nan 8.250 nan 0.000 0.446 128 W N -0.424 120.934 121.300 0.098 0.000 3.624 128 W HA 0.441 5.100 4.660 -0.002 0.000 0.312 128 W C -2.119 174.445 176.519 0.075 0.000 1.203 128 W CA -1.012 56.376 57.345 0.071 0.000 1.225 128 W CB 1.309 30.811 29.460 0.070 0.000 1.321 128 W HN -0.140 nan 8.180 nan 0.000 0.506 129 A N 4.478 127.146 122.820 -0.255 0.000 2.375 129 A HA 0.710 5.029 4.320 -0.002 0.000 0.295 129 A C -2.070 175.217 177.584 -0.494 0.000 1.066 129 A CA -0.400 51.434 52.037 -0.339 0.000 0.722 129 A CB 1.289 20.189 19.000 -0.167 0.000 1.206 129 A HN 0.805 nan 8.150 nan 0.000 0.435 130 H N 0.567 119.207 119.070 -0.716 0.000 3.046 130 H HA 0.656 5.211 4.556 -0.002 0.000 0.363 130 H C -0.852 174.245 175.328 -0.384 0.000 1.203 130 H CA -0.442 55.226 56.048 -0.633 0.000 1.169 130 H CB 1.400 30.506 29.762 -1.093 0.000 1.851 130 H HN 0.730 nan 8.280 nan 0.000 0.546 131 R N 3.603 123.623 120.500 -0.801 0.000 2.387 131 R HA 0.502 4.841 4.340 -0.002 0.000 0.314 131 R C -1.176 174.925 176.300 -0.331 0.000 0.958 131 R CA -0.844 54.989 56.100 -0.444 0.000 0.846 131 R CB 1.115 31.207 30.300 -0.347 0.000 1.147 131 R HN 0.405 nan 8.270 nan 0.000 0.447 132 V N 6.362 126.227 119.914 -0.081 0.000 2.508 132 V HA 0.046 4.165 4.120 -0.002 0.000 0.281 132 V C 1.064 177.184 176.094 0.043 0.000 1.041 132 V CA 0.170 62.509 62.300 0.065 0.000 1.016 132 V CB 1.442 33.320 31.823 0.092 0.000 0.984 132 V HN 0.869 nan 8.190 nan 0.000 0.478 133 M N 3.367 123.035 119.600 0.113 0.000 2.337 133 M HA 0.406 4.885 4.480 -0.002 0.000 0.256 133 M C 0.418 176.712 176.300 -0.010 0.000 1.075 133 M CA 0.387 55.723 55.300 0.060 0.000 1.024 133 M CB 0.548 33.211 32.600 0.105 0.000 1.429 133 M HN 0.718 nan 8.290 nan 0.000 0.497 134 A N -0.420 122.357 122.820 -0.072 0.000 2.547 134 A HA 0.565 4.884 4.320 -0.002 0.000 0.297 134 A C 0.697 178.184 177.584 -0.162 0.000 1.056 134 A CA -0.437 51.450 52.037 -0.251 0.000 0.688 134 A CB 0.692 19.286 19.000 -0.677 0.000 1.282 134 A HN 0.135 nan 8.150 nan 0.000 0.400 135 T N 0.992 115.484 114.554 -0.104 0.000 2.788 135 T HA -0.121 4.228 4.350 -0.002 0.000 0.268 135 T C 1.609 176.301 174.700 -0.013 0.000 1.044 135 T CA 1.950 64.031 62.100 -0.033 0.000 1.139 135 T CB -0.122 68.733 68.868 -0.022 0.000 0.867 135 T HN 0.814 nan 8.240 nan 0.000 0.454 136 E N 1.330 121.496 120.200 -0.056 0.000 2.268 136 E HA -0.157 4.192 4.350 -0.002 0.000 0.195 136 E C 1.391 178.067 176.600 0.127 0.000 0.995 136 E CA 1.092 57.500 56.400 0.013 0.000 0.836 136 E CB -0.776 28.925 29.700 0.001 0.000 0.763 136 E HN 0.707 nan 8.360 nan 0.000 0.491 137 H N 0.397 119.498 119.070 0.051 0.000 2.546 137 H HA 0.140 4.695 4.556 -0.002 0.000 0.277 137 H C 2.031 177.403 175.328 0.073 0.000 1.004 137 H CA 0.087 56.174 56.048 0.066 0.000 1.231 137 H CB 0.091 29.904 29.762 0.085 0.000 1.382 137 H HN 0.088 nan 8.280 nan 0.000 0.580 138 I N 1.147 121.820 120.570 0.172 0.000 2.076 138 I HA -0.216 3.953 4.170 -0.002 0.000 0.237 138 I C -0.575 175.607 176.117 0.108 0.000 1.059 138 I CA 1.249 62.625 61.300 0.126 0.000 1.317 138 I CB -1.081 36.971 38.000 0.087 0.000 1.037 138 I HN 0.198 nan 8.210 nan 0.000 0.398 139 P HA -0.208 nan 4.420 nan 0.000 0.216 139 P C 1.314 178.656 177.300 0.069 0.000 1.153 139 P CA 1.691 64.830 63.100 0.065 0.000 0.858 139 P CB -0.221 31.509 31.700 0.050 0.000 0.789 140 R N -0.820 119.726 120.500 0.077 0.000 2.075 140 R HA -0.062 4.277 4.340 -0.002 0.000 0.232 140 R C 1.801 178.150 176.300 0.081 0.000 1.126 140 R CA 1.357 57.492 56.100 0.059 0.000 0.963 140 R CB -1.484 28.838 30.300 0.037 0.000 0.858 140 R HN 0.078 nan 8.270 nan 0.000 0.435 141 L N 1.086 122.386 121.223 0.130 0.000 2.109 141 L HA -0.021 4.318 4.340 -0.002 0.000 0.207 141 L C 2.397 179.406 176.870 0.231 0.000 1.086 141 L CA 0.951 55.918 54.840 0.211 0.000 0.760 141 L CB -0.274 41.931 42.059 0.243 0.000 0.910 141 L HN 0.051 nan 8.230 nan 0.000 0.437 142 V N -1.123 118.885 119.914 0.157 0.000 2.295 142 V HA -0.329 3.790 4.120 -0.002 0.000 0.246 142 V C 2.506 178.674 176.094 0.123 0.000 1.049 142 V CA 1.713 64.093 62.300 0.133 0.000 1.024 142 V CB -0.455 31.420 31.823 0.087 0.000 0.648 142 V HN 0.354 nan 8.190 nan 0.000 0.447 143 M N -0.391 119.263 119.600 0.089 0.000 2.159 143 M HA -0.180 4.299 4.480 -0.002 0.000 0.263 143 M C 2.172 178.504 176.300 0.054 0.000 1.063 143 M CA 1.759 57.094 55.300 0.058 0.000 1.110 143 M CB -0.701 31.919 32.600 0.034 0.000 1.374 143 M HN 0.389 nan 8.290 nan 0.000 0.411 144 Q N -0.810 119.027 119.800 0.061 0.000 2.020 144 Q HA -0.186 4.153 4.340 -0.002 0.000 0.202 144 Q C 1.960 177.997 176.000 0.061 0.000 0.982 144 Q CA 2.118 57.916 55.803 -0.009 0.000 0.838 144 Q CB -0.267 28.424 28.738 -0.079 0.000 0.899 144 Q HN 0.569 nan 8.270 nan 0.000 0.423 145 A N 0.707 123.721 122.820 0.323 0.000 1.917 145 A HA -0.215 4.104 4.320 -0.002 0.000 0.219 145 A C 2.010 179.733 177.584 0.233 0.000 1.182 145 A CA 1.617 53.919 52.037 0.442 0.000 0.633 145 A CB -0.790 18.461 19.000 0.420 0.000 0.819 145 A HN 0.528 nan 8.150 nan 0.000 0.448 146 I N -1.087 119.571 120.570 0.148 0.000 2.252 146 I HA -0.263 3.906 4.170 -0.002 0.000 0.245 146 I C 2.792 178.950 176.117 0.069 0.000 1.102 146 I CA 1.305 62.663 61.300 0.097 0.000 1.385 146 I CB -0.335 37.706 38.000 0.068 0.000 1.064 146 I HN 0.315 nan 8.210 nan 0.000 0.414 147 R N 0.738 121.263 120.500 0.041 0.000 2.081 147 R HA -0.158 4.181 4.340 -0.002 0.000 0.235 147 R C 2.461 178.769 176.300 0.014 0.000 1.131 147 R CA 1.509 57.614 56.100 0.009 0.000 0.960 147 R CB -0.554 29.730 30.300 -0.026 0.000 0.856 147 R HN 0.365 nan 8.270 nan 0.000 0.436 148 A N 1.456 124.289 122.820 0.023 0.000 1.883 148 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 148 A C 2.401 180.045 177.584 0.099 0.000 1.186 148 A CA 1.927 53.991 52.037 0.045 0.000 0.624 148 A CB -0.687 18.364 19.000 0.085 0.000 0.822 148 A HN 0.419 nan 8.150 nan 0.000 0.444 149 A N -0.772 122.124 122.820 0.127 0.000 1.930 149 A HA 0.082 4.401 4.320 -0.002 0.000 0.217 149 A C 2.118 179.754 177.584 0.086 0.000 1.175 149 A CA 1.388 53.505 52.037 0.132 0.000 0.627 149 A CB -0.451 18.632 19.000 0.140 0.000 0.815 149 A HN 0.466 nan 8.150 nan 0.000 0.443 150 L N 0.426 121.685 121.223 0.060 0.000 2.270 150 L HA 0.011 4.350 4.340 -0.002 0.000 0.210 150 L C 1.234 178.117 176.870 0.022 0.000 1.104 150 L CA 0.456 55.318 54.840 0.035 0.000 0.804 150 L CB -0.271 41.801 42.059 0.023 0.000 0.937 150 L HN 0.440 nan 8.230 nan 0.000 0.450 151 S N 0.493 116.206 115.700 0.022 0.000 2.584 151 S HA 0.552 5.021 4.470 -0.002 0.000 0.273 151 S C 0.226 174.836 174.600 0.016 0.000 1.311 151 S CA -0.823 57.384 58.200 0.011 0.000 1.034 151 S CB 1.539 64.741 63.200 0.003 0.000 0.939 151 S HN 0.149 nan 8.310 nan 0.000 0.513 152 A N 3.509 126.333 122.820 0.007 0.000 2.511 152 A HA 0.491 4.810 4.320 -0.002 0.000 0.242 152 A C -1.994 175.594 177.584 0.006 0.000 1.069 152 A CA -1.170 50.868 52.037 0.003 0.000 0.763 152 A CB -0.769 18.229 19.000 -0.004 0.000 1.001 152 A HN 0.742 nan 8.150 nan 0.000 0.498 153 P HA 0.348 nan 4.420 nan 0.000 0.280 153 P C -0.419 176.885 177.300 0.008 0.000 1.244 153 P CA -0.465 62.629 63.100 -0.010 0.000 0.784 153 P CB 0.674 32.351 31.700 -0.039 0.000 0.913 154 R N 1.171 121.676 120.500 0.008 0.000 2.734 154 R HA 0.580 4.919 4.340 -0.002 0.000 0.266 154 R C 1.058 177.392 176.300 0.056 0.000 1.044 154 R CA 1.112 57.233 56.100 0.035 0.000 1.128 154 R CB -0.223 30.092 30.300 0.024 0.000 1.010 154 R HN 0.850 nan 8.270 nan 0.000 0.461 155 G N 1.322 110.194 108.800 0.120 0.000 2.451 155 G HA2 0.351 4.310 3.960 -0.002 0.000 0.292 155 G HA3 0.351 4.310 3.960 -0.002 0.000 0.292 155 G C -3.054 172.012 174.900 0.276 0.000 1.427 155 G CA -1.034 44.189 45.100 0.206 0.000 0.792 155 G HN 0.429 nan 8.290 nan 0.000 0.498 156 P HA 0.549 nan 4.420 nan 0.000 0.278 156 P C -0.687 176.845 177.300 0.386 0.000 1.238 156 P CA -0.399 62.962 63.100 0.435 0.000 0.794 156 P CB 2.017 34.046 31.700 0.549 0.000 0.955 157 V N 3.376 123.521 119.914 0.386 0.000 2.709 157 V HA 0.321 4.440 4.120 -0.002 0.000 0.308 157 V C -0.084 176.188 176.094 0.296 0.000 1.062 157 V CA -0.780 61.711 62.300 0.319 0.000 0.901 157 V CB 2.046 34.066 31.823 0.329 0.000 1.003 157 V HN 0.395 nan 8.190 nan 0.000 0.425 158 L N 5.137 126.446 121.223 0.144 0.000 2.276 158 L HA 0.540 4.879 4.340 -0.002 0.000 0.286 158 L C -0.719 176.120 176.870 -0.053 0.000 1.024 158 L CA 0.085 54.978 54.840 0.088 0.000 0.826 158 L CB 0.837 42.909 42.059 0.023 0.000 1.211 158 L HN 0.576 nan 8.230 nan 0.000 0.422 159 L N 4.935 126.165 121.223 0.012 0.000 2.265 159 L HA 0.371 4.710 4.340 -0.002 0.000 0.289 159 L C -0.631 176.217 176.870 -0.036 0.000 1.033 159 L CA -0.332 54.480 54.840 -0.047 0.000 0.814 159 L CB 1.180 43.255 42.059 0.027 0.000 1.203 159 L HN 0.605 nan 8.230 nan 0.000 0.423 160 D N 6.145 126.481 120.400 -0.105 0.000 2.317 160 D HA 0.263 4.902 4.640 -0.002 0.000 0.234 160 D C -0.824 175.439 176.300 -0.061 0.000 1.112 160 D CA -0.299 53.634 54.000 -0.112 0.000 0.840 160 D CB 1.165 41.842 40.800 -0.205 0.000 1.078 160 D HN 0.366 nan 8.370 nan 0.000 0.486 161 L N 6.221 127.435 121.223 -0.015 0.000 2.313 161 L HA 0.334 4.673 4.340 -0.002 0.000 0.273 161 L C -2.209 174.696 176.870 0.059 0.000 1.028 161 L CA -1.835 53.022 54.840 0.028 0.000 0.871 161 L CB 1.605 43.696 42.059 0.053 0.000 1.242 161 L HN 0.154 nan 8.230 nan 0.000 0.434 162 P HA -0.137 nan 4.420 nan 0.000 0.264 162 P C 0.147 177.574 177.300 0.212 0.000 1.183 162 P CA 0.002 63.167 63.100 0.108 0.000 0.763 162 P CB 0.524 32.260 31.700 0.060 0.000 0.807 163 W N 4.448 125.783 121.300 0.059 0.000 2.318 163 W HA -0.232 4.427 4.660 -0.002 0.000 0.313 163 W C 1.600 178.122 176.519 0.005 0.000 1.221 163 W CA 1.888 59.261 57.345 0.047 0.000 1.266 163 W CB -1.134 28.358 29.460 0.053 0.000 1.150 163 W HN 0.431 nan 8.180 nan 0.000 0.496 164 D N 0.074 120.531 120.400 0.095 0.000 2.355 164 D HA -0.282 4.357 4.640 -0.002 0.000 0.192 164 D C 2.088 178.384 176.300 -0.007 0.000 1.014 164 D CA 2.874 56.855 54.000 -0.032 0.000 0.862 164 D CB -0.696 40.104 40.800 0.000 0.000 0.986 164 D HN 0.129 nan 8.370 nan 0.000 0.456 165 I N -0.077 120.517 120.570 0.040 0.000 2.394 165 I HA -0.160 4.009 4.170 -0.002 0.000 0.251 165 I C 2.293 178.443 176.117 0.054 0.000 1.136 165 I CA 0.639 61.958 61.300 0.033 0.000 1.425 165 I CB -0.116 37.906 38.000 0.038 0.000 1.079 165 I HN 0.111 nan 8.210 nan 0.000 0.425 166 L N -1.324 119.962 121.223 0.105 0.000 2.179 166 L HA -0.099 4.240 4.340 -0.002 0.000 0.208 166 L C 2.338 179.271 176.870 0.105 0.000 1.096 166 L CA 0.972 55.889 54.840 0.128 0.000 0.779 166 L CB -0.330 41.851 42.059 0.202 0.000 0.922 166 L HN 0.208 nan 8.230 nan 0.000 0.443 167 M N -1.060 118.578 119.600 0.063 0.000 2.388 167 M HA -0.039 4.440 4.480 -0.002 0.000 0.265 167 M C 0.483 176.768 176.300 -0.026 0.000 1.088 167 M CA 0.258 55.556 55.300 -0.004 0.000 1.134 167 M CB -0.362 32.151 32.600 -0.146 0.000 1.384 167 M HN 0.170 nan 8.290 nan 0.000 0.447 168 N N 2.212 120.894 118.700 -0.031 0.000 2.219 168 N HA -0.099 4.640 4.740 -0.002 0.000 0.263 168 N C -0.629 174.874 175.510 -0.011 0.000 1.269 168 N CA 0.717 53.749 53.050 -0.029 0.000 0.831 168 N CB 0.384 38.856 38.487 -0.025 0.000 1.059 168 N HN 0.235 nan 8.380 nan 0.000 0.475 169 Q N 2.178 121.969 119.800 -0.015 0.000 2.307 169 Q HA 0.479 4.818 4.340 -0.002 0.000 0.262 169 Q C -0.778 175.218 176.000 -0.005 0.000 0.961 169 Q CA -0.787 55.013 55.803 -0.004 0.000 0.882 169 Q CB 1.300 30.035 28.738 -0.005 0.000 1.264 169 Q HN 0.536 nan 8.270 nan 0.000 0.446 170 I N -1.918 118.653 120.570 0.002 0.000 2.846 170 I HA 0.435 4.604 4.170 -0.002 0.000 0.307 170 I C -0.482 175.640 176.117 0.007 0.000 1.053 170 I CA -1.213 60.087 61.300 0.002 0.000 1.050 170 I CB 1.487 39.488 38.000 0.001 0.000 1.239 170 I HN 0.319 nan 8.210 nan 0.000 0.439 171 D N 2.811 123.215 120.400 0.006 0.000 2.382 171 D HA 0.030 4.669 4.640 -0.002 0.000 0.259 171 D C 1.206 177.514 176.300 0.014 0.000 1.224 171 D CA 0.314 54.319 54.000 0.009 0.000 0.894 171 D CB 0.930 41.734 40.800 0.007 0.000 1.127 171 D HN 0.796 nan 8.370 nan 0.000 0.487 172 E N 2.386 122.596 120.200 0.017 0.000 2.153 172 E HA -0.240 4.109 4.350 -0.002 0.000 0.194 172 E C 0.539 177.151 176.600 0.019 0.000 0.988 172 E CA 0.894 57.307 56.400 0.021 0.000 0.811 172 E CB -0.035 29.681 29.700 0.026 0.000 0.746 172 E HN 0.444 nan 8.360 nan 0.000 0.466 173 D N 0.928 121.338 120.400 0.016 0.000 2.371 173 D HA -0.082 4.557 4.640 -0.002 0.000 0.221 173 D C 1.971 178.280 176.300 0.014 0.000 0.986 173 D CA 1.258 55.266 54.000 0.014 0.000 0.899 173 D CB 0.158 40.966 40.800 0.012 0.000 0.902 173 D HN 0.371 nan 8.370 nan 0.000 0.530 174 S N -0.804 114.905 115.700 0.015 0.000 2.421 174 S HA 0.010 4.479 4.470 -0.002 0.000 0.224 174 S C 0.942 175.554 174.600 0.020 0.000 1.035 174 S CA -0.260 57.949 58.200 0.016 0.000 0.953 174 S CB 0.116 63.324 63.200 0.013 0.000 0.810 174 S HN 0.032 nan 8.310 nan 0.000 0.497 175 V N 2.333 122.261 119.914 0.023 0.000 2.427 175 V HA 0.615 4.734 4.120 -0.002 0.000 0.286 175 V C -0.542 175.569 176.094 0.028 0.000 1.034 175 V CA -1.219 61.099 62.300 0.030 0.000 0.893 175 V CB 1.215 33.060 31.823 0.036 0.000 0.982 175 V HN 0.546 nan 8.190 nan 0.000 0.452 176 I N 7.626 128.214 120.570 0.030 0.000 2.371 176 I HA 0.445 4.614 4.170 -0.002 0.000 0.290 176 I C -0.142 175.990 176.117 0.024 0.000 1.028 176 I CA 0.248 61.562 61.300 0.023 0.000 1.345 176 I CB 0.816 38.828 38.000 0.020 0.000 1.407 176 I HN 0.580 nan 8.210 nan 0.000 0.501 177 I N 10.448 131.028 120.570 0.017 0.000 2.308 177 I HA 0.310 4.479 4.170 -0.002 0.000 0.293 177 I C -1.956 174.166 176.117 0.009 0.000 1.078 177 I CA -1.609 59.699 61.300 0.013 0.000 1.292 177 I CB 0.092 38.094 38.000 0.004 0.000 1.423 177 I HN 0.504 nan 8.210 nan 0.000 0.493 178 P HA 0.192 nan 4.420 nan 0.000 0.276 178 P C -0.714 176.587 177.300 0.002 0.000 1.252 178 P CA -0.482 62.622 63.100 0.007 0.000 0.802 178 P CB 0.738 32.443 31.700 0.008 0.000 1.035 179 D N 0.182 120.582 120.400 -0.001 0.000 2.354 179 D HA 0.119 4.758 4.640 -0.002 0.000 0.247 179 D C -0.074 176.224 176.300 -0.003 0.000 1.138 179 D CA -0.131 53.866 54.000 -0.004 0.000 0.958 179 D CB 0.798 41.596 40.800 -0.005 0.000 1.144 179 D HN 0.186 nan 8.370 nan 0.000 0.458 180 L N 2.038 123.259 121.223 -0.004 0.000 2.385 180 L HA 0.126 4.465 4.340 -0.002 0.000 0.285 180 L C -0.861 176.004 176.870 -0.009 0.000 1.125 180 L CA -0.143 54.695 54.840 -0.005 0.000 0.890 180 L CB 0.077 42.134 42.059 -0.003 0.000 1.251 180 L HN 0.022 nan 8.230 nan 0.000 0.445 181 V N 6.795 126.703 119.914 -0.010 0.000 2.288 181 V HA 0.469 4.588 4.120 -0.002 0.000 0.266 181 V C -0.287 175.798 176.094 -0.014 0.000 1.048 181 V CA -0.407 61.886 62.300 -0.011 0.000 0.842 181 V CB 0.711 32.529 31.823 -0.009 0.000 1.064 181 V HN 0.640 nan 8.190 nan 0.000 0.472 182 L N 3.755 124.968 121.223 -0.018 0.000 2.588 182 L HA 0.540 4.879 4.340 -0.002 0.000 0.263 182 L C -0.056 176.795 176.870 -0.032 0.000 0.935 182 L CA 0.102 54.929 54.840 -0.021 0.000 0.891 182 L CB 2.387 44.433 42.059 -0.021 0.000 1.318 182 L HN 0.465 nan 8.230 nan 0.000 0.409 183 S N 3.118 118.804 115.700 -0.023 0.000 2.516 183 S HA 0.426 4.895 4.470 -0.002 0.000 0.282 183 S C 1.397 175.932 174.600 -0.108 0.000 1.286 183 S CA 0.282 58.461 58.200 -0.036 0.000 1.066 183 S CB 1.075 64.301 63.200 0.043 0.000 0.884 183 S HN 0.920 nan 8.310 nan 0.000 0.491 184 A N 5.268 127.931 122.820 -0.260 0.000 1.969 184 A HA 0.021 4.340 4.320 -0.002 0.000 0.218 184 A C 0.853 178.266 177.584 -0.285 0.000 1.169 184 A CA 0.818 52.674 52.037 -0.301 0.000 0.635 184 A CB -0.623 18.155 19.000 -0.369 0.000 0.810 184 A HN 0.956 nan 8.150 nan 0.000 0.445 185 H N -0.009 119.054 119.070 -0.011 0.000 2.610 185 H HA 0.418 4.973 4.556 -0.002 0.000 0.336 185 H C 0.766 176.085 175.328 -0.015 0.000 1.087 185 H CA 0.012 56.052 56.048 -0.014 0.000 1.405 185 H CB 0.471 30.224 29.762 -0.014 0.000 1.460 185 H HN 0.252 nan 8.280 nan 0.000 0.538 186 G N 0.559 109.412 108.800 0.087 0.000 2.547 186 G HA2 0.433 4.392 3.960 -0.002 0.000 0.291 186 G HA3 0.433 4.392 3.960 -0.002 0.000 0.291 186 G C -0.297 174.624 174.900 0.035 0.000 1.211 186 G CA -0.388 44.736 45.100 0.041 0.000 0.950 186 G HN 0.798 nan 8.290 nan 0.000 0.504 187 A N 0.026 122.855 122.820 0.016 0.000 2.440 187 A HA 0.541 4.860 4.320 -0.002 0.000 0.251 187 A C 0.755 178.336 177.584 -0.005 0.000 1.089 187 A CA -0.222 51.819 52.037 0.006 0.000 0.779 187 A CB 0.275 19.276 19.000 0.002 0.000 1.022 187 A HN 0.657 nan 8.150 nan 0.000 0.492 188 R N 1.781 122.275 120.500 -0.010 0.000 2.549 188 R HA 0.470 4.809 4.340 -0.002 0.000 0.267 188 R C -2.482 173.807 176.300 -0.019 0.000 1.045 188 R CA -1.600 54.487 56.100 -0.021 0.000 1.115 188 R CB 0.195 30.479 30.300 -0.026 0.000 1.121 188 R HN 0.487 nan 8.270 nan 0.000 0.543 189 P HA -0.041 nan 4.420 nan 0.000 0.274 189 P C -0.858 176.436 177.300 -0.010 0.000 1.231 189 P CA -0.332 62.758 63.100 -0.015 0.000 0.790 189 P CB 0.425 32.113 31.700 -0.019 0.000 0.951 190 D N 2.755 123.153 120.400 -0.004 0.000 2.493 190 D HA -0.036 4.603 4.640 -0.002 0.000 0.240 190 D C -1.139 175.162 176.300 0.002 0.000 1.142 190 D CA -1.222 52.777 54.000 -0.001 0.000 0.872 190 D CB 0.663 41.464 40.800 0.002 0.000 1.173 190 D HN 0.174 nan 8.370 nan 0.000 0.467 191 P HA -0.177 nan 4.420 nan 0.000 0.220 191 P C 0.898 178.206 177.300 0.013 0.000 1.144 191 P CA 1.085 64.189 63.100 0.007 0.000 0.800 191 P CB 0.136 31.840 31.700 0.006 0.000 0.772 192 A N 0.551 123.378 122.820 0.011 0.000 1.897 192 A HA -0.171 4.148 4.320 -0.002 0.000 0.215 192 A C 1.831 179.426 177.584 0.017 0.000 1.181 192 A CA 2.009 54.054 52.037 0.013 0.000 0.620 192 A CB -1.294 17.712 19.000 0.010 0.000 0.821 192 A HN 0.138 nan 8.150 nan 0.000 0.443 193 D N -0.673 119.737 120.400 0.016 0.000 2.224 193 D HA -0.037 4.602 4.640 -0.002 0.000 0.205 193 D C 1.676 177.991 176.300 0.025 0.000 0.965 193 D CA 0.612 54.624 54.000 0.019 0.000 0.852 193 D CB -0.072 40.736 40.800 0.014 0.000 0.947 193 D HN 0.317 nan 8.370 nan 0.000 0.494 194 L N 0.693 121.929 121.223 0.021 0.000 2.072 194 L HA -0.097 4.242 4.340 -0.002 0.000 0.205 194 L C 1.173 178.075 176.870 0.055 0.000 1.079 194 L CA 1.690 56.546 54.840 0.027 0.000 0.752 194 L CB -0.215 41.850 42.059 0.011 0.000 0.906 194 L HN -0.135 nan 8.230 nan 0.000 0.436 195 D N -1.106 119.322 120.400 0.047 0.000 2.144 195 D HA -0.231 4.408 4.640 -0.002 0.000 0.199 195 D C 2.041 178.374 176.300 0.054 0.000 0.984 195 D CA 1.320 55.352 54.000 0.053 0.000 0.834 195 D CB 0.009 40.829 40.800 0.033 0.000 0.955 195 D HN 0.524 nan 8.370 nan 0.000 0.465 196 Q N 0.622 120.449 119.800 0.045 0.000 2.016 196 Q HA -0.075 4.264 4.340 -0.002 0.000 0.200 196 Q C 2.038 178.076 176.000 0.064 0.000 0.978 196 Q CA 1.890 57.719 55.803 0.044 0.000 0.833 196 Q CB -0.211 28.547 28.738 0.033 0.000 0.895 196 Q HN 0.139 nan 8.270 nan 0.000 0.427 197 A N 0.771 123.634 122.820 0.071 0.000 1.908 197 A HA -0.158 4.161 4.320 -0.002 0.000 0.218 197 A C 2.140 179.813 177.584 0.149 0.000 1.181 197 A CA 1.485 53.578 52.037 0.093 0.000 0.627 197 A CB -0.857 18.188 19.000 0.075 0.000 0.818 197 A HN 0.499 nan 8.150 nan 0.000 0.445 198 L N -0.955 120.375 121.223 0.178 0.000 2.083 198 L HA -0.192 4.147 4.340 -0.002 0.000 0.209 198 L C 3.100 180.113 176.870 0.238 0.000 1.083 198 L CA 1.017 56.037 54.840 0.300 0.000 0.752 198 L CB -0.453 41.795 42.059 0.315 0.000 0.899 198 L HN 0.456 nan 8.230 nan 0.000 0.433 199 A N -0.274 122.615 122.820 0.115 0.000 1.873 199 A HA -0.193 4.126 4.320 -0.002 0.000 0.215 199 A C 2.260 179.878 177.584 0.058 0.000 1.186 199 A CA 1.359 53.422 52.037 0.043 0.000 0.616 199 A CB -0.708 18.303 19.000 0.018 0.000 0.823 199 A HN 0.360 nan 8.150 nan 0.000 0.442 200 L N -0.431 120.839 121.223 0.079 0.000 2.131 200 L HA -0.130 4.209 4.340 -0.002 0.000 0.210 200 L C 2.509 179.437 176.870 0.096 0.000 1.092 200 L CA 1.521 56.404 54.840 0.071 0.000 0.759 200 L CB -0.183 41.915 42.059 0.066 0.000 0.903 200 L HN 0.677 nan 8.230 nan 0.000 0.435 201 L N -2.604 118.715 121.223 0.159 0.000 2.446 201 L HA -0.016 4.323 4.340 -0.002 0.000 0.219 201 L C 2.520 179.549 176.870 0.266 0.000 1.116 201 L CA 0.849 55.809 54.840 0.201 0.000 0.844 201 L CB -0.374 41.824 42.059 0.233 0.000 0.970 201 L HN 0.034 nan 8.230 nan 0.000 0.457 202 R N 1.879 122.527 120.500 0.246 0.000 2.062 202 R HA -0.048 4.291 4.340 -0.002 0.000 0.231 202 R C 0.656 176.985 176.300 0.048 0.000 1.136 202 R CA 1.393 57.566 56.100 0.122 0.000 0.948 202 R CB -0.053 30.106 30.300 -0.236 0.000 0.845 202 R HN 0.457 nan 8.270 nan 0.000 0.430 203 K N 0.974 121.382 120.400 0.014 0.000 2.155 203 K HA 0.348 4.667 4.320 -0.002 0.000 0.240 203 K C -1.380 175.227 176.600 0.011 0.000 1.193 203 K CA 0.002 56.289 56.287 -0.001 0.000 1.104 203 K CB 1.076 33.566 32.500 -0.016 0.000 1.558 203 K HN 0.123 nan 8.250 nan 0.000 0.313 204 A N 2.476 125.304 122.820 0.013 0.000 2.465 204 A HA 0.221 4.540 4.320 -0.002 0.000 0.292 204 A C 0.148 177.695 177.584 -0.061 0.000 1.041 204 A CA -0.818 51.210 52.037 -0.015 0.000 0.718 204 A CB 1.211 20.220 19.000 0.015 0.000 1.266 204 A HN 0.574 nan 8.150 nan 0.000 0.403 205 E N 0.972 121.099 120.200 -0.121 0.000 2.076 205 E HA -0.033 4.316 4.350 -0.002 0.000 0.190 205 E C 0.132 176.491 176.600 -0.403 0.000 0.979 205 E CA 0.826 57.114 56.400 -0.188 0.000 0.807 205 E CB 0.136 29.735 29.700 -0.168 0.000 0.761 205 E HN 0.581 nan 8.360 nan 0.000 0.454 206 R N 0.938 121.106 120.500 -0.553 0.000 2.639 206 R HA 0.238 4.577 4.340 -0.002 0.000 0.273 206 R C -2.672 173.316 176.300 -0.521 0.000 1.732 206 R CA -1.439 53.936 56.100 -1.208 0.000 1.586 206 R CB 1.532 30.874 30.300 -1.597 0.000 1.263 206 R HN 0.047 nan 8.270 nan 0.000 0.615 207 P HA 0.240 nan 4.420 nan 0.000 0.292 207 P C -0.583 176.949 177.300 0.386 0.000 1.283 207 P CA -0.613 62.568 63.100 0.135 0.000 0.835 207 P CB 1.758 33.525 31.700 0.113 0.000 1.017 208 V N 0.461 120.546 119.914 0.286 0.000 2.841 208 V HA 0.598 4.717 4.120 -0.002 0.000 0.310 208 V C -0.421 175.790 176.094 0.195 0.000 1.090 208 V CA -1.012 61.472 62.300 0.307 0.000 0.930 208 V CB 1.833 33.853 31.823 0.328 0.000 1.014 208 V HN 0.301 nan 8.190 nan 0.000 0.425 209 I N 3.311 123.997 120.570 0.193 0.000 2.385 209 I HA 0.606 4.775 4.170 -0.002 0.000 0.294 209 I C -0.597 175.608 176.117 0.147 0.000 0.988 209 I CA -0.886 60.498 61.300 0.141 0.000 1.265 209 I CB 1.963 40.039 38.000 0.128 0.000 1.388 209 I HN 0.442 nan 8.210 nan 0.000 0.480 210 V N 7.305 127.263 119.914 0.074 0.000 2.376 210 V HA 0.380 4.499 4.120 -0.002 0.000 0.287 210 V C -0.000 176.094 176.094 -0.000 0.000 1.015 210 V CA -0.504 61.820 62.300 0.039 0.000 0.834 210 V CB 1.505 33.300 31.823 -0.045 0.000 1.001 210 V HN 0.485 nan 8.190 nan 0.000 0.428 211 L N 4.114 125.341 121.223 0.007 0.000 2.357 211 L HA 0.792 5.131 4.340 -0.002 0.000 0.273 211 L C 0.987 177.836 176.870 -0.035 0.000 1.080 211 L CA 0.032 54.864 54.840 -0.013 0.000 0.803 211 L CB 1.328 43.385 42.059 -0.004 0.000 1.174 211 L HN 0.723 nan 8.230 nan 0.000 0.443 212 G N -0.276 108.499 108.800 -0.042 0.000 3.075 212 G HA2 0.345 4.304 3.960 -0.002 0.000 0.253 212 G HA3 0.345 4.304 3.960 -0.002 0.000 0.253 212 G C 0.743 175.618 174.900 -0.042 0.000 1.353 212 G CA 0.270 45.339 45.100 -0.052 0.000 1.051 212 G HN 0.639 nan 8.290 nan 0.000 0.553 213 S N -0.622 115.048 115.700 -0.050 0.000 2.368 213 S HA -0.120 4.349 4.470 -0.002 0.000 0.225 213 S C 1.616 176.195 174.600 -0.035 0.000 1.030 213 S CA 1.686 59.859 58.200 -0.045 0.000 0.999 213 S CB -0.272 62.893 63.200 -0.059 0.000 0.844 213 S HN 0.487 nan 8.310 nan 0.000 0.459 214 E N 1.770 121.949 120.200 -0.034 0.000 2.333 214 E HA 0.016 4.365 4.350 -0.002 0.000 0.198 214 E C 2.182 178.767 176.600 -0.026 0.000 1.007 214 E CA 0.925 57.308 56.400 -0.028 0.000 0.845 214 E CB -0.523 29.161 29.700 -0.028 0.000 0.766 214 E HN 0.727 nan 8.360 nan 0.000 0.507 215 A N 0.416 123.220 122.820 -0.026 0.000 1.929 215 A HA -0.061 4.258 4.320 -0.002 0.000 0.216 215 A C 2.450 180.022 177.584 -0.020 0.000 1.176 215 A CA 1.230 53.254 52.037 -0.022 0.000 0.628 215 A CB -0.173 18.815 19.000 -0.020 0.000 0.816 215 A HN 0.123 nan 8.150 nan 0.000 0.444 216 S N -0.717 114.971 115.700 -0.020 0.000 2.414 216 S HA -0.050 4.419 4.470 -0.002 0.000 0.227 216 S C 2.163 176.748 174.600 -0.025 0.000 1.022 216 S CA 0.502 58.690 58.200 -0.020 0.000 0.958 216 S CB -0.199 62.990 63.200 -0.018 0.000 0.797 216 S HN 0.489 nan 8.310 nan 0.000 0.493 217 R N 1.312 121.798 120.500 -0.024 0.000 2.070 217 R HA -0.056 4.283 4.340 -0.002 0.000 0.233 217 R C 2.659 178.945 176.300 -0.023 0.000 1.137 217 R CA 1.973 58.059 56.100 -0.023 0.000 0.945 217 R CB -1.883 28.407 30.300 -0.017 0.000 0.845 217 R HN 0.620 nan 8.270 nan 0.000 0.430 218 T N -1.248 113.294 114.554 -0.021 0.000 2.951 218 T HA 0.127 4.476 4.350 -0.002 0.000 0.268 218 T C 1.291 175.979 174.700 -0.020 0.000 1.073 218 T CA 0.907 62.995 62.100 -0.020 0.000 1.134 218 T CB -0.183 68.675 68.868 -0.017 0.000 0.884 218 T HN 0.377 nan 8.240 nan 0.000 0.479 219 A N 1.588 124.396 122.820 -0.020 0.000 2.748 219 A HA -0.194 4.125 4.320 -0.002 0.000 0.297 219 A C 0.926 178.502 177.584 -0.014 0.000 1.508 219 A CA 0.716 52.742 52.037 -0.019 0.000 0.799 219 A CB -1.952 17.034 19.000 -0.024 0.000 1.011 219 A HN 0.533 nan 8.150 nan 0.000 0.500 220 R N -0.202 120.291 120.500 -0.011 0.000 4.860 220 R HA 0.095 4.434 4.340 -0.002 0.000 0.191 220 R C 1.276 177.575 176.300 -0.003 0.000 1.936 220 R CA 0.449 56.546 56.100 -0.005 0.000 1.609 220 R CB -0.222 30.076 30.300 -0.003 0.000 1.392 220 R HN 0.737 nan 8.270 nan 0.000 0.844 221 K N -0.171 120.226 120.400 -0.004 0.000 2.009 221 K HA -0.175 4.144 4.320 -0.002 0.000 0.210 221 K C 2.051 178.651 176.600 0.001 0.000 1.049 221 K CA 2.123 58.408 56.287 -0.004 0.000 0.929 221 K CB -0.150 32.344 32.500 -0.009 0.000 0.714 221 K HN 0.223 nan 8.250 nan 0.000 0.440 222 T N 0.352 114.907 114.554 0.001 0.000 2.803 222 T HA -0.146 4.203 4.350 -0.002 0.000 0.269 222 T C 1.910 176.617 174.700 0.012 0.000 1.052 222 T CA 1.449 63.551 62.100 0.004 0.000 1.136 222 T CB -0.184 68.686 68.868 0.004 0.000 0.864 222 T HN 0.288 nan 8.240 nan 0.000 0.467 223 A N 0.825 123.653 122.820 0.014 0.000 1.929 223 A HA 0.189 4.508 4.320 -0.002 0.000 0.216 223 A C 2.248 179.862 177.584 0.050 0.000 1.176 223 A CA 1.382 53.432 52.037 0.022 0.000 0.628 223 A CB -0.838 18.164 19.000 0.003 0.000 0.816 223 A HN 0.549 nan 8.150 nan 0.000 0.444 224 L N -0.222 121.027 121.223 0.043 0.000 2.131 224 L HA -0.106 4.233 4.340 -0.002 0.000 0.210 224 L C 2.465 179.380 176.870 0.075 0.000 1.092 224 L CA 2.258 57.147 54.840 0.081 0.000 0.759 224 L CB -0.472 41.614 42.059 0.044 0.000 0.903 224 L HN 0.281 nan 8.230 nan 0.000 0.435 225 S N -0.478 115.240 115.700 0.030 0.000 2.345 225 S HA -0.131 4.338 4.470 -0.002 0.000 0.220 225 S C 2.104 176.703 174.600 -0.002 0.000 1.031 225 S CA 1.128 59.327 58.200 -0.000 0.000 0.996 225 S CB -0.557 62.637 63.200 -0.010 0.000 0.882 225 S HN 0.676 nan 8.310 nan 0.000 0.445 226 A N 0.593 123.427 122.820 0.023 0.000 1.948 226 A HA -0.150 4.169 4.320 -0.002 0.000 0.220 226 A C 1.945 179.548 177.584 0.033 0.000 1.177 226 A CA 1.689 53.739 52.037 0.022 0.000 0.636 226 A CB -0.884 18.139 19.000 0.038 0.000 0.815 226 A HN 0.586 nan 8.150 nan 0.000 0.449 227 F N -0.572 119.322 119.950 -0.094 0.000 2.163 227 F HA -0.067 4.459 4.527 -0.002 0.000 0.297 227 F C 2.224 177.916 175.800 -0.181 0.000 1.094 227 F CA 1.637 59.555 58.000 -0.137 0.000 1.290 227 F CB 0.011 38.946 39.000 -0.109 0.000 1.017 227 F HN 0.063 nan 8.300 nan 0.000 0.483 228 V N 0.195 119.956 119.914 -0.256 0.000 2.667 228 V HA -0.120 3.999 4.120 -0.002 0.000 0.252 228 V C 2.304 178.218 176.094 -0.300 0.000 1.065 228 V CA 1.545 63.633 62.300 -0.353 0.000 1.083 228 V CB -0.491 31.233 31.823 -0.166 0.000 0.692 228 V HN 0.464 nan 8.190 nan 0.000 0.468 229 A N -0.236 122.458 122.820 -0.209 0.000 1.872 229 A HA 0.058 4.377 4.320 -0.002 0.000 0.214 229 A C 2.388 179.854 177.584 -0.197 0.000 1.187 229 A CA 1.689 53.630 52.037 -0.159 0.000 0.614 229 A CB -0.846 18.098 19.000 -0.093 0.000 0.826 229 A HN 0.667 nan 8.150 nan 0.000 0.442 230 A N -0.306 122.363 122.820 -0.251 0.000 1.930 230 A HA -0.072 4.247 4.320 -0.002 0.000 0.217 230 A C 2.391 179.640 177.584 -0.560 0.000 1.175 230 A CA 2.493 54.352 52.037 -0.296 0.000 0.627 230 A CB -1.106 17.743 19.000 -0.252 0.000 0.815 230 A HN 0.705 nan 8.150 nan 0.000 0.443 231 T N -4.200 109.874 114.554 -0.800 0.000 3.031 231 T HA 0.363 4.712 4.350 -0.002 0.000 0.254 231 T C 1.426 175.868 174.700 -0.430 0.000 1.060 231 T CA 1.051 62.576 62.100 -0.958 0.000 1.135 231 T CB -0.535 67.558 68.868 -1.292 0.000 0.896 231 T HN 1.718 nan 8.240 nan 0.000 0.472 232 G N 1.192 109.789 108.800 -0.339 0.000 2.338 232 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.296 232 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.296 232 G C -0.154 174.678 174.900 -0.115 0.000 1.040 232 G CA 0.125 45.122 45.100 -0.172 0.000 1.004 232 G HN 0.748 nan 8.290 nan 0.000 0.509 233 V N 0.984 120.793 119.914 -0.176 0.000 2.459 233 V HA 0.496 4.615 4.120 -0.002 0.000 0.295 233 V C -1.702 174.359 176.094 -0.055 0.000 1.029 233 V CA -1.876 60.389 62.300 -0.060 0.000 0.874 233 V CB 2.144 33.910 31.823 -0.096 0.000 0.985 233 V HN 0.193 nan 8.190 nan 0.000 0.438 234 P HA 0.191 nan 4.420 nan 0.000 0.268 234 P C -0.930 176.321 177.300 -0.082 0.000 1.205 234 P CA 0.033 63.066 63.100 -0.111 0.000 0.771 234 P CB 0.567 32.172 31.700 -0.158 0.000 0.858 235 V N 4.090 123.874 119.914 -0.218 0.000 2.448 235 V HA 0.458 4.577 4.120 -0.002 0.000 0.295 235 V C -0.138 175.770 176.094 -0.310 0.000 1.025 235 V CA -0.348 61.872 62.300 -0.133 0.000 0.859 235 V CB 0.721 32.495 31.823 -0.082 0.000 0.988 235 V HN 0.378 nan 8.190 nan 0.000 0.431 236 F N 1.913 121.822 119.950 -0.069 0.000 2.572 236 F HA 0.935 5.462 4.527 -0.001 0.000 0.342 236 F C 0.479 176.228 175.800 -0.084 0.000 1.064 236 F CA -0.549 57.399 58.000 -0.087 0.000 1.008 236 F CB 2.002 40.934 39.000 -0.113 0.000 1.303 236 F HN 0.652 nan 8.300 nan 0.000 0.492 237 A N 0.331 123.220 122.820 0.114 0.000 2.604 237 A HA 0.543 4.862 4.320 -0.002 0.000 0.295 237 A C -1.673 175.879 177.584 -0.053 0.000 1.067 237 A CA -0.916 51.129 52.037 0.013 0.000 0.683 237 A CB 1.009 20.007 19.000 -0.003 0.000 1.281 237 A HN 0.669 nan 8.150 nan 0.000 0.407 238 D N 0.149 120.483 120.400 -0.110 0.000 2.384 238 D HA 0.208 4.847 4.640 -0.002 0.000 0.244 238 D C 0.795 177.015 176.300 -0.134 0.000 1.251 238 D CA -0.105 53.752 54.000 -0.238 0.000 0.961 238 D CB -0.019 40.647 40.800 -0.224 0.000 1.116 238 D HN 0.495 nan 8.370 nan 0.000 0.484 239 Y N -0.904 119.437 120.300 0.068 0.000 2.102 239 Y HA -0.202 4.347 4.550 -0.002 0.000 0.280 239 Y C 2.462 178.464 175.900 0.170 0.000 1.178 239 Y CA 1.895 60.119 58.100 0.206 0.000 1.146 239 Y CB -0.776 37.783 38.460 0.166 0.000 0.968 239 Y HN 0.495 nan 8.280 nan 0.000 0.504 240 E N -0.025 120.273 120.200 0.163 0.000 2.152 240 E HA -0.056 4.293 4.350 -0.002 0.000 0.192 240 E C 2.431 179.060 176.600 0.048 0.000 0.983 240 E CA 1.146 57.583 56.400 0.061 0.000 0.818 240 E CB -0.588 29.099 29.700 -0.020 0.000 0.758 240 E HN 0.408 nan 8.360 nan 0.000 0.467 241 G N 0.131 108.950 108.800 0.031 0.000 2.623 241 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.214 241 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.214 241 G C 1.375 176.291 174.900 0.026 0.000 1.138 241 G CA 0.458 45.566 45.100 0.013 0.000 0.794 241 G HN 0.304 nan 8.290 nan 0.000 0.535 242 L N 2.427 123.688 121.223 0.064 0.000 2.021 242 L HA -0.206 4.133 4.340 -0.002 0.000 0.215 242 L C 3.019 179.895 176.870 0.010 0.000 1.074 242 L CA 2.818 57.678 54.840 0.033 0.000 0.760 242 L CB -0.757 41.332 42.059 0.050 0.000 0.889 242 L HN 0.314 nan 8.230 nan 0.000 0.433 243 S N -1.979 113.749 115.700 0.047 0.000 2.469 243 S HA -0.173 4.296 4.470 -0.002 0.000 0.238 243 S C 1.845 176.443 174.600 -0.004 0.000 0.998 243 S CA 1.137 59.350 58.200 0.022 0.000 0.957 243 S CB -0.579 62.647 63.200 0.044 0.000 0.764 243 S HN 0.442 nan 8.310 nan 0.000 0.514 244 M N 1.128 120.725 119.600 -0.005 0.000 2.476 244 M HA 0.213 4.692 4.480 -0.002 0.000 0.262 244 M C 1.615 177.899 176.300 -0.027 0.000 1.079 244 M CA 0.816 56.108 55.300 -0.014 0.000 1.104 244 M CB -1.073 31.521 32.600 -0.010 0.000 1.409 244 M HN 0.430 nan 8.290 nan 0.000 0.467 245 L N -1.745 119.454 121.223 -0.040 0.000 2.509 245 L HA 0.020 4.359 4.340 -0.002 0.000 0.222 245 L C 2.167 178.997 176.870 -0.066 0.000 1.123 245 L CA 0.083 54.884 54.840 -0.064 0.000 0.856 245 L CB -0.664 41.339 42.059 -0.092 0.000 0.985 245 L HN 0.122 nan 8.230 nan 0.000 0.456 246 S N 0.779 116.448 115.700 -0.052 0.000 2.440 246 S HA -0.100 4.369 4.470 -0.002 0.000 0.238 246 S C 1.816 176.387 174.600 -0.049 0.000 1.010 246 S CA 1.359 59.529 58.200 -0.051 0.000 0.972 246 S CB -0.183 62.995 63.200 -0.037 0.000 0.774 246 S HN 0.636 nan 8.310 nan 0.000 0.501 247 G N 0.124 108.899 108.800 -0.043 0.000 3.126 247 G HA2 0.349 4.308 3.960 -0.002 0.000 0.224 247 G HA3 0.349 4.308 3.960 -0.002 0.000 0.224 247 G C 0.171 175.044 174.900 -0.046 0.000 1.142 247 G CA -0.372 44.704 45.100 -0.040 0.000 0.759 247 G HN 0.306 nan 8.290 nan 0.000 0.550 248 L N 1.441 122.630 121.223 -0.058 0.000 2.397 248 L HA 0.276 4.615 4.340 -0.002 0.000 0.271 248 L C -2.032 174.793 176.870 -0.074 0.000 1.148 248 L CA -1.843 52.956 54.840 -0.068 0.000 0.825 248 L CB 0.836 42.844 42.059 -0.084 0.000 1.117 248 L HN -0.121 nan 8.230 nan 0.000 0.456 249 P HA -0.027 nan 4.420 nan 0.000 0.261 249 P C -0.190 177.058 177.300 -0.086 0.000 1.183 249 P CA 0.110 63.167 63.100 -0.072 0.000 0.761 249 P CB 0.429 32.087 31.700 -0.070 0.000 0.785 250 D N 2.879 123.229 120.400 -0.083 0.000 2.220 250 D HA -0.247 4.392 4.640 -0.002 0.000 0.198 250 D C 1.875 178.110 176.300 -0.109 0.000 1.001 250 D CA 2.015 55.959 54.000 -0.094 0.000 0.875 250 D CB -0.349 40.401 40.800 -0.083 0.000 0.921 250 D HN 0.412 nan 8.370 nan 0.000 0.454 251 A N 0.946 123.707 122.820 -0.100 0.000 1.930 251 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 251 A C 1.818 179.320 177.584 -0.136 0.000 1.175 251 A CA 1.212 53.186 52.037 -0.105 0.000 0.627 251 A CB -0.335 18.617 19.000 -0.081 0.000 0.815 251 A HN 0.254 nan 8.150 nan 0.000 0.443 252 M N -0.566 118.949 119.600 -0.142 0.000 2.626 252 M HA 0.317 4.796 4.480 -0.002 0.000 0.262 252 M C -0.366 175.800 176.300 -0.224 0.000 1.256 252 M CA 0.162 55.358 55.300 -0.173 0.000 0.981 252 M CB -0.634 31.878 32.600 -0.146 0.000 1.492 252 M HN 0.112 nan 8.290 nan 0.000 0.474 253 R N 1.060 121.420 120.500 -0.232 0.000 2.287 253 R HA 0.417 4.756 4.340 -0.002 0.000 0.327 253 R C 1.345 177.411 176.300 -0.390 0.000 1.109 253 R CA -0.188 55.748 56.100 -0.272 0.000 1.013 253 R CB 0.660 30.843 30.300 -0.196 0.000 1.126 253 R HN 0.443 nan 8.270 nan 0.000 0.503 254 G N 1.482 109.876 108.800 -0.677 0.000 2.421 254 G HA2 0.138 4.097 3.960 -0.002 0.000 0.217 254 G HA3 0.138 4.097 3.960 -0.002 0.000 0.217 254 G C 0.782 175.252 174.900 -0.717 0.000 1.143 254 G CA 0.710 45.115 45.100 -1.157 0.000 0.784 254 G HN 0.854 nan 8.290 nan 0.000 0.541 255 G N -0.755 107.771 108.800 -0.457 0.000 2.445 255 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.212 255 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.212 255 G C -0.362 174.549 174.900 0.018 0.000 1.217 255 G CA -0.410 44.603 45.100 -0.145 0.000 1.002 255 G HN 0.538 nan 8.290 nan 0.000 0.574 256 L N 1.387 122.658 121.223 0.079 0.000 2.349 256 L HA 0.342 4.681 4.340 -0.002 0.000 0.275 256 L C 2.327 179.294 176.870 0.162 0.000 1.115 256 L CA -0.058 54.827 54.840 0.074 0.000 0.820 256 L CB 1.501 43.566 42.059 0.011 0.000 1.135 256 L HN 0.974 nan 8.230 nan 0.000 0.445 257 V N 0.314 120.263 119.914 0.058 0.000 2.660 257 V HA -0.287 3.832 4.120 -0.002 0.000 0.257 257 V C 2.138 178.161 176.094 -0.119 0.000 1.088 257 V CA 1.773 64.017 62.300 -0.094 0.000 1.106 257 V CB -1.164 30.562 31.823 -0.160 0.000 0.686 257 V HN 1.099 nan 8.190 nan 0.000 0.481 258 Q N 3.415 123.179 119.800 -0.060 0.000 2.248 258 Q HA -0.280 4.059 4.340 -0.002 0.000 0.208 258 Q C 1.511 177.540 176.000 0.048 0.000 0.984 258 Q CA 2.408 58.198 55.803 -0.022 0.000 0.875 258 Q CB -0.769 27.965 28.738 -0.005 0.000 0.910 258 Q HN 0.884 nan 8.270 nan 0.000 0.433 259 N N -0.080 118.675 118.700 0.091 0.000 2.276 259 N HA 0.015 4.754 4.740 -0.002 0.000 0.212 259 N C 0.748 176.364 175.510 0.176 0.000 1.127 259 N CA -0.087 53.081 53.050 0.197 0.000 0.834 259 N CB 0.269 38.904 38.487 0.246 0.000 1.014 259 N HN 0.150 nan 8.380 nan 0.000 0.491 260 L N -0.205 120.915 121.223 -0.171 0.000 2.650 260 L HA 0.203 4.542 4.340 -0.002 0.000 0.235 260 L C 1.333 178.141 176.870 -0.102 0.000 1.149 260 L CA 0.388 54.872 54.840 -0.594 0.000 0.887 260 L CB -0.932 40.602 42.059 -0.876 0.000 1.021 260 L HN 0.275 nan 8.230 nan 0.000 0.441 261 Y N 0.150 120.459 120.300 0.014 0.000 2.109 261 Y HA -0.165 4.384 4.550 -0.001 0.000 0.281 261 Y C 2.379 178.367 175.900 0.146 0.000 1.113 261 Y CA 1.653 59.787 58.100 0.058 0.000 1.098 261 Y CB -0.451 38.038 38.460 0.049 0.000 0.996 261 Y HN 0.307 nan 8.280 nan 0.000 0.485 262 S N -0.227 115.574 115.700 0.169 0.000 2.906 262 S HA -0.009 4.460 4.470 -0.002 0.000 0.234 262 S C 1.133 175.791 174.600 0.096 0.000 0.973 262 S CA -0.201 58.010 58.200 0.018 0.000 1.036 262 S CB -1.771 61.508 63.200 0.132 0.000 0.798 262 S HN 0.430 nan 8.310 nan 0.000 0.498 263 F N 1.010 120.931 119.950 -0.048 0.000 2.748 263 F HA 0.189 4.715 4.527 -0.002 0.000 0.299 263 F C 2.449 178.243 175.800 -0.011 0.000 1.154 263 F CA 0.356 58.361 58.000 0.008 0.000 1.446 263 F CB -0.094 38.930 39.000 0.040 0.000 1.112 263 F HN 0.462 nan 8.300 nan 0.000 0.584 264 A N 0.066 122.925 122.820 0.065 0.000 1.897 264 A HA -0.184 4.135 4.320 -0.002 0.000 0.215 264 A C 2.049 179.627 177.584 -0.009 0.000 1.181 264 A CA 1.490 53.529 52.037 0.003 0.000 0.620 264 A CB -0.385 18.568 19.000 -0.078 0.000 0.821 264 A HN 0.238 nan 8.150 nan 0.000 0.443 265 K N 0.153 120.535 120.400 -0.030 0.000 2.365 265 K HA 0.180 4.499 4.320 -0.002 0.000 0.199 265 K C 1.011 177.598 176.600 -0.020 0.000 1.045 265 K CA 1.277 57.549 56.287 -0.026 0.000 0.962 265 K CB -0.229 32.253 32.500 -0.029 0.000 0.759 265 K HN 0.280 nan 8.250 nan 0.000 0.469 266 A N 0.230 123.034 122.820 -0.027 0.000 2.574 266 A HA 0.286 4.605 4.320 -0.002 0.000 0.283 266 A C 0.265 177.853 177.584 0.006 0.000 1.270 266 A CA 0.466 52.485 52.037 -0.031 0.000 0.945 266 A CB -0.256 18.691 19.000 -0.089 0.000 1.127 266 A HN 0.472 nan 8.150 nan 0.000 0.522 267 D N -1.855 118.560 120.400 0.025 0.000 2.554 267 D HA -0.279 4.360 4.640 -0.002 0.000 0.178 267 D C 1.095 177.451 176.300 0.093 0.000 1.054 267 D CA 1.953 55.979 54.000 0.044 0.000 1.052 267 D CB -1.393 39.427 40.800 0.033 0.000 1.112 267 D HN 0.724 nan 8.370 nan 0.000 0.448 268 A N 0.128 123.035 122.820 0.144 0.000 2.264 268 A HA 0.446 4.765 4.320 -0.002 0.000 0.207 268 A C 1.303 179.200 177.584 0.521 0.000 1.196 268 A CA 1.254 53.504 52.037 0.354 0.000 0.778 268 A CB -0.804 18.307 19.000 0.185 0.000 0.779 268 A HN 1.027 nan 8.150 nan 0.000 0.483 269 A N 1.303 124.285 122.820 0.270 0.000 2.550 269 A HA 0.365 4.684 4.320 -0.002 0.000 0.263 269 A C -2.149 175.508 177.584 0.122 0.000 1.065 269 A CA -0.601 51.542 52.037 0.176 0.000 0.786 269 A CB -0.546 18.501 19.000 0.078 0.000 0.985 269 A HN 0.319 nan 8.150 nan 0.000 0.518 270 P HA 0.010 nan 4.420 nan 0.000 0.265 270 P C 0.463 177.745 177.300 -0.030 0.000 1.193 270 P CA -0.003 63.135 63.100 0.062 0.000 0.765 270 P CB 0.730 32.459 31.700 0.048 0.000 0.823 271 D N 2.237 122.571 120.400 -0.110 0.000 2.084 271 D HA -0.048 4.591 4.640 -0.002 0.000 0.199 271 D C 0.031 176.311 176.300 -0.033 0.000 0.981 271 D CA 1.307 55.250 54.000 -0.096 0.000 0.841 271 D CB -0.018 40.684 40.800 -0.164 0.000 0.997 271 D HN 0.193 nan 8.370 nan 0.000 0.454 272 L N 0.785 122.000 121.223 -0.014 0.000 2.409 272 L HA 0.447 4.786 4.340 -0.002 0.000 0.272 272 L C -1.421 175.477 176.870 0.048 0.000 0.980 272 L CA -0.793 54.062 54.840 0.024 0.000 0.826 272 L CB 2.044 44.124 42.059 0.035 0.000 1.268 272 L HN -0.163 nan 8.230 nan 0.000 0.407 273 V N 6.669 126.608 119.914 0.041 0.000 2.370 273 V HA 0.507 4.626 4.120 -0.002 0.000 0.283 273 V C -0.892 175.226 176.094 0.040 0.000 1.023 273 V CA -0.605 61.715 62.300 0.034 0.000 0.857 273 V CB 1.593 33.410 31.823 -0.011 0.000 0.985 273 V HN 0.755 nan 8.190 nan 0.000 0.443 274 L N 8.400 129.657 121.223 0.057 0.000 2.288 274 L HA 0.566 4.905 4.340 -0.002 0.000 0.283 274 L C -0.034 176.849 176.870 0.023 0.000 1.072 274 L CA 0.163 55.037 54.840 0.056 0.000 0.862 274 L CB 0.822 42.942 42.059 0.102 0.000 1.245 274 L HN 0.712 nan 8.230 nan 0.000 0.432 275 M N 6.248 125.839 119.600 -0.016 0.000 2.146 275 M HA 0.299 4.778 4.480 -0.002 0.000 0.352 275 M C -0.686 175.589 176.300 -0.041 0.000 1.343 275 M CA 0.184 55.448 55.300 -0.061 0.000 1.115 275 M CB 0.643 33.161 32.600 -0.137 0.000 1.657 275 M HN 0.446 nan 8.290 nan 0.000 0.471 276 L N 3.610 124.811 121.223 -0.037 0.000 2.371 276 L HA 0.420 4.759 4.340 -0.002 0.000 0.262 276 L C 0.958 177.803 176.870 -0.041 0.000 1.054 276 L CA -0.349 54.471 54.840 -0.033 0.000 0.924 276 L CB 0.656 42.700 42.059 -0.024 0.000 1.295 276 L HN 1.121 nan 8.230 nan 0.000 0.441 277 G N 1.772 110.545 108.800 -0.044 0.000 2.179 277 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.260 277 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.260 277 G C 0.429 175.296 174.900 -0.054 0.000 0.977 277 G CA 0.154 45.228 45.100 -0.042 0.000 0.641 277 G HN 0.738 nan 8.290 nan 0.000 0.533 278 A N 0.281 123.054 122.820 -0.079 0.000 2.366 278 A HA 0.774 5.093 4.320 -0.002 0.000 0.272 278 A C 0.699 178.199 177.584 -0.140 0.000 1.135 278 A CA 0.022 51.996 52.037 -0.106 0.000 0.804 278 A CB 0.380 19.301 19.000 -0.133 0.000 1.064 278 A HN 0.516 nan 8.150 nan 0.000 0.499 279 R N 0.780 121.232 120.500 -0.081 0.000 2.596 279 R HA 0.453 4.792 4.340 -0.002 0.000 0.267 279 R C -1.217 175.011 176.300 -0.120 0.000 1.026 279 R CA -0.445 55.624 56.100 -0.053 0.000 1.087 279 R CB 0.959 31.304 30.300 0.075 0.000 1.132 279 R HN 0.661 nan 8.270 nan 0.000 0.531 280 F N 0.881 120.825 119.950 -0.010 0.000 2.471 280 F HA 0.370 4.896 4.527 -0.001 0.000 0.365 280 F C 1.200 176.945 175.800 -0.092 0.000 1.095 280 F CA 1.094 59.075 58.000 -0.032 0.000 1.174 280 F CB 1.163 40.153 39.000 -0.017 0.000 1.105 280 F HN 0.683 nan 8.300 nan 0.000 0.535 281 G N 2.175 110.990 108.800 0.026 0.000 2.399 281 G HA2 0.048 4.007 3.960 -0.002 0.000 0.256 281 G HA3 0.048 4.007 3.960 -0.002 0.000 0.256 281 G C -0.163 174.476 174.900 -0.434 0.000 1.236 281 G CA -0.582 44.351 45.100 -0.277 0.000 0.914 281 G HN 0.514 nan 8.290 nan 0.000 0.482 282 L N 0.811 121.793 121.223 -0.402 0.000 2.064 282 L HA -0.098 4.241 4.340 -0.002 0.000 0.216 282 L C 2.131 179.028 176.870 0.046 0.000 1.077 282 L CA 3.019 57.784 54.840 -0.125 0.000 0.766 282 L CB -0.482 41.731 42.059 0.256 0.000 0.890 282 L HN 0.524 nan 8.230 nan 0.000 0.435 283 N N -1.219 117.535 118.700 0.091 0.000 2.416 283 N HA -0.019 4.720 4.740 -0.002 0.000 0.177 283 N C 0.901 176.361 175.510 -0.083 0.000 1.036 283 N CA 1.308 54.335 53.050 -0.037 0.000 0.901 283 N CB -0.199 38.216 38.487 -0.119 0.000 0.976 283 N HN 0.608 nan 8.380 nan 0.000 0.444 284 T N -3.156 111.365 114.554 -0.055 0.000 3.355 284 T HA 0.456 4.805 4.350 -0.002 0.000 0.276 284 T C 0.900 175.608 174.700 0.013 0.000 1.003 284 T CA -0.173 61.883 62.100 -0.073 0.000 0.943 284 T CB 0.132 68.901 68.868 -0.165 0.000 1.158 284 T HN 0.194 nan 8.240 nan 0.000 0.513 285 G N 1.716 110.549 108.800 0.055 0.000 2.221 285 G HA2 -0.295 3.663 3.960 -0.002 0.000 0.265 285 G HA3 -0.295 3.663 3.960 -0.002 0.000 0.265 285 G C 0.348 175.394 174.900 0.243 0.000 1.041 285 G CA 0.703 45.893 45.100 0.149 0.000 0.807 285 G HN 0.971 nan 8.290 nan 0.000 0.502 286 H N -2.014 117.136 119.070 0.134 0.000 1.452 286 H HA -0.223 4.332 4.556 -0.002 0.000 0.090 286 H C 2.032 177.464 175.328 0.173 0.000 1.382 286 H CA 2.803 58.935 56.048 0.140 0.000 1.901 286 H CB -1.131 28.688 29.762 0.095 0.000 2.257 286 H HN 0.986 nan 8.280 nan 0.000 0.961 287 G N -1.105 107.866 108.800 0.285 0.000 3.088 287 G HA2 0.097 4.056 3.960 -0.002 0.000 0.217 287 G HA3 0.097 4.056 3.960 -0.002 0.000 0.217 287 G C 1.160 176.184 174.900 0.206 0.000 1.159 287 G CA 0.638 45.836 45.100 0.164 0.000 0.760 287 G HN 0.670 nan 8.290 nan 0.000 0.550 288 S N -0.006 115.808 115.700 0.190 0.000 2.547 288 S HA 0.201 4.670 4.470 -0.002 0.000 0.235 288 S C 2.024 176.670 174.600 0.077 0.000 0.980 288 S CA 0.831 59.129 58.200 0.163 0.000 0.941 288 S CB -0.439 62.842 63.200 0.135 0.000 0.763 288 S HN 1.336 nan 8.310 nan 0.000 0.532 289 G N 1.085 109.846 108.800 -0.064 0.000 2.233 289 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.270 289 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.270 289 G C 0.530 175.293 174.900 -0.228 0.000 1.011 289 G CA 0.748 45.600 45.100 -0.413 0.000 0.762 289 G HN 0.618 nan 8.290 nan 0.000 0.511 290 Q N -1.365 118.411 119.800 -0.041 0.000 2.389 290 Q HA 0.278 4.617 4.340 -0.002 0.000 0.204 290 Q C 2.403 178.406 176.000 0.004 0.000 0.944 290 Q CA 0.486 56.289 55.803 0.000 0.000 0.908 290 Q CB 0.045 28.859 28.738 0.126 0.000 1.002 290 Q HN 0.500 nan 8.270 nan 0.000 0.493 291 L N -0.354 120.869 121.223 0.000 0.000 2.347 291 L HA 0.158 4.497 4.340 -0.002 0.000 0.196 291 L C 0.650 177.445 176.870 -0.126 0.000 1.072 291 L CA 0.686 55.491 54.840 -0.058 0.000 0.817 291 L CB -0.033 41.999 42.059 -0.045 0.000 1.029 291 L HN 0.153 nan 8.230 nan 0.000 0.478 292 I N 3.459 123.981 120.570 -0.079 0.000 2.282 292 I HA 0.218 4.387 4.170 -0.002 0.000 0.290 292 I C -2.159 173.916 176.117 -0.071 0.000 1.090 292 I CA -2.340 58.927 61.300 -0.055 0.000 1.231 292 I CB 0.251 38.273 38.000 0.037 0.000 1.434 292 I HN -0.064 nan 8.210 nan 0.000 0.487 293 P HA 0.089 nan 4.420 nan 0.000 0.268 293 P C 0.601 177.872 177.300 -0.048 0.000 1.204 293 P CA 0.147 63.190 63.100 -0.096 0.000 0.768 293 P CB 0.590 32.270 31.700 -0.032 0.000 0.842 294 H N 1.026 120.118 119.070 0.036 0.000 2.457 294 H HA -0.114 4.442 4.556 -0.001 0.000 0.297 294 H C 1.714 177.053 175.328 0.018 0.000 1.092 294 H CA 1.925 57.987 56.048 0.024 0.000 1.309 294 H CB -0.017 29.752 29.762 0.010 0.000 1.382 294 H HN 0.465 nan 8.280 nan 0.000 0.535 295 S N -0.304 115.469 115.700 0.122 0.000 2.577 295 S HA 0.401 4.870 4.470 -0.002 0.000 0.219 295 S C 0.825 175.452 174.600 0.046 0.000 0.962 295 S CA -0.221 58.022 58.200 0.071 0.000 0.921 295 S CB 0.459 63.691 63.200 0.053 0.000 0.789 295 S HN 0.371 nan 8.310 nan 0.000 0.497 296 A N 1.336 124.184 122.820 0.047 0.000 2.310 296 A HA 0.534 4.853 4.320 -0.002 0.000 0.299 296 A C 0.065 177.677 177.584 0.047 0.000 1.147 296 A CA -0.654 51.403 52.037 0.033 0.000 0.818 296 A CB 0.465 19.479 19.000 0.023 0.000 1.096 296 A HN 0.484 nan 8.150 nan 0.000 0.495 297 Q N 0.649 120.472 119.800 0.037 0.000 2.304 297 Q HA 0.421 4.760 4.340 -0.002 0.000 0.260 297 Q C -0.895 175.139 176.000 0.057 0.000 0.965 297 Q CA -0.075 55.755 55.803 0.045 0.000 0.898 297 Q CB 1.196 29.955 28.738 0.035 0.000 1.196 297 Q HN 0.519 nan 8.270 nan 0.000 0.402 298 V N 4.866 124.825 119.914 0.074 0.000 2.459 298 V HA 0.455 4.574 4.120 -0.002 0.000 0.295 298 V C -0.209 175.930 176.094 0.076 0.000 1.029 298 V CA -0.673 61.678 62.300 0.086 0.000 0.874 298 V CB 1.544 33.456 31.823 0.149 0.000 0.985 298 V HN 0.622 nan 8.190 nan 0.000 0.438 299 I N 4.209 124.816 120.570 0.061 0.000 2.354 299 I HA 0.458 4.627 4.170 -0.002 0.000 0.286 299 I C -0.164 175.976 176.117 0.039 0.000 1.007 299 I CA -0.171 61.161 61.300 0.053 0.000 1.167 299 I CB 1.384 39.417 38.000 0.056 0.000 1.320 299 I HN 0.607 nan 8.210 nan 0.000 0.458 300 Q N 5.500 125.326 119.800 0.043 0.000 2.333 300 Q HA 0.575 4.914 4.340 -0.002 0.000 0.265 300 Q C -1.496 174.514 176.000 0.017 0.000 0.989 300 Q CA -0.650 55.169 55.803 0.026 0.000 0.842 300 Q CB 2.594 31.368 28.738 0.061 0.000 1.262 300 Q HN 0.492 nan 8.270 nan 0.000 0.451 301 V N 4.402 124.314 119.914 -0.003 0.000 2.378 301 V HA 0.466 4.585 4.120 -0.002 0.000 0.288 301 V C -0.528 175.559 176.094 -0.013 0.000 1.016 301 V CA -0.513 61.782 62.300 -0.008 0.000 0.840 301 V CB 1.618 33.428 31.823 -0.021 0.000 0.994 301 V HN 0.765 nan 8.190 nan 0.000 0.431 302 D N 5.274 125.671 120.400 -0.005 0.000 2.927 302 D HA 0.341 4.980 4.640 -0.002 0.000 0.219 302 D C -2.400 173.898 176.300 -0.004 0.000 1.248 302 D CA -1.321 52.675 54.000 -0.007 0.000 0.861 302 D CB 3.750 44.550 40.800 0.000 0.000 1.677 302 D HN 0.149 nan 8.370 nan 0.000 0.511 303 P HA -0.003 nan 4.420 nan 0.000 0.222 303 P C -0.220 177.080 177.300 0.001 0.000 1.147 303 P CA 0.860 63.957 63.100 -0.005 0.000 0.790 303 P CB 0.281 31.976 31.700 -0.008 0.000 0.780 304 D N -1.172 119.228 120.400 -0.000 0.000 2.344 304 D HA 0.392 5.031 4.640 -0.002 0.000 0.239 304 D C 0.969 177.277 176.300 0.014 0.000 1.064 304 D CA -0.803 53.201 54.000 0.006 0.000 0.829 304 D CB 1.222 42.019 40.800 -0.004 0.000 1.129 304 D HN -0.167 nan 8.370 nan 0.000 0.506 305 A N 2.915 125.746 122.820 0.019 0.000 2.070 305 A HA -0.122 4.197 4.320 -0.002 0.000 0.220 305 A C 2.271 179.872 177.584 0.028 0.000 1.159 305 A CA 0.885 52.936 52.037 0.023 0.000 0.656 305 A CB -0.710 18.303 19.000 0.021 0.000 0.800 305 A HN 0.775 nan 8.150 nan 0.000 0.453 306 C N -0.136 119.179 119.300 0.026 0.000 2.411 306 C HA -0.087 4.372 4.460 -0.002 0.000 0.279 306 C C 2.461 177.471 174.990 0.034 0.000 1.288 306 C CA 1.220 60.254 59.018 0.027 0.000 1.764 306 C CB -0.917 26.838 27.740 0.026 0.000 1.974 306 C HN 0.593 nan 8.230 nan 0.000 0.498 307 E N 0.180 120.403 120.200 0.038 0.000 2.285 307 E HA 0.044 4.393 4.350 -0.002 0.000 0.194 307 E C 0.405 177.072 176.600 0.113 0.000 0.997 307 E CA 0.289 56.728 56.400 0.065 0.000 0.845 307 E CB -0.270 29.455 29.700 0.040 0.000 0.782 307 E HN 0.427 nan 8.360 nan 0.000 0.491 308 L N 1.441 122.714 121.223 0.083 0.000 2.704 308 L HA 0.095 4.434 4.340 -0.002 0.000 0.279 308 L C 1.119 178.057 176.870 0.113 0.000 1.147 308 L CA 0.786 55.685 54.840 0.098 0.000 0.994 308 L CB -0.802 41.293 42.059 0.060 0.000 1.332 308 L HN 0.218 nan 8.230 nan 0.000 0.471 309 G N 3.302 112.229 108.800 0.211 0.000 2.350 309 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.298 309 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.298 309 G C 1.209 176.079 174.900 -0.051 0.000 1.037 309 G CA 0.799 45.968 45.100 0.116 0.000 1.074 309 G HN 0.830 nan 8.290 nan 0.000 0.511 310 R N -0.994 119.509 120.500 0.006 0.000 2.148 310 R HA 0.292 4.631 4.340 -0.002 0.000 0.223 310 R C 1.960 178.171 176.300 -0.147 0.000 1.088 310 R CA 1.659 57.736 56.100 -0.038 0.000 0.985 310 R CB -0.094 30.228 30.300 0.037 0.000 0.880 310 R HN 0.505 nan 8.270 nan 0.000 0.451 311 L N -1.002 119.994 121.223 -0.378 0.000 2.717 311 L HA 0.309 4.648 4.340 -0.002 0.000 0.239 311 L C 0.282 176.891 176.870 -0.435 0.000 1.086 311 L CA -0.101 54.528 54.840 -0.352 0.000 0.897 311 L CB 0.521 42.439 42.059 -0.235 0.000 1.214 311 L HN 0.157 nan 8.230 nan 0.000 0.508 312 Q N -0.307 119.055 119.800 -0.730 0.000 2.397 312 Q HA 0.454 4.793 4.340 -0.002 0.000 0.275 312 Q C -0.208 175.640 176.000 -0.254 0.000 1.090 312 Q CA -0.657 54.897 55.803 -0.415 0.000 0.809 312 Q CB 2.445 30.945 28.738 -0.397 0.000 1.362 312 Q HN 0.107 nan 8.270 nan 0.000 0.431 313 G N 2.290 111.029 108.800 -0.101 0.000 2.367 313 G HA2 0.381 4.340 3.960 -0.002 0.000 0.280 313 G HA3 0.381 4.340 3.960 -0.002 0.000 0.280 313 G C 0.064 174.968 174.900 0.008 0.000 1.175 313 G CA -0.076 44.999 45.100 -0.042 0.000 1.001 313 G HN 0.537 nan 8.290 nan 0.000 0.437 314 I N 0.495 121.084 120.570 0.031 0.000 3.062 314 I HA 0.803 4.972 4.170 -0.002 0.000 0.318 314 I C 1.069 177.220 176.117 0.056 0.000 1.026 314 I CA -1.020 60.327 61.300 0.079 0.000 1.096 314 I CB 1.936 40.017 38.000 0.135 0.000 1.348 314 I HN 0.344 nan 8.210 nan 0.000 0.543 315 A N 2.371 125.227 122.820 0.061 0.000 1.909 315 A HA 0.383 4.702 4.320 -0.002 0.000 0.209 315 A C 0.588 178.197 177.584 0.041 0.000 1.247 315 A CA 0.542 52.606 52.037 0.045 0.000 0.660 315 A CB -0.144 18.883 19.000 0.044 0.000 0.910 315 A HN 0.624 nan 8.150 nan 0.000 0.465 316 L N 0.009 121.261 121.223 0.047 0.000 2.349 316 L HA 0.711 5.050 4.340 -0.002 0.000 0.278 316 L C -0.191 176.705 176.870 0.044 0.000 0.996 316 L CA -0.220 54.644 54.840 0.041 0.000 0.825 316 L CB 1.529 43.611 42.059 0.039 0.000 1.243 316 L HN 0.140 nan 8.230 nan 0.000 0.412 317 G N 6.605 115.428 108.800 0.038 0.000 2.716 317 G HA2 0.539 4.498 3.960 -0.002 0.000 0.333 317 G HA3 0.539 4.498 3.960 -0.002 0.000 0.333 317 G C -0.638 174.279 174.900 0.028 0.000 1.168 317 G CA -0.307 44.816 45.100 0.039 0.000 1.064 317 G HN 0.555 nan 8.290 nan 0.000 0.479 318 I N 1.584 122.168 120.570 0.023 0.000 2.428 318 I HA 0.357 4.526 4.170 -0.002 0.000 0.296 318 I C -0.211 175.912 176.117 0.010 0.000 0.985 318 I CA -1.043 60.265 61.300 0.013 0.000 1.260 318 I CB 2.304 40.308 38.000 0.007 0.000 1.389 318 I HN 0.160 nan 8.210 nan 0.000 0.484 319 V N 6.684 126.602 119.914 0.007 0.000 2.284 319 V HA 0.866 4.985 4.120 -0.002 0.000 0.274 319 V C -0.267 175.827 176.094 -0.001 0.000 1.023 319 V CA 0.165 62.468 62.300 0.005 0.000 0.808 319 V CB 0.569 32.397 31.823 0.008 0.000 1.035 319 V HN 0.897 nan 8.190 nan 0.000 0.445 320 A N 4.356 127.173 122.820 -0.006 0.000 2.533 320 A HA 0.715 5.034 4.320 -0.002 0.000 0.293 320 A C -1.109 176.468 177.584 -0.012 0.000 1.228 320 A CA -0.636 51.396 52.037 -0.009 0.000 0.689 320 A CB 1.410 20.402 19.000 -0.014 0.000 1.303 320 A HN 0.782 nan 8.150 nan 0.000 0.444 321 D N -0.423 119.970 120.400 -0.012 0.000 2.351 321 D HA 0.359 4.998 4.640 -0.002 0.000 0.251 321 D C 1.155 177.441 176.300 -0.023 0.000 1.137 321 D CA 0.077 54.068 54.000 -0.014 0.000 0.879 321 D CB 1.158 41.954 40.800 -0.007 0.000 1.181 321 D HN 0.176 nan 8.370 nan 0.000 0.448 322 V N 4.132 124.030 119.914 -0.026 0.000 2.324 322 V HA -0.171 3.948 4.120 -0.002 0.000 0.250 322 V C 2.317 178.386 176.094 -0.041 0.000 1.060 322 V CA 2.301 64.579 62.300 -0.036 0.000 1.042 322 V CB -1.001 30.803 31.823 -0.033 0.000 0.650 322 V HN 0.819 nan 8.190 nan 0.000 0.450 323 G N 0.075 108.858 108.800 -0.028 0.000 2.433 323 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.216 323 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.216 323 G C 1.649 176.535 174.900 -0.023 0.000 1.186 323 G CA 0.933 46.019 45.100 -0.022 0.000 0.779 323 G HN 0.590 nan 8.290 nan 0.000 0.543 324 G N -0.021 108.771 108.800 -0.013 0.000 2.422 324 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.218 324 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.218 324 G C 1.846 176.716 174.900 -0.049 0.000 1.146 324 G CA 1.771 46.862 45.100 -0.014 0.000 0.769 324 G HN 0.401 nan 8.290 nan 0.000 0.547 325 T N 1.245 115.762 114.554 -0.062 0.000 2.746 325 T HA -0.035 4.314 4.350 -0.002 0.000 0.267 325 T C 2.365 176.966 174.700 -0.165 0.000 1.039 325 T CA 0.884 62.926 62.100 -0.097 0.000 1.142 325 T CB -0.133 68.684 68.868 -0.084 0.000 0.866 325 T HN 0.247 nan 8.240 nan 0.000 0.444 326 I N 0.620 121.097 120.570 -0.155 0.000 2.286 326 I HA -0.146 4.023 4.170 -0.002 0.000 0.248 326 I C 2.700 178.705 176.117 -0.187 0.000 1.115 326 I CA 1.220 62.393 61.300 -0.212 0.000 1.392 326 I CB -0.250 37.679 38.000 -0.118 0.000 1.065 326 I HN 0.207 nan 8.210 nan 0.000 0.418 327 E N 1.042 121.179 120.200 -0.106 0.000 2.077 327 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 327 E C 2.174 178.723 176.600 -0.085 0.000 0.989 327 E CA 1.477 57.835 56.400 -0.070 0.000 0.800 327 E CB -0.118 29.562 29.700 -0.034 0.000 0.746 327 E HN 0.444 nan 8.360 nan 0.000 0.452 328 A N -0.067 122.692 122.820 -0.100 0.000 1.969 328 A HA -0.100 4.219 4.320 -0.002 0.000 0.218 328 A C 2.115 179.630 177.584 -0.115 0.000 1.169 328 A CA 0.961 52.945 52.037 -0.087 0.000 0.635 328 A CB -0.451 18.504 19.000 -0.075 0.000 0.810 328 A HN 0.283 nan 8.150 nan 0.000 0.445 329 L N -1.137 119.940 121.223 -0.243 0.000 2.095 329 L HA -0.068 4.271 4.340 -0.002 0.000 0.204 329 L C 3.017 179.789 176.870 -0.164 0.000 1.080 329 L CA 0.884 55.488 54.840 -0.394 0.000 0.759 329 L CB -0.385 40.998 42.059 -1.127 0.000 0.914 329 L HN 0.394 nan 8.230 nan 0.000 0.439 330 A N -0.733 122.018 122.820 -0.114 0.000 1.969 330 A HA -0.223 4.096 4.320 -0.002 0.000 0.218 330 A C 2.261 179.876 177.584 0.052 0.000 1.169 330 A CA 1.426 53.498 52.037 0.058 0.000 0.635 330 A CB -0.438 18.584 19.000 0.038 0.000 0.810 330 A HN 0.442 nan 8.150 nan 0.000 0.445 331 Q N 0.031 119.839 119.800 0.013 0.000 2.049 331 Q HA -0.085 4.254 4.340 -0.002 0.000 0.198 331 Q C 2.136 178.166 176.000 0.049 0.000 0.971 331 Q CA 1.793 57.609 55.803 0.020 0.000 0.833 331 Q CB -0.377 28.358 28.738 -0.005 0.000 0.896 331 Q HN 0.519 nan 8.270 nan 0.000 0.434 332 A N -0.117 122.740 122.820 0.062 0.000 1.968 332 A HA -0.075 4.244 4.320 -0.002 0.000 0.217 332 A C 2.198 179.886 177.584 0.174 0.000 1.169 332 A CA 1.708 53.807 52.037 0.103 0.000 0.638 332 A CB -0.838 18.224 19.000 0.102 0.000 0.812 332 A HN 0.450 nan 8.150 nan 0.000 0.446 333 T N -0.634 114.041 114.554 0.201 0.000 3.072 333 T HA 0.200 4.549 4.350 -0.002 0.000 0.266 333 T C 1.818 176.622 174.700 0.172 0.000 1.127 333 T CA 1.164 63.410 62.100 0.242 0.000 1.107 333 T CB -0.430 68.566 68.868 0.213 0.000 0.910 333 T HN 0.506 nan 8.240 nan 0.000 0.513 334 A N 1.860 124.755 122.820 0.125 0.000 1.841 334 A HA -0.114 4.205 4.320 -0.002 0.000 0.214 334 A C 2.365 180.005 177.584 0.094 0.000 1.195 334 A CA 1.648 53.738 52.037 0.088 0.000 0.611 334 A CB -0.538 18.499 19.000 0.061 0.000 0.835 334 A HN 0.640 nan 8.150 nan 0.000 0.443 335 Q N -0.357 119.500 119.800 0.095 0.000 2.212 335 Q HA -0.092 4.247 4.340 -0.002 0.000 0.199 335 Q C -0.184 175.880 176.000 0.107 0.000 0.950 335 Q CA 1.298 57.151 55.803 0.083 0.000 0.863 335 Q CB -0.708 28.066 28.738 0.060 0.000 0.944 335 Q HN 0.435 nan 8.270 nan 0.000 0.465 336 D N 1.619 122.114 120.400 0.158 0.000 2.597 336 D HA 0.225 4.864 4.640 -0.002 0.000 0.228 336 D C -0.523 175.971 176.300 0.323 0.000 1.120 336 D CA 0.034 54.154 54.000 0.199 0.000 1.083 336 D CB -0.059 40.896 40.800 0.259 0.000 1.116 336 D HN 0.335 nan 8.370 nan 0.000 0.487 337 A N 1.912 124.859 122.820 0.211 0.000 2.833 337 A HA 0.557 4.876 4.320 -0.002 0.000 0.293 337 A C 0.495 178.200 177.584 0.202 0.000 1.338 337 A CA -0.346 51.831 52.037 0.233 0.000 0.959 337 A CB 0.105 19.183 19.000 0.129 0.000 1.094 337 A HN 0.370 nan 8.150 nan 0.000 0.569 338 A N -0.148 122.776 122.820 0.174 0.000 2.763 338 A HA 0.585 4.904 4.320 -0.002 0.000 0.325 338 A C -1.267 176.300 177.584 -0.029 0.000 1.209 338 A CA -0.267 51.808 52.037 0.064 0.000 0.764 338 A CB 0.031 19.020 19.000 -0.019 0.000 1.120 338 A HN 0.463 nan 8.150 nan 0.000 0.463 339 W N 1.649 122.947 121.300 -0.005 0.000 2.689 339 W HA 0.611 5.269 4.660 -0.002 0.000 0.340 339 W C -2.086 174.429 176.519 -0.006 0.000 1.060 339 W CA -1.685 55.655 57.345 -0.008 0.000 1.218 339 W CB 0.858 30.306 29.460 -0.021 0.000 1.410 339 W HN 0.451 nan 8.180 nan 0.000 0.528 340 P HA 0.007 nan 4.420 nan 0.000 0.269 340 P C -0.703 176.673 177.300 0.128 0.000 1.211 340 P CA -0.029 63.145 63.100 0.122 0.000 0.781 340 P CB 0.469 32.234 31.700 0.108 0.000 0.877 341 D N 1.742 122.192 120.400 0.084 0.000 2.349 341 D HA 0.045 4.684 4.640 -0.002 0.000 0.266 341 D C 0.178 176.532 176.300 0.090 0.000 1.293 341 D CA -0.058 53.987 54.000 0.075 0.000 0.926 341 D CB 0.070 40.902 40.800 0.054 0.000 1.090 341 D HN 0.108 nan 8.370 nan 0.000 0.502 342 R N 2.386 122.945 120.500 0.099 0.000 2.776 342 R HA 0.263 4.602 4.340 -0.002 0.000 0.391 342 R C 1.287 177.656 176.300 0.115 0.000 1.116 342 R CA -0.339 55.840 56.100 0.132 0.000 1.056 342 R CB 0.943 31.329 30.300 0.142 0.000 1.369 342 R HN 0.605 nan 8.270 nan 0.000 0.590 343 G N 0.220 109.073 108.800 0.088 0.000 2.426 343 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.214 343 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.214 343 G C 0.506 175.450 174.900 0.074 0.000 1.156 343 G CA 0.313 45.449 45.100 0.061 0.000 0.802 343 G HN 0.202 nan 8.290 nan 0.000 0.534 344 D N -1.552 118.916 120.400 0.114 0.000 2.388 344 D HA 0.121 4.760 4.640 -0.002 0.000 0.221 344 D C 1.117 177.560 176.300 0.239 0.000 1.133 344 D CA -0.422 53.654 54.000 0.126 0.000 0.831 344 D CB 0.073 40.932 40.800 0.099 0.000 0.962 344 D HN 0.534 nan 8.370 nan 0.000 0.502 345 W N -0.349 120.972 121.300 0.034 0.000 2.792 345 W HA -0.023 4.636 4.660 -0.001 0.000 0.262 345 W C 0.985 177.544 176.519 0.066 0.000 1.212 345 W CA -0.073 57.307 57.345 0.059 0.000 1.433 345 W CB 0.058 29.560 29.460 0.071 0.000 1.004 345 W HN -0.020 nan 8.180 nan 0.000 0.608 346 C N 1.262 120.535 119.300 -0.046 0.000 2.429 346 C HA -0.128 4.331 4.460 -0.002 0.000 0.277 346 C C 3.136 178.026 174.990 -0.167 0.000 1.262 346 C CA 1.952 60.867 59.018 -0.172 0.000 1.733 346 C CB -1.446 26.245 27.740 -0.082 0.000 2.010 346 C HN 0.464 nan 8.230 nan 0.000 0.483 347 A N 0.298 123.069 122.820 -0.081 0.000 1.933 347 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 347 A C 2.064 179.589 177.584 -0.098 0.000 1.175 347 A CA 2.245 54.241 52.037 -0.069 0.000 0.628 347 A CB -0.471 18.515 19.000 -0.022 0.000 0.814 347 A HN 0.584 nan 8.150 nan 0.000 0.444 348 K N -0.319 120.014 120.400 -0.111 0.000 2.025 348 K HA -0.045 4.274 4.320 -0.002 0.000 0.207 348 K C 1.717 178.152 176.600 -0.274 0.000 1.049 348 K CA 1.681 57.879 56.287 -0.149 0.000 0.933 348 K CB -0.533 31.951 32.500 -0.026 0.000 0.714 348 K HN 0.160 nan 8.250 nan 0.000 0.438 349 V N 0.597 120.280 119.914 -0.384 0.000 2.295 349 V HA -0.266 3.853 4.120 -0.002 0.000 0.246 349 V C 2.058 178.097 176.094 -0.092 0.000 1.049 349 V CA 2.372 64.560 62.300 -0.186 0.000 1.024 349 V CB -0.699 30.929 31.823 -0.325 0.000 0.648 349 V HN 0.482 nan 8.190 nan 0.000 0.447 350 T N -0.273 114.191 114.554 -0.151 0.000 2.684 350 T HA -0.213 4.136 4.350 -0.002 0.000 0.267 350 T C 1.584 176.240 174.700 -0.073 0.000 1.036 350 T CA 1.944 63.977 62.100 -0.112 0.000 1.148 350 T CB -0.389 68.410 68.868 -0.116 0.000 0.863 350 T HN 0.486 nan 8.240 nan 0.000 0.436 351 D N 0.575 120.926 120.400 -0.082 0.000 2.183 351 D HA 0.084 4.723 4.640 -0.002 0.000 0.203 351 D C 2.004 178.270 176.300 -0.057 0.000 0.969 351 D CA 0.422 54.386 54.000 -0.060 0.000 0.842 351 D CB -0.252 40.513 40.800 -0.059 0.000 0.957 351 D HN 0.272 nan 8.370 nan 0.000 0.484 352 L N 0.172 121.333 121.223 -0.103 0.000 2.109 352 L HA -0.037 4.302 4.340 -0.002 0.000 0.207 352 L C 2.321 179.205 176.870 0.024 0.000 1.086 352 L CA 0.900 55.671 54.840 -0.115 0.000 0.760 352 L CB -0.254 41.575 42.059 -0.383 0.000 0.910 352 L HN 0.017 nan 8.230 nan 0.000 0.437 353 A N -0.520 122.347 122.820 0.078 0.000 1.929 353 A HA -0.240 4.079 4.320 -0.002 0.000 0.216 353 A C 2.170 179.820 177.584 0.110 0.000 1.176 353 A CA 1.531 53.644 52.037 0.128 0.000 0.628 353 A CB -0.401 18.667 19.000 0.113 0.000 0.816 353 A HN 0.391 nan 8.150 nan 0.000 0.444 354 Q N 0.393 120.228 119.800 0.058 0.000 2.124 354 Q HA -0.162 4.177 4.340 -0.002 0.000 0.202 354 Q C 1.784 177.864 176.000 0.133 0.000 0.977 354 Q CA 2.194 58.044 55.803 0.078 0.000 0.850 354 Q CB -0.382 28.368 28.738 0.021 0.000 0.901 354 Q HN 0.728 nan 8.270 nan 0.000 0.429 355 E N -0.130 120.118 120.200 0.079 0.000 2.023 355 E HA -0.222 4.127 4.350 -0.002 0.000 0.196 355 E C 2.072 178.724 176.600 0.086 0.000 1.003 355 E CA 1.056 57.495 56.400 0.064 0.000 0.809 355 E CB -0.236 29.476 29.700 0.021 0.000 0.755 355 E HN 0.283 nan 8.360 nan 0.000 0.449 356 R N 0.066 120.628 120.500 0.103 0.000 2.105 356 R HA -0.211 4.128 4.340 -0.002 0.000 0.239 356 R C 2.263 178.629 176.300 0.109 0.000 1.135 356 R CA 1.465 57.626 56.100 0.101 0.000 0.967 356 R CB -0.409 29.971 30.300 0.133 0.000 0.861 356 R HN 0.263 nan 8.270 nan 0.000 0.442 357 Y N 0.495 120.832 120.300 0.061 0.000 2.070 357 Y HA -0.221 4.328 4.550 -0.002 0.000 0.279 357 Y C 2.259 178.204 175.900 0.075 0.000 1.134 357 Y CA 2.068 60.227 58.100 0.098 0.000 1.113 357 Y CB -0.661 37.870 38.460 0.118 0.000 0.981 357 Y HN 0.144 nan 8.280 nan 0.000 0.487 358 A N -0.832 122.080 122.820 0.153 0.000 1.940 358 A HA -0.245 4.074 4.320 -0.002 0.000 0.219 358 A C 2.483 180.029 177.584 -0.063 0.000 1.176 358 A CA 2.087 54.151 52.037 0.045 0.000 0.631 358 A CB -1.471 17.601 19.000 0.120 0.000 0.814 358 A HN 0.569 nan 8.150 nan 0.000 0.446 359 S N -0.693 114.978 115.700 -0.048 0.000 2.370 359 S HA -0.135 4.334 4.470 -0.002 0.000 0.226 359 S C 1.834 176.341 174.600 -0.154 0.000 1.033 359 S CA 1.573 59.731 58.200 -0.070 0.000 1.011 359 S CB -0.347 62.834 63.200 -0.031 0.000 0.852 359 S HN 0.373 nan 8.310 nan 0.000 0.457 360 I N 1.771 122.183 120.570 -0.263 0.000 2.500 360 I HA 0.080 4.249 4.170 -0.002 0.000 0.252 360 I C 2.743 178.436 176.117 -0.707 0.000 1.142 360 I CA 0.954 61.985 61.300 -0.450 0.000 1.451 360 I CB -1.743 35.957 38.000 -0.499 0.000 1.093 360 I HN 0.382 nan 8.210 nan 0.000 0.430 361 A N 0.769 123.210 122.820 -0.632 0.000 1.933 361 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 361 A C 2.510 180.010 177.584 -0.141 0.000 1.175 361 A CA 1.775 53.630 52.037 -0.305 0.000 0.628 361 A CB -0.587 18.379 19.000 -0.057 0.000 0.814 361 A HN 0.385 nan 8.150 nan 0.000 0.444 362 A N -0.266 122.473 122.820 -0.135 0.000 1.968 362 A HA -0.054 4.265 4.320 -0.002 0.000 0.217 362 A C 1.864 179.402 177.584 -0.078 0.000 1.169 362 A CA 1.481 53.477 52.037 -0.068 0.000 0.638 362 A CB -0.258 18.713 19.000 -0.048 0.000 0.812 362 A HN 0.506 nan 8.150 nan 0.000 0.446 363 K N -0.061 120.260 120.400 -0.132 0.000 2.437 363 K HA 0.156 4.475 4.320 -0.002 0.000 0.198 363 K C 0.105 176.620 176.600 -0.141 0.000 1.024 363 K CA 0.124 56.353 56.287 -0.097 0.000 1.148 363 K CB 0.287 32.743 32.500 -0.073 0.000 0.860 363 K HN 0.212 nan 8.250 nan 0.000 0.515 364 S N 1.024 116.578 115.700 -0.243 0.000 2.532 364 S HA 0.285 4.754 4.470 -0.002 0.000 0.318 364 S C -0.747 173.742 174.600 -0.186 0.000 1.083 364 S CA -0.574 57.321 58.200 -0.508 0.000 1.131 364 S CB 0.587 63.287 63.200 -0.832 0.000 0.973 364 S HN 0.033 nan 8.310 nan 0.000 0.468 365 S N 2.882 118.575 115.700 -0.011 0.000 2.489 365 S HA 0.404 4.873 4.470 -0.002 0.000 0.291 365 S C 0.589 175.331 174.600 0.236 0.000 1.151 365 S CA -0.573 57.713 58.200 0.143 0.000 1.082 365 S CB 1.683 64.953 63.200 0.116 0.000 1.019 365 S HN 0.653 nan 8.310 nan 0.000 0.492 366 S N 1.606 117.455 115.700 0.248 0.000 2.663 366 S HA 0.172 4.641 4.470 -0.002 0.000 0.243 366 S C 0.162 174.822 174.600 0.100 0.000 1.009 366 S CA -0.405 57.935 58.200 0.233 0.000 0.988 366 S CB -0.005 63.397 63.200 0.337 0.000 0.896 366 S HN 0.757 nan 8.310 nan 0.000 0.502 367 E N 0.386 120.624 120.200 0.064 0.000 2.316 367 E HA 0.207 4.556 4.350 -0.002 0.000 0.275 367 E C 0.268 176.867 176.600 -0.003 0.000 1.029 367 E CA 0.183 56.544 56.400 -0.065 0.000 0.871 367 E CB 0.232 29.878 29.700 -0.090 0.000 1.022 367 E HN 0.615 nan 8.360 nan 0.000 0.418 368 H N 0.458 119.547 119.070 0.031 0.000 4.668 368 H HA -0.259 4.296 4.556 -0.002 0.000 0.095 368 H C -0.686 174.652 175.328 0.017 0.000 0.599 368 H CA 1.340 57.401 56.048 0.022 0.000 1.148 368 H CB -0.954 28.820 29.762 0.021 0.000 0.502 368 H HN 0.503 nan 8.280 nan 0.000 0.702 369 A N 0.424 123.314 122.820 0.117 0.000 2.488 369 A HA 0.588 4.907 4.320 -0.002 0.000 0.298 369 A C -1.054 176.556 177.584 0.043 0.000 1.044 369 A CA -0.576 51.496 52.037 0.057 0.000 0.693 369 A CB 1.412 20.434 19.000 0.038 0.000 1.272 369 A HN 0.295 nan 8.150 nan 0.000 0.402 370 L N 3.289 124.524 121.223 0.019 0.000 2.477 370 L HA 0.217 4.556 4.340 -0.002 0.000 0.272 370 L C 0.362 177.232 176.870 -0.001 0.000 1.157 370 L CA 0.347 55.210 54.840 0.039 0.000 0.889 370 L CB -0.107 41.956 42.059 0.008 0.000 1.158 370 L HN 0.751 nan 8.230 nan 0.000 0.473 371 H N 7.203 126.250 119.070 -0.039 0.000 2.764 371 H HA 0.149 4.704 4.556 -0.002 0.000 0.341 371 H C -1.842 173.307 175.328 -0.299 0.000 1.072 371 H CA -1.396 54.520 56.048 -0.221 0.000 1.444 371 H CB 1.479 31.018 29.762 -0.371 0.000 1.458 371 H HN 0.546 nan 8.280 nan 0.000 0.572 372 P HA -0.181 nan 4.420 nan 0.000 0.217 372 P C 1.454 178.578 177.300 -0.294 0.000 1.148 372 P CA 1.119 63.952 63.100 -0.447 0.000 0.828 372 P CB -0.143 31.011 31.700 -0.910 0.000 0.783 373 F N -0.618 119.045 119.950 -0.478 0.000 2.186 373 F HA -0.203 4.323 4.527 -0.001 0.000 0.299 373 F C 2.213 177.954 175.800 -0.100 0.000 1.090 373 F CA 1.650 59.474 58.000 -0.292 0.000 1.307 373 F CB -0.428 38.274 39.000 -0.496 0.000 1.019 373 F HN 0.038 nan 8.300 nan 0.000 0.489 374 H N -0.902 118.110 119.070 -0.098 0.000 2.395 374 H HA 0.013 4.568 4.556 -0.002 0.000 0.299 374 H C 2.339 177.639 175.328 -0.047 0.000 1.070 374 H CA 0.637 56.610 56.048 -0.125 0.000 1.356 374 H CB -0.188 29.570 29.762 -0.007 0.000 1.401 374 H HN 0.351 nan 8.280 nan 0.000 0.524 375 A N 0.401 123.307 122.820 0.143 0.000 2.015 375 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 375 A C 2.341 180.071 177.584 0.245 0.000 1.163 375 A CA 1.538 53.731 52.037 0.260 0.000 0.646 375 A CB -0.374 18.660 19.000 0.057 0.000 0.806 375 A HN 0.281 nan 8.150 nan 0.000 0.448 376 S N -0.278 115.466 115.700 0.074 0.000 2.368 376 S HA -0.168 4.301 4.470 -0.002 0.000 0.224 376 S C 2.015 176.612 174.600 -0.004 0.000 1.029 376 S CA 1.374 59.612 58.200 0.063 0.000 0.988 376 S CB -0.274 62.971 63.200 0.075 0.000 0.838 376 S HN 0.718 nan 8.310 nan 0.000 0.462 377 Q N 0.378 120.099 119.800 -0.131 0.000 2.224 377 Q HA -0.018 4.321 4.340 -0.002 0.000 0.203 377 Q C 2.130 178.089 176.000 -0.068 0.000 0.970 377 Q CA 0.867 56.593 55.803 -0.129 0.000 0.865 377 Q CB -0.207 28.402 28.738 -0.215 0.000 0.922 377 Q HN 0.361 nan 8.270 nan 0.000 0.445 378 V N 0.784 120.680 119.914 -0.030 0.000 2.307 378 V HA -0.248 3.871 4.120 -0.002 0.000 0.245 378 V C 2.063 178.115 176.094 -0.069 0.000 1.045 378 V CA 1.509 63.748 62.300 -0.102 0.000 1.024 378 V CB -0.369 31.332 31.823 -0.203 0.000 0.651 378 V HN 0.328 nan 8.190 nan 0.000 0.449 379 I N 0.738 121.321 120.570 0.022 0.000 2.179 379 I HA -0.231 3.938 4.170 -0.002 0.000 0.242 379 I C 2.711 178.867 176.117 0.065 0.000 1.088 379 I CA 1.542 62.891 61.300 0.081 0.000 1.357 379 I CB -0.709 37.371 38.000 0.135 0.000 1.051 379 I HN 0.265 nan 8.210 nan 0.000 0.409 380 A N 0.663 123.496 122.820 0.021 0.000 1.948 380 A HA -0.223 4.096 4.320 -0.002 0.000 0.220 380 A C 2.210 179.758 177.584 -0.060 0.000 1.177 380 A CA 1.587 53.617 52.037 -0.011 0.000 0.636 380 A CB -0.440 18.550 19.000 -0.016 0.000 0.815 380 A HN 0.258 nan 8.150 nan 0.000 0.449 381 K N -0.497 119.828 120.400 -0.126 0.000 2.442 381 K HA -0.087 4.232 4.320 -0.002 0.000 0.198 381 K C 0.529 176.924 176.600 -0.342 0.000 1.042 381 K CA 0.770 56.910 56.287 -0.244 0.000 0.958 381 K CB -0.218 32.086 32.500 -0.326 0.000 0.766 381 K HN 0.674 nan 8.250 nan 0.000 0.474 382 H N -0.364 118.659 119.070 -0.079 0.000 2.505 382 H HA 0.154 4.709 4.556 -0.002 0.000 0.286 382 H C -0.400 174.896 175.328 -0.053 0.000 1.072 382 H CA -0.100 55.904 56.048 -0.074 0.000 1.141 382 H CB 0.587 30.295 29.762 -0.091 0.000 1.550 382 H HN -0.216 nan 8.280 nan 0.000 0.547 383 V N 3.446 123.375 119.914 0.025 0.000 2.328 383 V HA 0.163 4.282 4.120 -0.002 0.000 0.278 383 V C -0.139 175.946 176.094 -0.015 0.000 1.021 383 V CA -0.602 61.706 62.300 0.012 0.000 0.838 383 V CB 1.271 33.096 31.823 0.003 0.000 0.999 383 V HN 0.410 nan 8.190 nan 0.000 0.447 384 D N 4.137 124.533 120.400 -0.007 0.000 2.837 384 D HA 0.581 5.220 4.640 -0.002 0.000 0.294 384 D C 1.021 177.314 176.300 -0.012 0.000 1.158 384 D CA -0.086 53.903 54.000 -0.019 0.000 1.073 384 D CB 1.253 42.040 40.800 -0.020 0.000 1.419 384 D HN 0.329 nan 8.370 nan 0.000 0.584 385 A N -0.764 122.046 122.820 -0.017 0.000 2.172 385 A HA 0.214 4.533 4.320 -0.002 0.000 0.216 385 A C 1.813 179.392 177.584 -0.008 0.000 1.154 385 A CA 1.453 53.482 52.037 -0.014 0.000 0.701 385 A CB -1.313 17.676 19.000 -0.018 0.000 0.789 385 A HN 0.604 nan 8.150 nan 0.000 0.465 386 G N -1.252 107.545 108.800 -0.006 0.000 2.985 386 G HA2 0.376 4.335 3.960 -0.002 0.000 0.209 386 G HA3 0.376 4.335 3.960 -0.002 0.000 0.209 386 G C 0.054 174.954 174.900 -0.000 0.000 1.165 386 G CA 0.447 45.545 45.100 -0.003 0.000 0.776 386 G HN 0.244 nan 8.290 nan 0.000 0.541 387 V N 0.752 120.668 119.914 0.004 0.000 2.531 387 V HA 0.401 4.520 4.120 -0.002 0.000 0.301 387 V C -0.287 175.818 176.094 0.017 0.000 1.034 387 V CA -0.693 61.613 62.300 0.010 0.000 0.865 387 V CB 1.855 33.689 31.823 0.018 0.000 0.995 387 V HN 0.045 nan 8.190 nan 0.000 0.424 388 T N 4.189 118.749 114.554 0.010 0.000 2.845 388 T HA 0.568 4.917 4.350 -0.002 0.000 0.288 388 T C -0.244 174.471 174.700 0.024 0.000 0.980 388 T CA -0.315 61.793 62.100 0.014 0.000 1.071 388 T CB 1.523 70.380 68.868 -0.017 0.000 0.941 388 T HN 0.371 nan 8.240 nan 0.000 0.487 389 V N 3.970 123.927 119.914 0.071 0.000 2.417 389 V HA 0.431 4.550 4.120 -0.002 0.000 0.291 389 V C -0.164 175.894 176.094 -0.059 0.000 1.024 389 V CA -0.760 61.589 62.300 0.083 0.000 0.861 389 V CB 1.778 33.755 31.823 0.257 0.000 0.985 389 V HN 0.694 nan 8.190 nan 0.000 0.436 390 V N 4.104 123.939 119.914 -0.132 0.000 2.398 390 V HA 0.786 4.905 4.120 -0.002 0.000 0.286 390 V C 0.358 176.283 176.094 -0.283 0.000 1.026 390 V CA -0.464 61.675 62.300 -0.269 0.000 0.868 390 V CB 1.586 33.269 31.823 -0.232 0.000 0.982 390 V HN 0.978 nan 8.190 nan 0.000 0.443 391 A N 3.623 126.171 122.820 -0.453 0.000 2.318 391 A HA 0.811 5.130 4.320 -0.002 0.000 0.324 391 A C -0.756 176.523 177.584 -0.508 0.000 1.170 391 A CA -0.362 51.453 52.037 -0.369 0.000 0.810 391 A CB 1.225 20.009 19.000 -0.360 0.000 1.198 391 A HN 0.750 nan 8.150 nan 0.000 0.484 392 D N 0.428 120.664 120.400 -0.273 0.000 2.592 392 D HA 0.602 5.241 4.640 -0.002 0.000 0.263 392 D C 0.452 176.832 176.300 0.133 0.000 1.132 392 D CA 0.777 54.653 54.000 -0.207 0.000 0.996 392 D CB 1.840 42.557 40.800 -0.139 0.000 1.442 392 D HN 1.441 nan 8.370 nan 0.000 0.486 393 G N 0.653 109.638 108.800 0.308 0.000 2.248 393 G HA2 0.200 4.159 3.960 -0.002 0.000 0.252 393 G HA3 0.200 4.159 3.960 -0.002 0.000 0.252 393 G C 0.929 175.963 174.900 0.223 0.000 1.085 393 G CA 0.910 46.161 45.100 0.251 0.000 0.845 393 G HN 1.437 nan 8.290 nan 0.000 0.494 394 A N -0.866 122.122 122.820 0.281 0.000 5.149 394 A HA -0.388 3.931 4.320 -0.002 0.000 0.344 394 A C 2.186 179.615 177.584 -0.258 0.000 1.715 394 A CA 2.767 54.775 52.037 -0.048 0.000 0.700 394 A CB -1.514 17.506 19.000 0.033 0.000 1.461 394 A HN 1.382 nan 8.150 nan 0.000 0.399 395 L N -0.645 120.518 121.223 -0.101 0.000 2.051 395 L HA -0.265 4.074 4.340 -0.002 0.000 0.214 395 L C 2.816 179.755 176.870 0.116 0.000 1.076 395 L CA 2.508 57.337 54.840 -0.018 0.000 0.758 395 L CB -1.121 40.963 42.059 0.041 0.000 0.890 395 L HN 0.872 nan 8.230 nan 0.000 0.433 396 T N -0.571 114.045 114.554 0.103 0.000 2.624 396 T HA -0.278 4.071 4.350 -0.002 0.000 0.268 396 T C 1.620 176.439 174.700 0.199 0.000 1.041 396 T CA 2.323 64.515 62.100 0.154 0.000 1.159 396 T CB -0.500 68.438 68.868 0.116 0.000 0.863 396 T HN 0.588 nan 8.240 nan 0.000 0.434 397 Y N 2.184 122.554 120.300 0.117 0.000 2.420 397 Y HA 0.235 4.784 4.550 -0.002 0.000 0.292 397 Y C 1.719 177.694 175.900 0.125 0.000 1.119 397 Y CA 0.149 58.301 58.100 0.087 0.000 1.229 397 Y CB -0.920 37.518 38.460 -0.036 0.000 1.026 397 Y HN 0.184 nan 8.280 nan 0.000 0.554 398 L N -3.135 117.940 121.223 -0.247 0.000 2.492 398 L HA 0.200 4.539 4.340 -0.002 0.000 0.223 398 L C 1.563 178.408 176.870 -0.042 0.000 1.132 398 L CA 0.394 55.161 54.840 -0.120 0.000 0.850 398 L CB -1.264 40.604 42.059 -0.319 0.000 0.966 398 L HN 0.158 nan 8.230 nan 0.000 0.454 399 W N -0.210 121.134 121.300 0.073 0.000 2.481 399 W HA 0.059 4.718 4.660 -0.001 0.000 0.293 399 W C 2.272 178.908 176.519 0.196 0.000 1.201 399 W CA 0.022 57.462 57.345 0.159 0.000 1.328 399 W CB -0.006 29.545 29.460 0.151 0.000 1.112 399 W HN 0.114 nan 8.180 nan 0.000 0.546 400 L N 0.965 122.434 121.223 0.410 0.000 2.046 400 L HA -0.225 4.114 4.340 -0.002 0.000 0.208 400 L C 2.694 179.739 176.870 0.293 0.000 1.077 400 L CA 2.477 57.511 54.840 0.324 0.000 0.747 400 L CB -1.198 41.048 42.059 0.311 0.000 0.896 400 L HN 0.003 nan 8.230 nan 0.000 0.432 401 S N -1.407 114.489 115.700 0.327 0.000 2.402 401 S HA -0.219 4.250 4.470 -0.002 0.000 0.233 401 S C 1.807 176.543 174.600 0.226 0.000 1.030 401 S CA 1.310 59.688 58.200 0.296 0.000 1.003 401 S CB -0.655 62.784 63.200 0.398 0.000 0.813 401 S HN 0.548 nan 8.310 nan 0.000 0.477 402 E N 0.965 121.333 120.200 0.281 0.000 2.274 402 E HA -0.019 4.330 4.350 -0.002 0.000 0.194 402 E C 2.206 179.056 176.600 0.416 0.000 0.996 402 E CA 1.273 57.874 56.400 0.336 0.000 0.840 402 E CB -0.135 29.816 29.700 0.418 0.000 0.772 402 E HN 0.787 nan 8.360 nan 0.000 0.491 403 V N -3.145 116.966 119.914 0.328 0.000 3.565 403 V HA 0.096 4.215 4.120 -0.002 0.000 0.260 403 V C 1.894 178.033 176.094 0.076 0.000 1.231 403 V CA 0.105 62.567 62.300 0.270 0.000 1.100 403 V CB 0.005 31.934 31.823 0.176 0.000 0.807 403 V HN -0.011 nan 8.190 nan 0.000 0.454 404 M N 1.297 120.907 119.600 0.017 0.000 2.460 404 M HA 0.029 4.508 4.480 -0.002 0.000 0.263 404 M C 2.095 178.289 176.300 -0.176 0.000 1.071 404 M CA 1.255 56.461 55.300 -0.157 0.000 1.096 404 M CB -1.098 31.268 32.600 -0.391 0.000 1.408 404 M HN 0.545 nan 8.290 nan 0.000 0.463 405 S N 0.500 116.145 115.700 -0.091 0.000 2.436 405 S HA -0.038 4.431 4.470 -0.002 0.000 0.228 405 S C 1.549 176.074 174.600 -0.125 0.000 1.014 405 S CA 0.639 58.782 58.200 -0.095 0.000 0.950 405 S CB -0.127 63.056 63.200 -0.027 0.000 0.784 405 S HN 0.594 nan 8.310 nan 0.000 0.504 406 R N 1.175 121.588 120.500 -0.145 0.000 2.427 406 R HA 0.250 4.589 4.340 -0.002 0.000 0.262 406 R C 0.159 176.366 176.300 -0.155 0.000 0.943 406 R CA -0.118 55.873 56.100 -0.181 0.000 1.081 406 R CB -0.318 29.809 30.300 -0.289 0.000 1.166 406 R HN 0.330 nan 8.270 nan 0.000 0.534 407 V N -2.045 117.791 119.914 -0.131 0.000 3.113 407 V HA 0.537 4.656 4.120 -0.002 0.000 0.316 407 V C -0.657 175.376 176.094 -0.101 0.000 1.125 407 V CA -1.405 60.831 62.300 -0.108 0.000 1.026 407 V CB 2.050 33.819 31.823 -0.089 0.000 1.080 407 V HN 0.024 nan 8.190 nan 0.000 0.444 408 K N 2.511 122.864 120.400 -0.078 0.000 2.499 408 K HA 0.432 4.751 4.320 -0.002 0.000 0.215 408 K C -2.776 173.798 176.600 -0.043 0.000 1.041 408 K CA -1.541 54.707 56.287 -0.066 0.000 1.031 408 K CB 1.069 33.532 32.500 -0.061 0.000 1.479 408 K HN 0.573 nan 8.250 nan 0.000 0.518 409 P HA -0.015 nan 4.420 nan 0.000 0.271 409 P C 0.689 177.995 177.300 0.009 0.000 1.216 409 P CA 0.051 63.151 63.100 0.001 0.000 0.776 409 P CB 1.392 33.112 31.700 0.033 0.000 0.881 410 G N 2.305 111.111 108.800 0.011 0.000 2.422 410 G HA2 0.075 4.034 3.960 -0.002 0.000 0.218 410 G HA3 0.075 4.034 3.960 -0.002 0.000 0.218 410 G C 0.683 175.590 174.900 0.013 0.000 1.146 410 G CA 0.763 45.865 45.100 0.004 0.000 0.769 410 G HN 0.810 nan 8.290 nan 0.000 0.547 411 G N -1.836 106.986 108.800 0.037 0.000 2.718 411 G HA2 0.490 4.449 3.960 -0.002 0.000 0.295 411 G HA3 0.490 4.449 3.960 -0.002 0.000 0.295 411 G C -2.081 172.906 174.900 0.145 0.000 1.421 411 G CA -0.760 44.372 45.100 0.053 0.000 0.902 411 G HN 0.234 nan 8.290 nan 0.000 0.501 412 F N 1.921 121.844 119.950 -0.044 0.000 2.828 412 F HA 0.561 5.087 4.527 -0.002 0.000 0.355 412 F C -1.195 174.563 175.800 -0.069 0.000 1.200 412 F CA -1.115 56.858 58.000 -0.045 0.000 1.062 412 F CB 1.256 40.249 39.000 -0.012 0.000 1.351 412 F HN 0.304 nan 8.300 nan 0.000 0.504 413 L N 7.102 127.974 121.223 -0.586 0.000 2.313 413 L HA 0.460 4.799 4.340 -0.002 0.000 0.273 413 L C -0.117 176.284 176.870 -0.783 0.000 1.028 413 L CA -0.533 53.983 54.840 -0.539 0.000 0.871 413 L CB 0.854 42.719 42.059 -0.323 0.000 1.242 413 L HN 0.636 nan 8.230 nan 0.000 0.434 414 C N 1.739 120.515 119.300 -0.874 0.000 2.656 414 C HA 0.525 4.984 4.460 -0.002 0.000 0.404 414 C C 0.604 175.150 174.990 -0.740 0.000 1.423 414 C CA -0.454 57.986 59.018 -0.962 0.000 1.784 414 C CB 1.360 28.411 27.740 -1.148 0.000 2.093 414 C HN 0.644 nan 8.230 nan 0.000 0.492 415 H N 0.184 118.801 119.070 -0.754 0.000 2.815 415 H HA 0.291 4.846 4.556 -0.002 0.000 0.350 415 H C 0.716 175.809 175.328 -0.393 0.000 1.080 415 H CA 1.109 56.839 56.048 -0.530 0.000 1.433 415 H CB 0.389 29.830 29.762 -0.535 0.000 1.432 415 H HN 0.867 nan 8.280 nan 0.000 0.592 416 G N 1.066 109.793 108.800 -0.122 0.000 2.574 416 G HA2 0.055 4.014 3.960 -0.002 0.000 0.248 416 G HA3 0.055 4.014 3.960 -0.002 0.000 0.248 416 G C 0.227 175.052 174.900 -0.125 0.000 1.422 416 G CA -0.382 44.603 45.100 -0.192 0.000 1.051 416 G HN 0.570 nan 8.290 nan 0.000 0.560 417 Y N -0.610 119.693 120.300 0.005 0.000 2.333 417 Y HA -0.006 4.543 4.550 -0.001 0.000 0.290 417 Y C 2.620 178.520 175.900 -0.001 0.000 1.144 417 Y CA 0.250 58.354 58.100 0.007 0.000 1.228 417 Y CB -0.307 38.152 38.460 -0.002 0.000 0.985 417 Y HN 0.137 nan 8.280 nan 0.000 0.542 418 L N -0.176 121.124 121.223 0.129 0.000 2.083 418 L HA -0.073 4.266 4.340 -0.002 0.000 0.209 418 L C 1.485 178.333 176.870 -0.037 0.000 1.083 418 L CA 1.860 56.735 54.840 0.058 0.000 0.752 418 L CB -1.179 40.913 42.059 0.055 0.000 0.899 418 L HN 0.506 nan 8.230 nan 0.000 0.433 419 G N 0.736 109.469 108.800 -0.111 0.000 2.356 419 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.296 419 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.296 419 G C 0.369 175.010 174.900 -0.430 0.000 1.022 419 G CA 0.812 45.721 45.100 -0.318 0.000 0.961 419 G HN 0.473 nan 8.290 nan 0.000 0.510 420 S N -0.203 115.281 115.700 -0.361 0.000 2.405 420 S HA 0.498 4.967 4.470 -0.002 0.000 0.291 420 S C 1.048 175.396 174.600 -0.419 0.000 1.137 420 S CA -0.566 57.446 58.200 -0.313 0.000 1.061 420 S CB -0.010 63.082 63.200 -0.180 0.000 1.001 420 S HN 0.363 nan 8.310 nan 0.000 0.507 421 M N 4.852 124.205 119.600 -0.412 0.000 2.390 421 M HA 0.254 4.733 4.480 -0.002 0.000 0.353 421 M C 1.351 177.303 176.300 -0.579 0.000 1.623 421 M CA 0.826 55.951 55.300 -0.291 0.000 1.065 421 M CB -0.471 32.073 32.600 -0.092 0.000 2.025 421 M HN 0.936 nan 8.290 nan 0.000 0.461 422 G N 2.349 110.994 108.800 -0.258 0.000 2.192 422 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.193 422 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.193 422 G C 0.453 175.240 174.900 -0.188 0.000 0.999 422 G CA 0.292 45.231 45.100 -0.267 0.000 0.659 422 G HN 1.051 nan 8.290 nan 0.000 0.503 423 V N -0.317 119.435 119.914 -0.269 0.000 3.141 423 V HA 0.369 4.488 4.120 -0.002 0.000 0.265 423 V C 2.378 178.226 176.094 -0.410 0.000 1.126 423 V CA 2.191 64.129 62.300 -0.604 0.000 1.141 423 V CB -0.586 30.752 31.823 -0.807 0.000 0.743 423 V HN 0.874 nan 8.190 nan 0.000 0.492 424 G N -0.567 108.095 108.800 -0.230 0.000 2.408 424 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.217 424 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.217 424 G C 1.283 176.115 174.900 -0.114 0.000 1.150 424 G CA 0.957 45.923 45.100 -0.223 0.000 0.776 424 G HN 0.486 nan 8.290 nan 0.000 0.542 425 F N 2.295 122.154 119.950 -0.152 0.000 2.051 425 F HA 0.031 4.557 4.527 -0.002 0.000 0.296 425 F C 2.723 178.451 175.800 -0.120 0.000 1.122 425 F CA 1.309 59.224 58.000 -0.141 0.000 1.201 425 F CB -0.790 38.133 39.000 -0.129 0.000 0.978 425 F HN 0.138 nan 8.300 nan 0.000 0.472 426 G N -1.231 107.694 108.800 0.208 0.000 2.446 426 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.217 426 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.217 426 G C 1.692 176.607 174.900 0.026 0.000 1.168 426 G CA 1.538 46.709 45.100 0.117 0.000 0.771 426 G HN 0.376 nan 8.290 nan 0.000 0.551 427 T N 1.619 116.163 114.554 -0.017 0.000 2.665 427 T HA -0.085 4.264 4.350 -0.002 0.000 0.268 427 T C 2.774 177.410 174.700 -0.107 0.000 1.035 427 T CA 1.832 63.873 62.100 -0.098 0.000 1.151 427 T CB -0.396 68.367 68.868 -0.174 0.000 0.862 427 T HN 0.404 nan 8.240 nan 0.000 0.438 428 A N 0.821 123.585 122.820 -0.094 0.000 1.897 428 A HA 0.107 4.426 4.320 -0.002 0.000 0.215 428 A C 2.285 179.845 177.584 -0.040 0.000 1.181 428 A CA 1.106 53.084 52.037 -0.098 0.000 0.620 428 A CB -0.809 18.096 19.000 -0.159 0.000 0.821 428 A HN 0.490 nan 8.150 nan 0.000 0.443 429 L N -0.301 120.933 121.223 0.019 0.000 1.989 429 L HA -0.135 4.204 4.340 -0.002 0.000 0.211 429 L C 2.464 179.360 176.870 0.042 0.000 1.071 429 L CA 2.007 56.886 54.840 0.065 0.000 0.749 429 L CB -0.611 41.515 42.059 0.113 0.000 0.890 429 L HN 0.374 nan 8.230 nan 0.000 0.431 430 G N -1.223 107.517 108.800 -0.100 0.000 2.418 430 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.217 430 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.217 430 G C 1.614 176.513 174.900 -0.001 0.000 1.158 430 G CA 0.678 45.616 45.100 -0.270 0.000 0.771 430 G HN 0.604 nan 8.290 nan 0.000 0.545 431 A N 0.222 123.018 122.820 -0.041 0.000 1.933 431 A HA -0.108 4.211 4.320 -0.002 0.000 0.218 431 A C 2.304 179.892 177.584 0.007 0.000 1.175 431 A CA 2.263 54.283 52.037 -0.029 0.000 0.628 431 A CB -0.415 18.543 19.000 -0.069 0.000 0.814 431 A HN 0.411 nan 8.150 nan 0.000 0.444 432 Q N -0.097 119.717 119.800 0.024 0.000 2.167 432 Q HA -0.078 4.261 4.340 -0.002 0.000 0.202 432 Q C 1.792 177.830 176.000 0.064 0.000 0.970 432 Q CA 1.887 57.712 55.803 0.037 0.000 0.855 432 Q CB -0.539 28.224 28.738 0.040 0.000 0.911 432 Q HN 0.370 nan 8.270 nan 0.000 0.438 433 V N 0.454 120.441 119.914 0.121 0.000 2.358 433 V HA -0.231 3.888 4.120 -0.002 0.000 0.246 433 V C 2.249 178.399 176.094 0.093 0.000 1.047 433 V CA 1.715 64.080 62.300 0.108 0.000 1.035 433 V CB -1.255 30.693 31.823 0.208 0.000 0.658 433 V HN 0.490 nan 8.190 nan 0.000 0.452 434 A N -0.143 122.763 122.820 0.144 0.000 1.898 434 A HA -0.224 4.095 4.320 -0.002 0.000 0.216 434 A C 1.974 179.536 177.584 -0.037 0.000 1.181 434 A CA 1.875 53.883 52.037 -0.049 0.000 0.620 434 A CB -0.576 18.259 19.000 -0.276 0.000 0.819 434 A HN 0.523 nan 8.150 nan 0.000 0.442 435 D N -0.578 119.812 120.400 -0.016 0.000 2.264 435 D HA -0.061 4.578 4.640 -0.002 0.000 0.208 435 D C 1.680 177.986 176.300 0.009 0.000 0.966 435 D CA 0.560 54.553 54.000 -0.011 0.000 0.864 435 D CB -0.128 40.667 40.800 -0.009 0.000 0.933 435 D HN 0.309 nan 8.370 nan 0.000 0.499 436 L N 1.228 122.466 121.223 0.024 0.000 2.056 436 L HA -0.129 4.210 4.340 -0.002 0.000 0.207 436 L C 2.064 178.960 176.870 0.043 0.000 1.078 436 L CA 1.560 56.422 54.840 0.036 0.000 0.749 436 L CB -0.234 41.852 42.059 0.045 0.000 0.901 436 L HN -0.038 nan 8.230 nan 0.000 0.433 437 E N -0.773 119.459 120.200 0.053 0.000 2.077 437 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 437 E C 1.752 178.372 176.600 0.033 0.000 0.989 437 E CA 1.128 57.565 56.400 0.062 0.000 0.800 437 E CB -0.283 29.470 29.700 0.088 0.000 0.746 437 E HN 0.519 nan 8.360 nan 0.000 0.452 438 A N 0.520 123.348 122.820 0.013 0.000 2.302 438 A HA 0.329 4.648 4.320 -0.002 0.000 0.219 438 A C 1.447 179.033 177.584 0.004 0.000 1.243 438 A CA 0.528 52.566 52.037 0.002 0.000 0.856 438 A CB -0.411 18.580 19.000 -0.015 0.000 0.893 438 A HN 0.290 nan 8.150 nan 0.000 0.491 439 G N -0.171 108.636 108.800 0.012 0.000 2.249 439 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.273 439 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.273 439 G C 0.240 175.144 174.900 0.007 0.000 1.036 439 G CA 0.639 45.746 45.100 0.012 0.000 0.824 439 G HN 0.654 nan 8.290 nan 0.000 0.504 440 R N -1.338 119.165 120.500 0.005 0.000 2.902 440 R HA 0.730 5.069 4.340 -0.002 0.000 0.258 440 R C -0.082 176.220 176.300 0.003 0.000 1.071 440 R CA -1.104 54.996 56.100 0.001 0.000 1.024 440 R CB 1.028 31.325 30.300 -0.006 0.000 1.184 440 R HN 0.068 nan 8.270 nan 0.000 0.492 441 R N 0.353 120.853 120.500 -0.000 0.000 2.637 441 R HA 0.422 4.761 4.340 -0.002 0.000 0.291 441 R C -0.955 175.341 176.300 -0.006 0.000 0.963 441 R CA -0.453 55.647 56.100 -0.002 0.000 0.901 441 R CB 2.210 32.505 30.300 -0.008 0.000 1.160 441 R HN 0.630 nan 8.270 nan 0.000 0.457 442 T N 3.345 117.894 114.554 -0.008 0.000 2.855 442 T HA 0.619 4.968 4.350 -0.002 0.000 0.281 442 T C 0.254 174.937 174.700 -0.028 0.000 1.007 442 T CA -0.465 61.623 62.100 -0.021 0.000 1.009 442 T CB 1.315 70.167 68.868 -0.028 0.000 0.983 442 T HN 0.356 nan 8.240 nan 0.000 0.455 443 I N 3.214 123.765 120.570 -0.033 0.000 2.468 443 I HA 0.318 4.487 4.170 -0.002 0.000 0.285 443 I C -0.959 175.121 176.117 -0.061 0.000 1.039 443 I CA -0.969 60.310 61.300 -0.036 0.000 1.074 443 I CB 1.841 39.835 38.000 -0.010 0.000 1.228 443 I HN 0.376 nan 8.210 nan 0.000 0.436 444 L N 8.660 129.817 121.223 -0.109 0.000 2.326 444 L HA 0.544 4.883 4.340 -0.002 0.000 0.278 444 L C -0.695 176.115 176.870 -0.100 0.000 1.092 444 L CA 0.009 54.755 54.840 -0.157 0.000 0.810 444 L CB 1.401 43.284 42.059 -0.292 0.000 1.153 444 L HN 0.344 nan 8.230 nan 0.000 0.439 445 V N 4.994 124.862 119.914 -0.076 0.000 2.305 445 V HA 0.481 4.600 4.120 -0.002 0.000 0.275 445 V C 0.072 176.146 176.094 -0.033 0.000 1.020 445 V CA -0.318 61.971 62.300 -0.019 0.000 0.811 445 V CB 0.824 32.680 31.823 0.056 0.000 1.031 445 V HN 0.932 nan 8.190 nan 0.000 0.439 446 T N 3.080 117.605 114.554 -0.049 0.000 2.907 446 T HA 0.771 5.120 4.350 -0.002 0.000 0.290 446 T C 0.336 175.020 174.700 -0.027 0.000 1.066 446 T CA 0.132 62.210 62.100 -0.037 0.000 1.012 446 T CB 1.916 70.740 68.868 -0.073 0.000 1.184 446 T HN 0.789 nan 8.240 nan 0.000 0.522 447 G N 0.838 109.637 108.800 -0.001 0.000 2.504 447 G HA2 0.332 4.291 3.960 -0.002 0.000 0.288 447 G HA3 0.332 4.291 3.960 -0.002 0.000 0.288 447 G C 0.895 175.705 174.900 -0.150 0.000 1.182 447 G CA -0.119 44.958 45.100 -0.039 0.000 0.894 447 G HN 0.836 nan 8.290 nan 0.000 0.521 448 D N 0.386 120.652 120.400 -0.223 0.000 2.149 448 D HA -0.133 4.506 4.640 -0.002 0.000 0.198 448 D C 2.137 178.159 176.300 -0.462 0.000 0.990 448 D CA 1.541 55.285 54.000 -0.427 0.000 0.839 448 D CB -0.874 39.801 40.800 -0.208 0.000 0.948 448 D HN 0.472 nan 8.370 nan 0.000 0.460 449 G N 0.278 108.778 108.800 -0.501 0.000 2.404 449 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.215 449 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.215 449 G C 1.886 176.621 174.900 -0.275 0.000 1.174 449 G CA 1.061 45.577 45.100 -0.972 0.000 0.780 449 G HN 0.359 nan 8.290 nan 0.000 0.537 450 S N -0.302 115.456 115.700 0.096 0.000 2.399 450 S HA -0.105 4.364 4.470 -0.002 0.000 0.231 450 S C 2.312 177.104 174.600 0.321 0.000 1.022 450 S CA 0.977 59.402 58.200 0.376 0.000 0.983 450 S CB -0.244 63.098 63.200 0.236 0.000 0.803 450 S HN 0.157 nan 8.310 nan 0.000 0.480 451 V N 1.847 121.830 119.914 0.115 0.000 2.515 451 V HA -0.076 4.043 4.120 -0.002 0.000 0.250 451 V C 2.152 178.402 176.094 0.260 0.000 1.058 451 V CA 1.824 64.224 62.300 0.166 0.000 1.064 451 V CB -0.911 30.920 31.823 0.013 0.000 0.675 451 V HN 0.565 nan 8.190 nan 0.000 0.461 452 G N -2.319 106.592 108.800 0.186 0.000 2.679 452 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.212 452 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.212 452 G C 1.176 176.169 174.900 0.155 0.000 1.137 452 G CA 0.495 45.710 45.100 0.192 0.000 0.787 452 G HN 0.571 nan 8.290 nan 0.000 0.534 453 Y N 1.218 121.618 120.300 0.166 0.000 2.133 453 Y HA -0.007 4.542 4.550 -0.002 0.000 0.287 453 Y C 2.097 178.036 175.900 0.065 0.000 1.134 453 Y CA 1.732 59.910 58.100 0.130 0.000 1.133 453 Y CB 0.380 38.916 38.460 0.127 0.000 0.987 453 Y HN 0.123 nan 8.280 nan 0.000 0.502 454 S N -0.440 115.378 115.700 0.196 0.000 2.668 454 S HA 0.179 4.648 4.470 -0.002 0.000 0.244 454 S C 1.074 175.500 174.600 -0.291 0.000 1.140 454 S CA -0.282 57.886 58.200 -0.053 0.000 1.134 454 S CB -0.100 63.027 63.200 -0.122 0.000 0.954 454 S HN 0.334 nan 8.310 nan 0.000 0.490 455 I N 1.712 122.278 120.570 -0.007 0.000 2.614 455 I HA -0.076 4.093 4.170 -0.002 0.000 0.258 455 I C 2.121 178.219 176.117 -0.032 0.000 1.189 455 I CA 0.870 62.247 61.300 0.129 0.000 1.462 455 I CB -0.037 38.194 38.000 0.385 0.000 1.092 455 I HN 0.544 nan 8.210 nan 0.000 0.442 456 G N -0.008 108.685 108.800 -0.179 0.000 2.625 456 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.214 456 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.214 456 G C 1.288 175.797 174.900 -0.653 0.000 1.132 456 G CA 0.169 45.008 45.100 -0.435 0.000 0.782 456 G HN 0.335 nan 8.290 nan 0.000 0.538 457 E N 0.102 119.858 120.200 -0.740 0.000 2.482 457 E HA 0.047 4.396 4.350 -0.002 0.000 0.196 457 E C 1.624 177.891 176.600 -0.555 0.000 1.047 457 E CA -0.117 55.816 56.400 -0.778 0.000 0.869 457 E CB -0.244 28.760 29.700 -1.160 0.000 0.836 457 E HN 0.593 nan 8.360 nan 0.000 0.520 458 F N 1.207 120.940 119.950 -0.363 0.000 2.269 458 F HA -0.183 4.343 4.527 -0.002 0.000 0.301 458 F C 2.183 177.916 175.800 -0.113 0.000 1.082 458 F CA 1.164 59.157 58.000 -0.013 0.000 1.360 458 F CB -0.001 39.119 39.000 0.200 0.000 1.041 458 F HN 0.040 nan 8.300 nan 0.000 0.512 459 D N -0.238 119.964 120.400 -0.330 0.000 2.084 459 D HA -0.166 4.473 4.640 -0.002 0.000 0.194 459 D C 2.090 178.373 176.300 -0.028 0.000 0.990 459 D CA 2.036 55.935 54.000 -0.168 0.000 0.826 459 D CB -0.225 40.357 40.800 -0.363 0.000 0.971 459 D HN 0.080 nan 8.370 nan 0.000 0.453 460 T N 0.189 114.692 114.554 -0.086 0.000 2.746 460 T HA -0.121 4.228 4.350 -0.002 0.000 0.267 460 T C 1.803 176.531 174.700 0.047 0.000 1.039 460 T CA 0.647 62.738 62.100 -0.014 0.000 1.142 460 T CB -0.268 68.578 68.868 -0.036 0.000 0.866 460 T HN 0.054 nan 8.240 nan 0.000 0.444 461 L N 0.837 122.102 121.223 0.070 0.000 2.042 461 L HA -0.071 4.268 4.340 -0.002 0.000 0.210 461 L C 2.589 179.540 176.870 0.133 0.000 1.076 461 L CA 1.288 56.204 54.840 0.127 0.000 0.749 461 L CB -1.066 41.108 42.059 0.192 0.000 0.893 461 L HN 0.149 nan 8.230 nan 0.000 0.432 462 V N -1.056 118.946 119.914 0.145 0.000 2.407 462 V HA -0.198 3.921 4.120 -0.002 0.000 0.245 462 V C 2.619 178.774 176.094 0.102 0.000 1.041 462 V CA 1.336 63.719 62.300 0.138 0.000 1.040 462 V CB -0.427 31.497 31.823 0.168 0.000 0.671 462 V HN 0.382 nan 8.190 nan 0.000 0.455 463 R N 0.317 120.870 120.500 0.088 0.000 2.096 463 R HA -0.089 4.250 4.340 -0.002 0.000 0.235 463 R C 1.817 178.155 176.300 0.064 0.000 1.127 463 R CA 0.973 57.115 56.100 0.070 0.000 0.968 463 R CB -0.119 30.216 30.300 0.059 0.000 0.861 463 R HN 0.352 nan 8.270 nan 0.000 0.440 464 K N 0.470 120.910 120.400 0.068 0.000 2.374 464 K HA 0.079 4.398 4.320 -0.002 0.000 0.196 464 K C -0.050 176.591 176.600 0.068 0.000 1.023 464 K CA 0.106 56.431 56.287 0.063 0.000 1.103 464 K CB 0.392 32.929 32.500 0.062 0.000 0.848 464 K HN 0.186 nan 8.250 nan 0.000 0.528 465 Q N 0.858 120.704 119.800 0.077 0.000 2.452 465 Q HA -0.171 4.168 4.340 -0.002 0.000 0.318 465 Q C -0.923 175.126 176.000 0.083 0.000 1.386 465 Q CA 0.280 56.131 55.803 0.081 0.000 0.872 465 Q CB -1.963 26.816 28.738 0.069 0.000 1.151 465 Q HN 0.285 nan 8.270 nan 0.000 0.417 466 L N 1.401 122.680 121.223 0.093 0.000 2.257 466 L HA 0.313 4.652 4.340 -0.002 0.000 0.290 466 L C -1.637 175.292 176.870 0.099 0.000 1.044 466 L CA -2.090 52.805 54.840 0.091 0.000 0.810 466 L CB 0.733 42.850 42.059 0.096 0.000 1.193 466 L HN -0.044 nan 8.230 nan 0.000 0.425 467 P HA 0.053 nan 4.420 nan 0.000 0.237 467 P C -0.361 176.985 177.300 0.076 0.000 1.723 467 P CA -0.288 62.865 63.100 0.090 0.000 0.882 467 P CB -0.106 31.639 31.700 0.075 0.000 1.810 468 L N 0.586 121.856 121.223 0.078 0.000 2.349 468 L HA 0.292 4.631 4.340 -0.002 0.000 0.275 468 L C -0.169 176.736 176.870 0.058 0.000 1.115 468 L CA -0.208 54.657 54.840 0.040 0.000 0.820 468 L CB 0.122 42.187 42.059 0.010 0.000 1.135 468 L HN -0.025 nan 8.230 nan 0.000 0.445 469 I N 6.256 126.840 120.570 0.024 0.000 2.310 469 I HA 0.212 4.381 4.170 -0.002 0.000 0.287 469 I C -0.516 175.603 176.117 0.003 0.000 1.073 469 I CA -0.680 60.649 61.300 0.047 0.000 1.216 469 I CB 1.063 39.073 38.000 0.017 0.000 1.415 469 I HN 0.277 nan 8.210 nan 0.000 0.480 470 V N 7.660 127.588 119.914 0.024 0.000 2.405 470 V HA 0.225 4.344 4.120 -0.002 0.000 0.264 470 V C 0.429 176.557 176.094 0.057 0.000 1.048 470 V CA 0.029 62.286 62.300 -0.072 0.000 0.966 470 V CB 0.487 32.196 31.823 -0.190 0.000 1.015 470 V HN 0.475 nan 8.190 nan 0.000 0.477 471 I N 6.500 127.076 120.570 0.010 0.000 2.336 471 I HA 0.458 4.627 4.170 -0.002 0.000 0.292 471 I C -0.267 175.844 176.117 -0.009 0.000 0.991 471 I CA -0.329 60.998 61.300 0.045 0.000 1.227 471 I CB 1.515 39.573 38.000 0.096 0.000 1.366 471 I HN 0.431 nan 8.210 nan 0.000 0.466 472 I N 6.599 127.160 120.570 -0.016 0.000 2.355 472 I HA 0.273 4.442 4.170 -0.002 0.000 0.288 472 I C -0.125 175.939 176.117 -0.090 0.000 0.999 472 I CA -0.623 60.642 61.300 -0.059 0.000 1.163 472 I CB 1.251 39.209 38.000 -0.071 0.000 1.316 472 I HN 0.399 nan 8.210 nan 0.000 0.454 473 M N 5.459 125.008 119.600 -0.086 0.000 2.618 473 M HA 0.113 4.592 4.480 -0.002 0.000 0.322 473 M C -0.030 176.229 176.300 -0.069 0.000 1.471 473 M CA 0.070 55.317 55.300 -0.088 0.000 1.450 473 M CB -0.887 31.686 32.600 -0.045 0.000 1.444 473 M HN 0.402 nan 8.290 nan 0.000 0.471 474 N N 3.945 122.616 118.700 -0.048 0.000 2.645 474 N HA 0.097 4.836 4.740 -0.002 0.000 0.233 474 N C -0.071 175.447 175.510 0.014 0.000 1.058 474 N CA -0.160 52.893 53.050 0.005 0.000 0.942 474 N CB 0.308 38.862 38.487 0.113 0.000 1.210 474 N HN 0.384 nan 8.380 nan 0.000 0.512 475 N N 2.708 121.403 118.700 -0.008 0.000 2.321 475 N HA 0.026 4.765 4.740 -0.002 0.000 0.242 475 N C -0.479 175.038 175.510 0.011 0.000 1.141 475 N CA -0.123 52.927 53.050 -0.001 0.000 0.864 475 N CB 0.101 38.580 38.487 -0.012 0.000 1.100 475 N HN 0.379 nan 8.380 nan 0.000 0.510 476 Q N -0.748 119.064 119.800 0.021 0.000 2.480 476 Q HA -0.199 4.140 4.340 -0.002 0.000 0.265 476 Q C -0.847 175.144 176.000 -0.015 0.000 1.072 476 Q CA 1.362 57.177 55.803 0.019 0.000 1.018 476 Q CB -2.548 26.208 28.738 0.029 0.000 1.433 476 Q HN 0.863 nan 8.270 nan 0.000 0.513 477 S N -3.016 112.649 115.700 -0.059 0.000 2.611 477 S HA 0.463 4.932 4.470 -0.002 0.000 0.270 477 S C -1.164 173.373 174.600 -0.105 0.000 1.131 477 S CA -1.062 57.096 58.200 -0.069 0.000 0.826 477 S CB 0.389 63.614 63.200 0.041 0.000 1.095 477 S HN 0.284 nan 8.310 nan 0.000 0.461 478 W N 2.334 123.666 121.300 0.052 0.000 2.518 478 W HA 0.420 5.079 4.660 -0.002 0.000 0.439 478 W C 1.612 178.135 176.519 0.007 0.000 1.075 478 W CA 0.145 57.515 57.345 0.041 0.000 1.646 478 W CB -0.232 29.260 29.460 0.053 0.000 1.721 478 W HN 1.066 nan 8.180 nan 0.000 0.386 479 G N 2.030 110.919 108.800 0.147 0.000 2.639 479 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.216 479 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.216 479 G C 1.700 176.516 174.900 -0.141 0.000 1.267 479 G CA 1.449 46.534 45.100 -0.026 0.000 0.801 479 G HN 0.539 nan 8.290 nan 0.000 0.592 480 A N 0.381 123.147 122.820 -0.090 0.000 1.908 480 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 480 A C 2.642 180.268 177.584 0.071 0.000 1.181 480 A CA 3.180 55.170 52.037 -0.078 0.000 0.627 480 A CB -1.279 17.700 19.000 -0.034 0.000 0.818 480 A HN 0.608 nan 8.150 nan 0.000 0.445 481 T N -1.165 113.448 114.554 0.098 0.000 2.788 481 T HA -0.144 4.205 4.350 -0.002 0.000 0.268 481 T C 1.850 176.682 174.700 0.219 0.000 1.044 481 T CA 1.372 63.551 62.100 0.132 0.000 1.139 481 T CB -0.564 68.342 68.868 0.062 0.000 0.867 481 T HN 0.300 nan 8.240 nan 0.000 0.454 482 L N 0.235 121.579 121.223 0.200 0.000 2.046 482 L HA -0.117 4.222 4.340 -0.002 0.000 0.208 482 L C 2.791 179.831 176.870 0.283 0.000 1.077 482 L CA 1.624 56.595 54.840 0.219 0.000 0.747 482 L CB -0.409 41.766 42.059 0.193 0.000 0.896 482 L HN 0.402 nan 8.230 nan 0.000 0.432 483 H N -1.823 117.333 119.070 0.143 0.000 2.352 483 H HA -0.255 4.300 4.556 -0.002 0.000 0.299 483 H C 2.045 177.446 175.328 0.123 0.000 1.097 483 H CA 1.633 57.750 56.048 0.115 0.000 1.311 483 H CB -0.093 29.734 29.762 0.108 0.000 1.377 483 H HN 0.420 nan 8.280 nan 0.000 0.504 484 F N 1.983 122.033 119.950 0.166 0.000 2.134 484 F HA -0.221 4.305 4.527 -0.002 0.000 0.299 484 F C 2.478 178.319 175.800 0.068 0.000 1.097 484 F CA 1.377 59.431 58.000 0.089 0.000 1.264 484 F CB -0.122 38.916 39.000 0.062 0.000 1.001 484 F HN 0.069 nan 8.300 nan 0.000 0.479 485 Q N -0.395 119.539 119.800 0.224 0.000 2.226 485 Q HA -0.221 4.118 4.340 -0.002 0.000 0.204 485 Q C 2.009 178.013 176.000 0.008 0.000 0.975 485 Q CA 1.753 57.622 55.803 0.111 0.000 0.866 485 Q CB -0.045 28.787 28.738 0.156 0.000 0.915 485 Q HN 0.633 nan 8.270 nan 0.000 0.440 486 Q N -0.474 119.335 119.800 0.015 0.000 2.141 486 Q HA -0.048 4.291 4.340 -0.002 0.000 0.194 486 Q C 1.927 177.878 176.000 -0.081 0.000 0.975 486 Q CA 0.483 56.275 55.803 -0.019 0.000 0.834 486 Q CB 0.022 28.762 28.738 0.002 0.000 0.916 486 Q HN 0.170 nan 8.270 nan 0.000 0.484 487 L N 0.657 121.823 121.223 -0.094 0.000 2.083 487 L HA -0.152 4.187 4.340 -0.002 0.000 0.209 487 L C 2.112 178.862 176.870 -0.199 0.000 1.083 487 L CA 1.921 56.687 54.840 -0.122 0.000 0.752 487 L CB -0.590 41.416 42.059 -0.089 0.000 0.899 487 L HN 0.255 nan 8.230 nan 0.000 0.433 488 A N -2.282 120.315 122.820 -0.371 0.000 2.044 488 A HA 0.146 4.465 4.320 -0.002 0.000 0.213 488 A C 2.046 179.424 177.584 -0.342 0.000 1.169 488 A CA 0.950 52.679 52.037 -0.514 0.000 0.724 488 A CB -0.032 18.209 19.000 -1.266 0.000 0.840 488 A HN 0.158 nan 8.150 nan 0.000 0.463 489 V N -1.497 118.264 119.914 -0.256 0.000 2.743 489 V HA 0.510 4.629 4.120 -0.002 0.000 0.237 489 V C 1.072 177.119 176.094 -0.078 0.000 1.113 489 V CA 0.924 63.144 62.300 -0.133 0.000 1.141 489 V CB 0.054 31.830 31.823 -0.079 0.000 0.873 489 V HN 0.832 nan 8.190 nan 0.000 0.486 490 G N -0.624 108.138 108.800 -0.064 0.000 2.368 490 G HA2 0.290 4.249 3.960 -0.002 0.000 0.303 490 G HA3 0.290 4.249 3.960 -0.002 0.000 0.303 490 G C -2.824 172.062 174.900 -0.022 0.000 1.590 490 G CA -0.140 44.938 45.100 -0.038 0.000 0.938 490 G HN -0.006 nan 8.290 nan 0.000 0.675 491 P HA -0.083 nan 4.420 nan 0.000 0.216 491 P C 1.111 178.416 177.300 0.008 0.000 1.153 491 P CA 1.717 64.813 63.100 -0.007 0.000 0.858 491 P CB 0.114 31.809 31.700 -0.008 0.000 0.789 492 N N -1.504 117.201 118.700 0.009 0.000 2.453 492 N HA 0.049 4.788 4.740 -0.002 0.000 0.270 492 N C 0.274 175.798 175.510 0.023 0.000 1.195 492 N CA -0.165 52.895 53.050 0.017 0.000 0.902 492 N CB -0.284 38.211 38.487 0.014 0.000 1.186 492 N HN -0.103 nan 8.380 nan 0.000 0.510 493 R N 0.455 120.970 120.500 0.026 0.000 2.700 493 R HA 0.172 4.511 4.340 -0.002 0.000 0.377 493 R C -0.178 176.154 176.300 0.053 0.000 1.130 493 R CA -0.289 55.831 56.100 0.032 0.000 1.055 493 R CB 0.016 30.329 30.300 0.021 0.000 1.387 493 R HN 0.274 nan 8.270 nan 0.000 0.580 494 V N -0.263 119.687 119.914 0.061 0.000 2.356 494 V HA 0.422 4.541 4.120 -0.002 0.000 0.258 494 V C 0.100 176.242 176.094 0.080 0.000 1.065 494 V CA -0.509 61.841 62.300 0.083 0.000 0.935 494 V CB 0.321 32.199 31.823 0.092 0.000 1.061 494 V HN 0.209 nan 8.190 nan 0.000 0.484 495 T N 1.129 115.735 114.554 0.085 0.000 2.824 495 T HA 0.724 5.073 4.350 -0.002 0.000 0.282 495 T C 0.960 175.717 174.700 0.095 0.000 0.993 495 T CA -0.013 62.135 62.100 0.080 0.000 0.967 495 T CB 1.302 70.207 68.868 0.062 0.000 0.960 495 T HN 1.952 nan 8.240 nan 0.000 0.441 496 G N 2.181 111.044 108.800 0.106 0.000 2.155 496 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.257 496 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.257 496 G C 0.688 175.718 174.900 0.217 0.000 0.983 496 G CA 0.990 46.168 45.100 0.130 0.000 0.676 496 G HN 1.486 nan 8.290 nan 0.000 0.528 497 T N -2.966 111.728 114.554 0.234 0.000 2.971 497 T HA 0.372 4.721 4.350 -0.002 0.000 0.252 497 T C 0.966 175.835 174.700 0.283 0.000 1.022 497 T CA -0.171 62.145 62.100 0.359 0.000 0.980 497 T CB 0.460 69.489 68.868 0.268 0.000 1.044 497 T HN 0.267 nan 8.240 nan 0.000 0.501 498 R N 1.748 122.354 120.500 0.177 0.000 2.370 498 R HA 0.335 4.674 4.340 -0.002 0.000 0.309 498 R C -0.502 175.841 176.300 0.072 0.000 1.059 498 R CA -0.160 56.003 56.100 0.104 0.000 0.981 498 R CB 0.133 30.481 30.300 0.081 0.000 0.972 498 R HN 0.429 nan 8.270 nan 0.000 0.437 499 L N 3.688 124.911 121.223 0.001 0.000 2.581 499 L HA 0.261 4.600 4.340 -0.002 0.000 0.241 499 L C 0.124 176.979 176.870 -0.024 0.000 1.265 499 L CA 0.037 54.847 54.840 -0.050 0.000 0.954 499 L CB 0.606 42.536 42.059 -0.215 0.000 1.269 499 L HN 0.482 nan 8.230 nan 0.000 0.475 500 E N 1.537 121.734 120.200 -0.006 0.000 2.462 500 E HA 0.178 4.527 4.350 -0.002 0.000 0.255 500 E C -0.568 176.014 176.600 -0.031 0.000 1.311 500 E CA -0.220 56.175 56.400 -0.007 0.000 1.629 500 E CB 0.382 30.087 29.700 0.007 0.000 1.510 500 E HN 0.383 nan 8.360 nan 0.000 0.438 501 N N -0.152 118.512 118.700 -0.060 0.000 2.484 501 N HA 0.510 5.249 4.740 -0.002 0.000 0.269 501 N C -1.198 174.184 175.510 -0.214 0.000 1.237 501 N CA 0.096 53.082 53.050 -0.106 0.000 0.838 501 N CB 1.891 40.330 38.487 -0.079 0.000 1.593 501 N HN 0.167 nan 8.380 nan 0.000 0.485 502 G N 0.582 109.217 108.800 -0.275 0.000 3.039 502 G HA2 0.023 3.982 3.960 -0.002 0.000 0.686 502 G HA3 0.023 3.982 3.960 -0.002 0.000 0.686 502 G C -0.862 173.662 174.900 -0.626 0.000 1.066 502 G CA -0.273 44.550 45.100 -0.462 0.000 0.774 502 G HN 0.778 nan 8.290 nan 0.000 0.591 503 S N 1.963 117.336 115.700 -0.545 0.000 2.404 503 S HA 0.580 5.049 4.470 -0.002 0.000 0.309 503 S C 1.293 175.545 174.600 -0.580 0.000 1.076 503 S CA -0.423 57.424 58.200 -0.588 0.000 1.095 503 S CB 0.268 63.109 63.200 -0.598 0.000 0.972 503 S HN 0.578 nan 8.310 nan 0.000 0.484 504 Y N 3.793 123.989 120.300 -0.174 0.000 2.314 504 Y HA -0.091 4.458 4.550 -0.002 0.000 0.293 504 Y C 2.590 178.434 175.900 -0.093 0.000 1.129 504 Y CA 1.716 59.784 58.100 -0.053 0.000 1.201 504 Y CB -0.509 37.991 38.460 0.067 0.000 0.999 504 Y HN 0.861 nan 8.280 nan 0.000 0.541 505 H N -2.308 116.774 119.070 0.020 0.000 2.457 505 H HA 0.054 4.609 4.556 -0.002 0.000 0.294 505 H C 2.315 177.582 175.328 -0.102 0.000 1.064 505 H CA 1.104 57.124 56.048 -0.047 0.000 1.330 505 H CB -1.058 28.712 29.762 0.014 0.000 1.395 505 H HN 0.350 nan 8.280 nan 0.000 0.541 506 G N 1.360 109.852 108.800 -0.513 0.000 2.418 506 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.217 506 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.217 506 G C 1.846 176.603 174.900 -0.238 0.000 1.158 506 G CA 1.460 46.346 45.100 -0.355 0.000 0.771 506 G HN 0.375 nan 8.290 nan 0.000 0.545 507 V N 1.626 121.424 119.914 -0.194 0.000 2.295 507 V HA -0.116 4.003 4.120 -0.002 0.000 0.246 507 V C 3.320 179.365 176.094 -0.082 0.000 1.049 507 V CA 1.993 64.230 62.300 -0.105 0.000 1.024 507 V CB -1.080 30.794 31.823 0.084 0.000 0.648 507 V HN 0.449 nan 8.190 nan 0.000 0.447 508 A N 0.193 122.886 122.820 -0.211 0.000 1.933 508 A HA -0.103 4.216 4.320 -0.002 0.000 0.218 508 A C 2.408 179.932 177.584 -0.101 0.000 1.175 508 A CA 2.078 53.898 52.037 -0.362 0.000 0.628 508 A CB -0.791 17.699 19.000 -0.849 0.000 0.814 508 A HN 0.599 nan 8.150 nan 0.000 0.444 509 A N -0.291 122.458 122.820 -0.117 0.000 1.972 509 A HA 0.183 4.502 4.320 -0.002 0.000 0.219 509 A C 2.426 179.955 177.584 -0.092 0.000 1.169 509 A CA 1.924 53.910 52.037 -0.084 0.000 0.635 509 A CB -0.794 18.149 19.000 -0.095 0.000 0.810 509 A HN 0.995 nan 8.150 nan 0.000 0.446 510 A N -1.123 121.592 122.820 -0.176 0.000 1.897 510 A HA 0.105 4.424 4.320 -0.002 0.000 0.215 510 A C 1.674 179.110 177.584 -0.245 0.000 1.181 510 A CA 1.186 53.059 52.037 -0.273 0.000 0.620 510 A CB -0.631 18.099 19.000 -0.452 0.000 0.821 510 A HN 0.444 nan 8.150 nan 0.000 0.443 511 F N -0.325 119.635 119.950 0.016 0.000 2.802 511 F HA 0.292 4.818 4.527 -0.002 0.000 0.300 511 F C 1.880 177.719 175.800 0.064 0.000 1.168 511 F CA 0.592 58.629 58.000 0.063 0.000 1.433 511 F CB -0.285 38.796 39.000 0.136 0.000 1.115 511 F HN 0.380 nan 8.300 nan 0.000 0.582 512 G N -0.148 108.746 108.800 0.158 0.000 2.131 512 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.223 512 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.223 512 G C 0.122 175.092 174.900 0.117 0.000 0.990 512 G CA -0.181 44.984 45.100 0.108 0.000 0.671 512 G HN 0.651 nan 8.290 nan 0.000 0.521 513 A N 0.095 122.999 122.820 0.140 0.000 2.325 513 A HA 0.661 4.980 4.320 -0.002 0.000 0.333 513 A C -0.106 177.516 177.584 0.062 0.000 1.155 513 A CA -0.413 51.714 52.037 0.150 0.000 0.814 513 A CB 0.734 19.903 19.000 0.282 0.000 1.206 513 A HN 0.174 nan 8.150 nan 0.000 0.482 514 D N 1.702 122.145 120.400 0.073 0.000 2.412 514 D HA 0.372 5.011 4.640 -0.002 0.000 0.257 514 D C 0.453 176.736 176.300 -0.028 0.000 1.217 514 D CA 0.937 54.921 54.000 -0.028 0.000 0.897 514 D CB 0.886 41.685 40.800 -0.001 0.000 1.132 514 D HN 0.628 nan 8.370 nan 0.000 0.493 515 G N 1.951 110.676 108.800 -0.125 0.000 2.370 515 G HA2 0.470 4.429 3.960 -0.002 0.000 0.317 515 G HA3 0.470 4.429 3.960 -0.002 0.000 0.317 515 G C -1.101 173.738 174.900 -0.102 0.000 1.162 515 G CA -0.606 44.496 45.100 0.003 0.000 0.922 515 G HN 0.333 nan 8.290 nan 0.000 0.454 516 Y N 0.852 121.198 120.300 0.076 0.000 2.364 516 Y HA 0.415 4.964 4.550 -0.002 0.000 0.340 516 Y C 0.043 175.882 175.900 -0.101 0.000 0.975 516 Y CA -1.033 57.076 58.100 0.014 0.000 1.089 516 Y CB 2.331 40.826 38.460 0.058 0.000 1.192 516 Y HN 0.643 nan 8.280 nan 0.000 0.454 517 H N 3.164 122.063 119.070 -0.284 0.000 2.587 517 H HA 0.651 5.206 4.556 -0.002 0.000 0.325 517 H C -1.210 174.039 175.328 -0.132 0.000 1.012 517 H CA -1.056 54.745 56.048 -0.411 0.000 1.213 517 H CB 0.779 29.976 29.762 -0.942 0.000 1.431 517 H HN 0.526 nan 8.280 nan 0.000 0.492 518 V N 2.308 122.027 119.914 -0.325 0.000 3.046 518 V HA 0.536 4.655 4.120 -0.002 0.000 0.316 518 V C -0.216 175.645 176.094 -0.387 0.000 1.104 518 V CA -0.619 61.536 62.300 -0.242 0.000 1.006 518 V CB 2.414 34.230 31.823 -0.012 0.000 1.058 518 V HN 0.890 nan 8.190 nan 0.000 0.440 519 D N -0.330 119.935 120.400 -0.225 0.000 2.615 519 D HA 0.206 4.845 4.640 -0.002 0.000 0.274 519 D C 0.104 176.360 176.300 -0.073 0.000 1.512 519 D CA 0.672 54.563 54.000 -0.181 0.000 0.803 519 D CB 0.072 40.758 40.800 -0.190 0.000 1.182 519 D HN 0.982 nan 8.370 nan 0.000 0.473 520 S N -1.553 114.132 115.700 -0.025 0.000 2.618 520 S HA 0.494 4.963 4.470 -0.002 0.000 0.277 520 S C 0.888 175.537 174.600 0.081 0.000 1.138 520 S CA -0.364 57.847 58.200 0.018 0.000 0.844 520 S CB 1.660 64.861 63.200 0.002 0.000 1.127 520 S HN -0.204 nan 8.310 nan 0.000 0.474 521 V N 1.443 121.399 119.914 0.070 0.000 2.233 521 V HA -0.176 3.943 4.120 -0.002 0.000 0.247 521 V C 2.772 178.895 176.094 0.048 0.000 1.050 521 V CA 2.520 64.870 62.300 0.082 0.000 1.010 521 V CB -1.048 30.776 31.823 0.001 0.000 0.637 521 V HN 1.044 nan 8.190 nan 0.000 0.444 522 E N 0.411 120.617 120.200 0.011 0.000 2.051 522 E HA -0.224 4.125 4.350 -0.002 0.000 0.192 522 E C 2.387 178.990 176.600 0.005 0.000 0.991 522 E CA 1.723 58.117 56.400 -0.009 0.000 0.799 522 E CB -0.115 29.576 29.700 -0.015 0.000 0.748 522 E HN 0.761 nan 8.360 nan 0.000 0.449 523 S N 0.263 115.983 115.700 0.034 0.000 2.368 523 S HA -0.182 4.287 4.470 -0.002 0.000 0.225 523 S C 1.943 176.600 174.600 0.095 0.000 1.030 523 S CA 0.986 59.215 58.200 0.049 0.000 0.999 523 S CB -0.675 62.547 63.200 0.036 0.000 0.844 523 S HN 0.398 nan 8.310 nan 0.000 0.459 524 F N 2.667 122.585 119.950 -0.053 0.000 2.113 524 F HA 0.064 4.590 4.527 -0.002 0.000 0.297 524 F C 2.698 178.460 175.800 -0.063 0.000 1.103 524 F CA 1.063 59.025 58.000 -0.064 0.000 1.248 524 F CB -1.220 37.749 39.000 -0.053 0.000 0.999 524 F HN 0.307 nan 8.300 nan 0.000 0.475 525 S N 0.112 115.655 115.700 -0.261 0.000 2.365 525 S HA -0.237 4.232 4.470 -0.002 0.000 0.225 525 S C 2.314 176.790 174.600 -0.206 0.000 1.039 525 S CA 1.612 59.626 58.200 -0.311 0.000 1.033 525 S CB -0.897 62.207 63.200 -0.159 0.000 0.887 525 S HN 0.565 nan 8.310 nan 0.000 0.447 526 A N 0.987 123.738 122.820 -0.116 0.000 1.897 526 A HA 0.287 4.606 4.320 -0.002 0.000 0.215 526 A C 2.431 179.941 177.584 -0.123 0.000 1.181 526 A CA 1.696 53.683 52.037 -0.083 0.000 0.620 526 A CB -1.275 17.710 19.000 -0.025 0.000 0.821 526 A HN 0.705 nan 8.150 nan 0.000 0.443 527 A N -0.365 122.376 122.820 -0.131 0.000 1.877 527 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 527 A C 2.120 179.411 177.584 -0.488 0.000 1.186 527 A CA 1.798 53.653 52.037 -0.303 0.000 0.620 527 A CB -0.646 18.249 19.000 -0.175 0.000 0.822 527 A HN 0.647 nan 8.150 nan 0.000 0.443 528 L N -0.258 120.737 121.223 -0.380 0.000 2.046 528 L HA -0.049 4.290 4.340 -0.002 0.000 0.208 528 L C 2.664 179.279 176.870 -0.424 0.000 1.077 528 L CA 2.131 56.721 54.840 -0.416 0.000 0.747 528 L CB -0.848 40.892 42.059 -0.532 0.000 0.896 528 L HN 0.351 nan 8.230 nan 0.000 0.432 529 A N -1.320 121.296 122.820 -0.341 0.000 1.933 529 A HA -0.243 4.076 4.320 -0.002 0.000 0.218 529 A C 2.214 179.652 177.584 -0.244 0.000 1.175 529 A CA 1.765 53.646 52.037 -0.259 0.000 0.628 529 A CB -0.500 18.429 19.000 -0.119 0.000 0.814 529 A HN 0.644 nan 8.150 nan 0.000 0.444 530 Q N -0.821 118.842 119.800 -0.228 0.000 2.123 530 Q HA -0.035 4.304 4.340 -0.002 0.000 0.199 530 Q C 2.468 178.295 176.000 -0.288 0.000 0.966 530 Q CA 1.093 56.768 55.803 -0.213 0.000 0.845 530 Q CB -0.341 28.423 28.738 0.043 0.000 0.907 530 Q HN 0.686 nan 8.270 nan 0.000 0.439 531 A N 1.055 123.730 122.820 -0.242 0.000 1.865 531 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 531 A C 1.978 179.496 177.584 -0.110 0.000 1.191 531 A CA 1.139 53.117 52.037 -0.099 0.000 0.623 531 A CB -0.692 18.197 19.000 -0.185 0.000 0.826 531 A HN 0.262 nan 8.150 nan 0.000 0.444 532 L N -0.534 120.570 121.223 -0.200 0.000 2.079 532 L HA -0.205 4.134 4.340 -0.002 0.000 0.210 532 L C 2.974 179.747 176.870 -0.162 0.000 1.081 532 L CA 2.071 56.807 54.840 -0.172 0.000 0.752 532 L CB -1.703 40.215 42.059 -0.236 0.000 0.896 532 L HN 0.485 nan 8.230 nan 0.000 0.433 533 A N -1.271 121.388 122.820 -0.268 0.000 1.972 533 A HA -0.143 4.176 4.320 -0.002 0.000 0.219 533 A C 0.709 178.135 177.584 -0.263 0.000 1.169 533 A CA 0.691 52.550 52.037 -0.297 0.000 0.635 533 A CB -0.733 18.035 19.000 -0.388 0.000 0.810 533 A HN 0.551 nan 8.150 nan 0.000 0.446 534 H N -1.783 117.305 119.070 0.030 0.000 2.502 534 H HA 0.452 5.007 4.556 -0.002 0.000 0.338 534 H C -0.153 175.201 175.328 0.044 0.000 1.155 534 H CA -0.638 55.438 56.048 0.045 0.000 1.237 534 H CB 0.560 30.364 29.762 0.069 0.000 1.534 534 H HN 0.259 nan 8.280 nan 0.000 0.523 535 N N 2.054 120.857 118.700 0.172 0.000 3.188 535 N HA 0.156 4.895 4.740 -0.002 0.000 0.279 535 N C -1.097 174.488 175.510 0.125 0.000 1.213 535 N CA -0.406 52.713 53.050 0.115 0.000 1.138 535 N CB -0.086 38.451 38.487 0.082 0.000 1.417 535 N HN 0.515 nan 8.380 nan 0.000 0.526 536 R N 1.130 121.720 120.500 0.149 0.000 2.643 536 R HA 0.416 4.755 4.340 -0.002 0.000 0.269 536 R C -2.717 173.683 176.300 0.167 0.000 1.037 536 R CA -1.677 54.509 56.100 0.144 0.000 0.894 536 R CB 1.863 32.242 30.300 0.131 0.000 1.238 536 R HN 0.311 nan 8.270 nan 0.000 0.459 537 P HA 0.122 nan 4.420 nan 0.000 0.266 537 P C -1.313 176.149 177.300 0.269 0.000 1.195 537 P CA -0.032 63.198 63.100 0.218 0.000 0.768 537 P CB 1.043 32.891 31.700 0.246 0.000 0.838 538 A N 2.498 125.502 122.820 0.305 0.000 2.486 538 A HA 0.516 4.835 4.320 -0.002 0.000 0.300 538 A C -1.050 176.773 177.584 0.398 0.000 1.048 538 A CA -0.582 51.667 52.037 0.354 0.000 0.696 538 A CB 1.324 20.544 19.000 0.368 0.000 1.278 538 A HN 0.647 nan 8.150 nan 0.000 0.405 539 C N 3.224 122.748 119.300 0.372 0.000 2.303 539 C HA 0.791 5.250 4.460 -0.002 0.000 0.326 539 C C -0.530 174.671 174.990 0.352 0.000 1.285 539 C CA -0.545 58.671 59.018 0.330 0.000 1.675 539 C CB -1.062 26.696 27.740 0.031 0.000 2.289 539 C HN 0.602 nan 8.230 nan 0.000 0.512 540 I N 6.361 127.091 120.570 0.266 0.000 2.428 540 I HA 0.231 4.399 4.170 -0.002 0.000 0.279 540 I C -0.135 176.069 176.117 0.147 0.000 1.040 540 I CA -0.124 61.310 61.300 0.223 0.000 1.171 540 I CB 0.412 38.506 38.000 0.157 0.000 1.312 540 I HN 0.634 nan 8.210 nan 0.000 0.470 541 N N 5.969 124.784 118.700 0.191 0.000 2.406 541 N HA 0.110 4.849 4.740 -0.002 0.000 0.265 541 N C -0.828 174.782 175.510 0.166 0.000 1.203 541 N CA 0.093 53.281 53.050 0.230 0.000 0.945 541 N CB 0.838 39.543 38.487 0.363 0.000 1.165 541 N HN 0.240 nan 8.380 nan 0.000 0.485 542 V N 2.898 122.798 119.914 -0.024 0.000 2.333 542 V HA 0.447 4.566 4.120 -0.002 0.000 0.274 542 V C 0.480 176.514 176.094 -0.099 0.000 1.028 542 V CA -1.260 60.900 62.300 -0.235 0.000 0.851 542 V CB 0.734 32.199 31.823 -0.596 0.000 1.000 542 V HN 0.725 nan 8.190 nan 0.000 0.456 543 A N 5.244 128.004 122.820 -0.101 0.000 2.444 543 A HA 0.589 4.908 4.320 -0.002 0.000 0.273 543 A C -0.271 177.266 177.584 -0.079 0.000 1.136 543 A CA 0.070 52.098 52.037 -0.014 0.000 0.799 543 A CB 0.523 19.498 19.000 -0.041 0.000 1.081 543 A HN 0.780 nan 8.150 nan 0.000 0.509 544 V N 2.268 122.148 119.914 -0.057 0.000 3.040 544 V HA 0.757 4.876 4.120 -0.002 0.000 0.312 544 V C 0.447 176.495 176.094 -0.076 0.000 1.115 544 V CA -0.172 62.073 62.300 -0.092 0.000 0.998 544 V CB 2.112 33.858 31.823 -0.128 0.000 1.042 544 V HN 1.364 nan 8.190 nan 0.000 0.433 545 A N 3.609 126.357 122.820 -0.120 0.000 2.407 545 A HA 0.501 4.820 4.320 -0.002 0.000 0.248 545 A C 0.532 178.062 177.584 -0.090 0.000 1.082 545 A CA 0.289 52.258 52.037 -0.113 0.000 0.785 545 A CB 0.570 19.459 19.000 -0.186 0.000 1.020 545 A HN 1.136 nan 8.150 nan 0.000 0.489 546 L N 0.638 121.853 121.223 -0.015 0.000 2.388 546 L HA 0.079 4.418 4.340 -0.002 0.000 0.209 546 L C 1.612 178.590 176.870 0.180 0.000 1.061 546 L CA 0.960 55.837 54.840 0.062 0.000 0.834 546 L CB -0.221 41.881 42.059 0.072 0.000 1.029 546 L HN 0.885 nan 8.230 nan 0.000 0.473 547 D N 0.599 121.065 120.400 0.110 0.000 2.144 547 D HA -0.063 4.576 4.640 -0.002 0.000 0.199 547 D C -1.323 175.044 176.300 0.113 0.000 0.984 547 D CA 0.063 54.130 54.000 0.112 0.000 0.834 547 D CB -2.183 38.642 40.800 0.042 0.000 0.955 547 D HN 0.366 nan 8.370 nan 0.000 0.465 548 P HA 0.150 nan 4.420 nan 0.000 0.269 548 P C -0.063 177.490 177.300 0.421 0.000 1.215 548 P CA 0.052 63.265 63.100 0.189 0.000 0.780 548 P CB 0.959 32.640 31.700 -0.031 0.000 0.898 549 I N 3.617 124.404 120.570 0.362 0.000 2.354 549 I HA 0.239 4.408 4.170 -0.002 0.000 0.286 549 I C -1.997 174.120 176.117 0.000 0.000 1.007 549 I CA -2.650 58.775 61.300 0.208 0.000 1.167 549 I CB 1.695 39.704 38.000 0.016 0.000 1.320 549 I HN 0.154 nan 8.210 nan 0.000 0.458 550 P HA 0.128 nan 4.420 nan 0.000 0.268 550 P C -2.292 174.701 177.300 -0.511 0.000 1.204 550 P CA -1.234 61.210 63.100 -1.094 0.000 0.768 550 P CB 0.343 31.305 31.700 -1.230 0.000 0.842 551 P HA -0.185 nan 4.420 nan 0.000 0.217 551 P C 1.407 178.569 177.300 -0.229 0.000 1.148 551 P CA 1.539 64.486 63.100 -0.255 0.000 0.828 551 P CB 0.029 31.602 31.700 -0.212 0.000 0.783 552 E N -0.244 119.812 120.200 -0.239 0.000 2.110 552 E HA -0.213 4.136 4.350 -0.002 0.000 0.193 552 E C 1.996 178.517 176.600 -0.131 0.000 0.988 552 E CA 0.991 57.283 56.400 -0.179 0.000 0.804 552 E CB -0.545 29.084 29.700 -0.118 0.000 0.745 552 E HN 0.472 nan 8.360 nan 0.000 0.458 553 E N 0.480 120.603 120.200 -0.128 0.000 2.110 553 E HA -0.123 4.226 4.350 -0.002 0.000 0.193 553 E C 0.516 177.098 176.600 -0.031 0.000 0.988 553 E CA 0.358 56.728 56.400 -0.050 0.000 0.804 553 E CB 0.047 29.736 29.700 -0.018 0.000 0.745 553 E HN 0.131 nan 8.360 nan 0.000 0.458 554 L N 2.108 123.292 121.223 -0.066 0.000 2.391 554 L HA 0.294 4.633 4.340 -0.002 0.000 0.249 554 L C -0.220 176.619 176.870 -0.051 0.000 1.308 554 L CA 0.102 54.915 54.840 -0.043 0.000 1.209 554 L CB -0.174 41.859 42.059 -0.044 0.000 1.401 554 L HN 0.133 nan 8.230 nan 0.000 0.416 555 I N 0.000 120.554 120.570 -0.027 0.000 2.984 555 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 555 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 555 I CB 0.000 37.929 38.000 -0.118 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494