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 1vne_1_A DATA FIRST_RESID 4 DATA SEQUENCE VTPIPLPKID EPEEYNTNYI LFWNHVGLEL NRVTHTVGGP LTGPPLSARA DATA SEQUENCE LGMLHLAIHD AYFSICPPTD FTTFLSPDTE NAAYRLPSPN GANDARQAVA DATA SEQUENCE GAALKMLSSL YMKPVEQPNP NPGANISDNA YAQLGLVLDR SVLEAPGGVD DATA SEQUENCE RESASFMFGE DVADVFFALL NDPRGASQEG YHPTPGRYKF DDEPTHPVVL DATA SEQUENCE IPVDPNNPNG PKMPFRQYHA PFYGKTTKRF ATQSEHFLAD PPGLRSNADE DATA SEQUENCE TAEYDDAVRV AIAMGGAQAL NSTKRSPWQT AQGLYWAYAG SNLIGTPPRF DATA SEQUENCE YNQIVRRIAV TYKKEEDLAN SEVNNADFAR LFALVDVACT DAGIFSWKEK DATA SEQUENCE WEFEFWRPLS GVRDDGRPDH GDPFWLTLGA PATNTNDIPF KPPFPAYPSG DATA SEQUENCE HATFGGAVFQ MVRRYYNGRV GTWKDDEPDN IAIDMMISEE LNGVNRDLRQ DATA SEQUENCE PYDPTAPIED QPGIVRTRIV RHFDSAWELM FENAISRIFL GVHWRFDAAA DATA SEQUENCE ARDILIPTTT KDVYAVDNNG ATVFQNVEDI RYTTRGTRED EEGLFPIGGV DATA SEQUENCE PLGIEIADEI FNNGLKPTPP EIQP 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.096 176.094 0.004 0.000 1.182 4 V CA 0.000 62.304 62.300 0.007 0.000 1.235 4 V CB 0.000 31.832 31.823 0.015 0.000 1.184 5 T N 6.538 121.090 114.554 -0.002 0.000 2.761 5 T HA 0.379 4.726 4.350 -0.005 0.000 0.296 5 T C -2.497 172.202 174.700 -0.002 0.000 0.934 5 T CA -0.785 61.312 62.100 -0.005 0.000 1.091 5 T CB 1.139 69.998 68.868 -0.015 0.000 0.896 5 T HN 0.381 nan 8.240 nan 0.000 0.515 6 P HA 0.212 nan 4.420 nan 0.000 0.271 6 P C -0.084 177.220 177.300 0.007 0.000 1.220 6 P CA -0.378 62.725 63.100 0.006 0.000 0.768 6 P CB 0.290 31.995 31.700 0.008 0.000 0.848 7 I N 5.887 126.467 120.570 0.015 0.000 2.598 7 I HA 0.048 4.215 4.170 -0.005 0.000 0.284 7 I C -1.794 174.343 176.117 0.032 0.000 1.140 7 I CA -1.595 59.725 61.300 0.034 0.000 1.420 7 I CB 0.207 38.243 38.000 0.060 0.000 1.387 7 I HN 0.176 nan 8.210 nan 0.000 0.553 8 P HA 0.233 nan 4.420 nan 0.000 0.274 8 P C -0.790 176.532 177.300 0.037 0.000 1.291 8 P CA -0.105 63.012 63.100 0.029 0.000 0.815 8 P CB 0.306 32.020 31.700 0.023 0.000 0.897 9 L N 6.324 127.558 121.223 0.019 0.000 2.292 9 L HA 0.400 4.737 4.340 -0.005 0.000 0.284 9 L C -1.454 175.417 176.870 0.000 0.000 1.065 9 L CA -2.001 52.843 54.840 0.006 0.000 0.806 9 L CB 0.462 42.517 42.059 -0.007 0.000 1.175 9 L HN 0.236 nan 8.230 nan 0.000 0.431 10 P HA 0.074 nan 4.420 nan 0.000 0.271 10 P C -0.775 176.516 177.300 -0.016 0.000 1.218 10 P CA -0.622 62.467 63.100 -0.018 0.000 0.780 10 P CB 0.863 32.540 31.700 -0.037 0.000 0.901 11 K N 2.328 122.720 120.400 -0.014 0.000 2.485 11 K HA 0.108 4.425 4.320 -0.005 0.000 0.277 11 K C -0.178 176.412 176.600 -0.017 0.000 0.990 11 K CA 0.303 56.583 56.287 -0.012 0.000 0.994 11 K CB -0.366 32.123 32.500 -0.017 0.000 0.906 11 K HN 0.353 nan 8.250 nan 0.000 0.488 12 I N 3.354 123.917 120.570 -0.011 0.000 2.396 12 I HA 0.066 4.233 4.170 -0.005 0.000 0.292 12 I C 0.053 176.148 176.117 -0.038 0.000 0.999 12 I CA -0.386 60.906 61.300 -0.012 0.000 1.310 12 I CB 1.201 39.210 38.000 0.016 0.000 1.404 12 I HN 0.564 nan 8.210 nan 0.000 0.496 13 D N 7.506 127.888 120.400 -0.030 0.000 2.470 13 D HA 0.147 4.784 4.640 -0.005 0.000 0.226 13 D C -0.150 176.103 176.300 -0.078 0.000 1.196 13 D CA 0.606 54.582 54.000 -0.040 0.000 0.979 13 D CB 0.331 41.125 40.800 -0.010 0.000 1.059 13 D HN 0.529 nan 8.370 nan 0.000 0.515 14 E N 2.149 122.257 120.200 -0.155 0.000 2.388 14 E HA 0.261 4.608 4.350 -0.005 0.000 0.282 14 E C -2.886 173.471 176.600 -0.405 0.000 1.026 14 E CA -1.682 54.520 56.400 -0.330 0.000 0.820 14 E CB 1.565 31.054 29.700 -0.352 0.000 1.226 14 E HN -0.088 nan 8.360 nan 0.000 0.432 15 P HA 0.007 nan 4.420 nan 0.000 0.264 15 P C 0.078 177.210 177.300 -0.281 0.000 1.193 15 P CA 0.317 63.212 63.100 -0.343 0.000 0.763 15 P CB 0.484 32.048 31.700 -0.227 0.000 0.810 16 E N 2.940 123.066 120.200 -0.124 0.000 2.333 16 E HA -0.242 4.105 4.350 -0.005 0.000 0.198 16 E C 1.019 177.625 176.600 0.011 0.000 1.007 16 E CA 0.950 57.308 56.400 -0.071 0.000 0.845 16 E CB -0.305 29.365 29.700 -0.051 0.000 0.766 16 E HN 0.632 nan 8.360 nan 0.000 0.507 17 E N 0.320 120.563 120.200 0.072 0.000 2.204 17 E HA -0.248 4.099 4.350 -0.005 0.000 0.195 17 E C 1.288 178.024 176.600 0.227 0.000 0.990 17 E CA 0.870 57.353 56.400 0.139 0.000 0.821 17 E CB -0.550 29.245 29.700 0.158 0.000 0.750 17 E HN 0.265 nan 8.360 nan 0.000 0.477 18 Y N 1.959 122.255 120.300 -0.007 0.000 2.114 18 Y HA -0.188 4.359 4.550 -0.005 0.000 0.282 18 Y C 1.835 177.729 175.900 -0.009 0.000 1.165 18 Y CA 1.258 59.349 58.100 -0.014 0.000 1.148 18 Y CB -0.738 37.694 38.460 -0.046 0.000 0.972 18 Y HN 0.129 nan 8.280 nan 0.000 0.504 19 N N -0.306 118.482 118.700 0.146 0.000 2.575 19 N HA -0.068 4.669 4.740 -0.005 0.000 0.192 19 N C 1.532 177.092 175.510 0.083 0.000 1.200 19 N CA 1.102 54.213 53.050 0.102 0.000 0.897 19 N CB -0.496 38.012 38.487 0.035 0.000 0.990 19 N HN 0.544 nan 8.380 nan 0.000 0.449 20 T N -3.305 111.298 114.554 0.081 0.000 3.067 20 T HA -0.015 4.332 4.350 -0.005 0.000 0.261 20 T C 0.751 175.509 174.700 0.096 0.000 1.110 20 T CA -0.030 62.105 62.100 0.058 0.000 1.113 20 T CB 0.205 69.112 68.868 0.064 0.000 0.917 20 T HN 0.031 nan 8.240 nan 0.000 0.499 21 N N 0.834 119.606 118.700 0.119 0.000 2.434 21 N HA 0.069 4.806 4.740 -0.005 0.000 0.272 21 N C 0.758 176.357 175.510 0.148 0.000 1.040 21 N CA -0.472 52.650 53.050 0.121 0.000 0.956 21 N CB 1.039 39.627 38.487 0.168 0.000 1.108 21 N HN 0.472 nan 8.380 nan 0.000 0.481 22 Y N 3.803 124.195 120.300 0.154 0.000 2.421 22 Y HA 0.010 4.557 4.550 -0.006 0.000 0.292 22 Y C 1.615 177.696 175.900 0.303 0.000 1.136 22 Y CA 0.388 58.610 58.100 0.203 0.000 1.255 22 Y CB -0.068 38.540 38.460 0.246 0.000 0.991 22 Y HN 0.381 nan 8.280 nan 0.000 0.552 23 I N 0.898 121.472 120.570 0.008 0.000 2.233 23 I HA -0.204 3.963 4.170 -0.005 0.000 0.243 23 I C 2.379 178.544 176.117 0.080 0.000 1.093 23 I CA 1.122 62.481 61.300 0.098 0.000 1.380 23 I CB -1.097 36.903 38.000 -0.000 0.000 1.067 23 I HN 0.386 nan 8.210 nan 0.000 0.413 24 L N -0.293 120.936 121.223 0.011 0.000 2.083 24 L HA -0.235 4.102 4.340 -0.005 0.000 0.209 24 L C 2.651 179.516 176.870 -0.008 0.000 1.083 24 L CA 1.236 56.017 54.840 -0.100 0.000 0.752 24 L CB -0.726 41.277 42.059 -0.093 0.000 0.899 24 L HN 0.117 nan 8.230 nan 0.000 0.433 25 F N 0.059 119.960 119.950 -0.082 0.000 2.095 25 F HA -0.253 4.270 4.527 -0.006 0.000 0.298 25 F C 2.037 177.718 175.800 -0.199 0.000 1.104 25 F CA 1.543 59.433 58.000 -0.184 0.000 1.232 25 F CB -0.507 38.285 39.000 -0.346 0.000 0.987 25 F HN -0.018 nan 8.300 nan 0.000 0.475 26 W N 0.807 122.109 121.300 0.003 0.000 2.402 26 W HA -0.154 4.503 4.660 -0.005 0.000 0.286 26 W C 2.627 179.029 176.519 -0.194 0.000 1.221 26 W CA 1.077 58.344 57.345 -0.129 0.000 1.257 26 W CB -0.673 28.794 29.460 0.012 0.000 1.120 26 W HN 0.129 nan 8.180 nan 0.000 0.551 27 N N 0.287 119.007 118.700 0.034 0.000 2.106 27 N HA -0.276 4.461 4.740 -0.005 0.000 0.188 27 N C 1.750 177.235 175.510 -0.042 0.000 1.029 27 N CA 1.888 54.951 53.050 0.023 0.000 0.848 27 N CB -0.481 37.871 38.487 -0.226 0.000 1.007 27 N HN 0.272 nan 8.380 nan 0.000 0.423 28 H N 0.780 119.726 119.070 -0.207 0.000 2.353 28 H HA -0.060 4.493 4.556 -0.005 0.000 0.298 28 H C 2.041 177.212 175.328 -0.262 0.000 1.103 28 H CA 2.203 58.114 56.048 -0.228 0.000 1.293 28 H CB -0.334 29.260 29.762 -0.280 0.000 1.372 28 H HN 0.025 nan 8.280 nan 0.000 0.501 29 V N 0.371 119.971 119.914 -0.524 0.000 2.343 29 V HA -0.207 3.910 4.120 -0.005 0.000 0.247 29 V C 2.780 178.715 176.094 -0.265 0.000 1.051 29 V CA 1.832 63.853 62.300 -0.465 0.000 1.036 29 V CB -1.242 30.404 31.823 -0.295 0.000 0.654 29 V HN 0.757 nan 8.190 nan 0.000 0.451 30 G N -0.122 108.599 108.800 -0.131 0.000 2.422 30 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.218 30 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.218 30 G C 1.535 176.381 174.900 -0.091 0.000 1.146 30 G CA 0.852 45.920 45.100 -0.054 0.000 0.769 30 G HN 0.479 nan 8.290 nan 0.000 0.547 31 L N 0.071 121.220 121.223 -0.124 0.000 2.141 31 L HA 0.004 4.341 4.340 -0.005 0.000 0.209 31 L C 2.851 179.622 176.870 -0.164 0.000 1.094 31 L CA 0.784 55.561 54.840 -0.105 0.000 0.763 31 L CB -0.387 41.631 42.059 -0.068 0.000 0.908 31 L HN 0.145 nan 8.230 nan 0.000 0.437 32 E N 0.625 120.647 120.200 -0.296 0.000 2.072 32 E HA -0.155 4.192 4.350 -0.005 0.000 0.191 32 E C 2.388 178.847 176.600 -0.234 0.000 0.985 32 E CA 1.076 57.304 56.400 -0.287 0.000 0.801 32 E CB -0.212 29.245 29.700 -0.405 0.000 0.750 32 E HN 0.482 nan 8.360 nan 0.000 0.452 33 L N 1.652 122.696 121.223 -0.298 0.000 2.083 33 L HA -0.178 4.158 4.340 -0.005 0.000 0.209 33 L C 2.492 179.169 176.870 -0.321 0.000 1.083 33 L CA 0.904 55.470 54.840 -0.457 0.000 0.752 33 L CB -0.546 41.023 42.059 -0.816 0.000 0.899 33 L HN 0.161 nan 8.230 nan 0.000 0.433 34 N N 1.599 120.221 118.700 -0.132 0.000 2.043 34 N HA -0.244 4.493 4.740 -0.005 0.000 0.193 34 N C 2.030 177.621 175.510 0.135 0.000 1.037 34 N CA 2.103 55.195 53.050 0.069 0.000 0.851 34 N CB -0.016 38.504 38.487 0.055 0.000 1.027 34 N HN 0.424 nan 8.380 nan 0.000 0.422 35 R N 0.072 120.578 120.500 0.011 0.000 2.115 35 R HA 0.037 4.374 4.340 -0.005 0.000 0.226 35 R C 2.199 178.495 176.300 -0.007 0.000 1.100 35 R CA 1.100 57.200 56.100 0.000 0.000 0.980 35 R CB -0.572 29.690 30.300 -0.063 0.000 0.875 35 R HN -0.012 nan 8.270 nan 0.000 0.445 36 V N 1.104 120.983 119.914 -0.058 0.000 2.358 36 V HA -0.209 3.908 4.120 -0.005 0.000 0.246 36 V C 2.459 178.518 176.094 -0.059 0.000 1.047 36 V CA 2.286 64.546 62.300 -0.068 0.000 1.035 36 V CB -0.514 31.246 31.823 -0.105 0.000 0.658 36 V HN 0.530 nan 8.190 nan 0.000 0.452 37 T N -0.965 113.543 114.554 -0.077 0.000 2.833 37 T HA -0.228 4.119 4.350 -0.005 0.000 0.269 37 T C 1.620 176.216 174.700 -0.173 0.000 1.054 37 T CA 1.799 63.838 62.100 -0.102 0.000 1.135 37 T CB -0.303 68.547 68.868 -0.030 0.000 0.869 37 T HN 0.698 nan 8.240 nan 0.000 0.466 38 H N -0.376 118.672 119.070 -0.037 0.000 2.551 38 H HA 0.188 4.741 4.556 -0.005 0.000 0.266 38 H C 2.265 177.554 175.328 -0.065 0.000 0.977 38 H CA 1.191 57.212 56.048 -0.045 0.000 1.163 38 H CB 0.260 29.988 29.762 -0.057 0.000 1.381 38 H HN 0.282 nan 8.280 nan 0.000 0.581 39 T N -0.744 113.817 114.554 0.012 0.000 3.031 39 T HA -0.029 4.317 4.350 -0.005 0.000 0.254 39 T C 1.932 176.640 174.700 0.013 0.000 1.060 39 T CA 1.043 63.132 62.100 -0.018 0.000 1.135 39 T CB 0.077 68.924 68.868 -0.034 0.000 0.896 39 T HN 0.340 nan 8.240 nan 0.000 0.472 40 V N -1.251 118.655 119.914 -0.013 0.000 3.660 40 V HA 0.607 4.724 4.120 -0.005 0.000 0.276 40 V C 1.251 177.311 176.094 -0.057 0.000 1.317 40 V CA 0.163 62.450 62.300 -0.023 0.000 1.097 40 V CB -0.735 31.065 31.823 -0.038 0.000 0.863 40 V HN 0.481 nan 8.190 nan 0.000 0.438 41 G N 0.235 108.992 108.800 -0.073 0.000 2.289 41 G HA2 -0.042 3.914 3.960 -0.005 0.000 0.280 41 G HA3 -0.042 3.914 3.960 -0.005 0.000 0.280 41 G C 0.418 175.235 174.900 -0.138 0.000 1.089 41 G CA 0.279 45.325 45.100 -0.090 0.000 0.939 41 G HN 1.245 nan 8.290 nan 0.000 0.499 42 G N 0.023 108.727 108.800 -0.160 0.000 2.543 42 G HA2 0.840 4.797 3.960 -0.005 0.000 0.267 42 G HA3 0.840 4.797 3.960 -0.005 0.000 0.267 42 G C -1.725 173.095 174.900 -0.134 0.000 1.406 42 G CA -0.498 44.486 45.100 -0.193 0.000 1.048 42 G HN 0.383 nan 8.290 nan 0.000 0.548 43 P HA 0.275 nan 4.420 nan 0.000 0.276 43 P C 0.039 177.292 177.300 -0.078 0.000 1.252 43 P CA -0.163 62.902 63.100 -0.057 0.000 0.802 43 P CB 1.102 32.790 31.700 -0.019 0.000 1.035 44 L N -2.538 118.620 121.223 -0.108 0.000 3.608 44 L HA -0.178 4.159 4.340 -0.005 0.000 0.422 44 L C 0.666 177.491 176.870 -0.075 0.000 1.260 44 L CA 0.461 55.236 54.840 -0.109 0.000 0.889 44 L CB -2.802 39.141 42.059 -0.193 0.000 1.821 44 L HN 0.557 nan 8.230 nan 0.000 0.884 45 T N -2.169 112.318 114.554 -0.111 0.000 2.881 45 T HA 0.742 5.089 4.350 -0.005 0.000 0.278 45 T C 0.769 175.539 174.700 0.116 0.000 0.982 45 T CA 0.002 62.007 62.100 -0.159 0.000 0.989 45 T CB 2.092 70.818 68.868 -0.237 0.000 1.058 45 T HN 1.369 nan 8.240 nan 0.000 0.529 46 G N 1.622 110.593 108.800 0.285 0.000 2.712 46 G HA2 -0.035 3.922 3.960 -0.005 0.000 0.686 46 G HA3 -0.035 3.922 3.960 -0.005 0.000 0.686 46 G C -2.381 172.503 174.900 -0.027 0.000 1.321 46 G CA -0.471 44.628 45.100 -0.002 0.000 0.813 46 G HN 0.607 nan 8.290 nan 0.000 0.599 47 P HA -0.039 nan 4.420 nan 0.000 0.211 47 P C -0.618 176.566 177.300 -0.193 0.000 1.179 47 P CA 2.925 65.961 63.100 -0.108 0.000 0.910 47 P CB -0.406 31.356 31.700 0.105 0.000 0.785 48 P HA -0.123 nan 4.420 nan 0.000 0.216 48 P C 1.668 178.709 177.300 -0.431 0.000 1.153 48 P CA 1.611 64.378 63.100 -0.554 0.000 0.848 48 P CB -0.423 30.547 31.700 -1.215 0.000 0.787 49 L N 0.283 121.229 121.223 -0.461 0.000 2.156 49 L HA -0.084 4.253 4.340 -0.005 0.000 0.208 49 L C 2.930 179.709 176.870 -0.150 0.000 1.095 49 L CA 1.768 56.419 54.840 -0.315 0.000 0.770 49 L CB -1.044 40.838 42.059 -0.296 0.000 0.914 49 L HN 0.097 nan 8.230 nan 0.000 0.439 50 S N 0.129 115.769 115.700 -0.099 0.000 2.402 50 S HA -0.121 4.346 4.470 -0.005 0.000 0.229 50 S C 2.122 176.678 174.600 -0.074 0.000 1.021 50 S CA 0.777 58.966 58.200 -0.018 0.000 0.974 50 S CB -0.299 62.938 63.200 0.062 0.000 0.800 50 S HN 0.336 nan 8.310 nan 0.000 0.484 51 A N 2.362 125.090 122.820 -0.154 0.000 1.872 51 A HA 0.054 4.371 4.320 -0.005 0.000 0.214 51 A C 2.324 179.834 177.584 -0.124 0.000 1.187 51 A CA 1.263 53.196 52.037 -0.172 0.000 0.614 51 A CB -0.759 18.126 19.000 -0.192 0.000 0.826 51 A HN 0.534 nan 8.150 nan 0.000 0.442 52 R N -0.308 120.113 120.500 -0.131 0.000 2.103 52 R HA -0.173 4.164 4.340 -0.005 0.000 0.242 52 R C 2.297 178.607 176.300 0.017 0.000 1.142 52 R CA 1.528 57.557 56.100 -0.118 0.000 0.960 52 R CB -0.414 29.861 30.300 -0.042 0.000 0.858 52 R HN 0.463 nan 8.270 nan 0.000 0.439 53 A N 0.890 123.717 122.820 0.011 0.000 1.908 53 A HA -0.161 4.156 4.320 -0.005 0.000 0.218 53 A C 2.180 179.819 177.584 0.092 0.000 1.181 53 A CA 1.351 53.419 52.037 0.053 0.000 0.627 53 A CB -0.537 18.490 19.000 0.046 0.000 0.818 53 A HN 0.352 nan 8.150 nan 0.000 0.445 54 L N -0.927 120.344 121.223 0.079 0.000 2.156 54 L HA -0.064 4.273 4.340 -0.005 0.000 0.208 54 L C 2.786 179.751 176.870 0.157 0.000 1.095 54 L CA 0.844 55.761 54.840 0.128 0.000 0.770 54 L CB -0.655 41.464 42.059 0.100 0.000 0.914 54 L HN 0.500 nan 8.230 nan 0.000 0.439 55 G N -0.284 108.572 108.800 0.094 0.000 2.402 55 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.216 55 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.216 55 G C 1.633 176.663 174.900 0.217 0.000 1.162 55 G CA 0.501 45.684 45.100 0.138 0.000 0.777 55 G HN 0.167 nan 8.290 nan 0.000 0.539 56 M N -0.334 119.411 119.600 0.242 0.000 2.099 56 M HA 0.043 4.520 4.480 -0.005 0.000 0.262 56 M C 2.431 178.695 176.300 -0.060 0.000 1.067 56 M CA 0.957 56.316 55.300 0.099 0.000 1.124 56 M CB -0.377 32.314 32.600 0.151 0.000 1.353 56 M HN 0.267 nan 8.290 nan 0.000 0.410 57 L N -0.033 121.178 121.223 -0.020 0.000 1.989 57 L HA -0.254 4.083 4.340 -0.005 0.000 0.211 57 L C 2.415 179.130 176.870 -0.259 0.000 1.071 57 L CA 2.039 56.799 54.840 -0.133 0.000 0.749 57 L CB -0.914 41.077 42.059 -0.114 0.000 0.890 57 L HN 0.328 nan 8.230 nan 0.000 0.431 58 H N -1.398 117.642 119.070 -0.050 0.000 2.524 58 H HA -0.013 4.540 4.556 -0.006 0.000 0.282 58 H C 2.066 177.326 175.328 -0.113 0.000 1.016 58 H CA 1.083 57.112 56.048 -0.031 0.000 1.270 58 H CB 0.350 30.143 29.762 0.053 0.000 1.394 58 H HN 0.275 nan 8.280 nan 0.000 0.568 59 L N 0.648 121.724 121.223 -0.244 0.000 2.044 59 L HA 0.006 4.343 4.340 -0.005 0.000 0.205 59 L C 2.629 179.024 176.870 -0.791 0.000 1.075 59 L CA 1.499 55.979 54.840 -0.600 0.000 0.747 59 L CB -0.980 40.514 42.059 -0.942 0.000 0.903 59 L HN 0.119 nan 8.230 nan 0.000 0.435 60 A N -0.433 121.911 122.820 -0.793 0.000 1.877 60 A HA -0.197 4.120 4.320 -0.005 0.000 0.216 60 A C 2.303 179.775 177.584 -0.186 0.000 1.186 60 A CA 1.946 53.684 52.037 -0.499 0.000 0.620 60 A CB -0.740 18.090 19.000 -0.283 0.000 0.822 60 A HN 0.403 nan 8.150 nan 0.000 0.443 61 I N -1.311 119.169 120.570 -0.151 0.000 2.179 61 I HA -0.284 3.883 4.170 -0.005 0.000 0.242 61 I C 2.624 178.808 176.117 0.111 0.000 1.088 61 I CA 1.680 62.958 61.300 -0.037 0.000 1.357 61 I CB -0.605 37.359 38.000 -0.061 0.000 1.051 61 I HN 0.549 nan 8.210 nan 0.000 0.409 62 H N 1.410 120.524 119.070 0.073 0.000 2.289 62 H HA -0.233 4.319 4.556 -0.006 0.000 0.296 62 H C 1.628 177.185 175.328 0.382 0.000 1.091 62 H CA 2.438 58.644 56.048 0.263 0.000 1.274 62 H CB -0.073 29.843 29.762 0.258 0.000 1.364 62 H HN 0.289 nan 8.280 nan 0.000 0.490 63 D N 0.146 120.829 120.400 0.471 0.000 2.183 63 D HA -0.023 4.614 4.640 -0.005 0.000 0.203 63 D C 2.256 178.757 176.300 0.335 0.000 0.969 63 D CA 1.079 55.372 54.000 0.490 0.000 0.842 63 D CB -0.395 40.771 40.800 0.609 0.000 0.957 63 D HN 0.480 nan 8.370 nan 0.000 0.484 64 A N -0.091 122.846 122.820 0.196 0.000 1.877 64 A HA -0.209 4.108 4.320 -0.005 0.000 0.216 64 A C 2.182 179.911 177.584 0.241 0.000 1.186 64 A CA 1.211 53.332 52.037 0.140 0.000 0.620 64 A CB -1.029 17.963 19.000 -0.014 0.000 0.822 64 A HN 0.349 nan 8.150 nan 0.000 0.443 65 Y N -0.789 119.525 120.300 0.024 0.000 2.133 65 Y HA -0.153 4.394 4.550 -0.005 0.000 0.287 65 Y C 1.800 177.616 175.900 -0.139 0.000 1.134 65 Y CA 1.905 59.941 58.100 -0.107 0.000 1.133 65 Y CB -0.342 37.923 38.460 -0.326 0.000 0.987 65 Y HN 0.254 nan 8.280 nan 0.000 0.502 66 F N -0.421 119.655 119.950 0.211 0.000 2.699 66 F HA -0.087 4.437 4.527 -0.004 0.000 0.298 66 F C 2.444 178.286 175.800 0.069 0.000 1.154 66 F CA 1.061 59.121 58.000 0.099 0.000 1.457 66 F CB -0.677 38.385 39.000 0.104 0.000 1.106 66 F HN -0.004 nan 8.300 nan 0.000 0.585 67 S N -0.018 115.839 115.700 0.262 0.000 2.377 67 S HA -0.001 4.466 4.470 -0.005 0.000 0.223 67 S C 2.168 176.802 174.600 0.057 0.000 1.030 67 S CA 0.732 59.065 58.200 0.222 0.000 0.970 67 S CB -0.115 63.334 63.200 0.415 0.000 0.830 67 S HN 0.280 nan 8.310 nan 0.000 0.473 68 I N 0.172 120.742 120.570 -0.001 0.000 2.333 68 I HA -0.032 4.135 4.170 -0.005 0.000 0.246 68 I C 0.280 176.305 176.117 -0.153 0.000 1.106 68 I CA 0.657 61.891 61.300 -0.110 0.000 1.411 68 I CB 0.071 38.007 38.000 -0.108 0.000 1.082 68 I HN 0.218 nan 8.210 nan 0.000 0.420 69 C N 3.248 122.395 119.300 -0.256 0.000 2.717 69 C HA 0.336 4.793 4.460 -0.005 0.000 0.306 69 C C -2.084 172.907 174.990 0.002 0.000 1.225 69 C CA -1.589 57.302 59.018 -0.212 0.000 1.658 69 C CB -0.677 26.790 27.740 -0.454 0.000 1.714 69 C HN 0.196 nan 8.230 nan 0.000 0.463 70 P HA 0.098 nan 4.420 nan 0.000 0.264 70 P C -2.276 175.040 177.300 0.026 0.000 1.183 70 P CA -0.077 63.069 63.100 0.077 0.000 0.763 70 P CB 0.200 31.909 31.700 0.014 0.000 0.807 71 P HA 0.149 nan 4.420 nan 0.000 0.278 71 P C 0.650 177.697 177.300 -0.421 0.000 1.258 71 P CA -0.229 62.581 63.100 -0.484 0.000 0.811 71 P CB 0.846 31.661 31.700 -1.475 0.000 1.063 72 T N -3.806 110.509 114.554 -0.399 0.000 3.046 72 T HA 0.064 4.411 4.350 -0.005 0.000 0.242 72 T C 1.000 175.567 174.700 -0.222 0.000 1.018 72 T CA 0.520 62.480 62.100 -0.233 0.000 1.131 72 T CB -0.460 68.334 68.868 -0.124 0.000 0.904 72 T HN 0.205 nan 8.240 nan 0.000 0.459 73 D N 1.089 121.338 120.400 -0.252 0.000 2.339 73 D HA 0.299 4.936 4.640 -0.005 0.000 0.217 73 D C -0.050 176.281 176.300 0.052 0.000 1.050 73 D CA 0.152 54.115 54.000 -0.062 0.000 0.856 73 D CB 0.231 41.064 40.800 0.055 0.000 0.922 73 D HN 0.582 nan 8.370 nan 0.000 0.518 74 F N -1.803 118.101 119.950 -0.077 0.000 2.779 74 F HA 0.502 5.027 4.527 -0.004 0.000 0.316 74 F C -0.242 175.522 175.800 -0.061 0.000 1.164 74 F CA -1.173 56.784 58.000 -0.072 0.000 0.924 74 F CB 0.631 39.579 39.000 -0.087 0.000 1.348 74 F HN -0.285 nan 8.300 nan 0.000 0.467 75 T N -2.154 112.548 114.554 0.247 0.000 2.718 75 T HA 0.690 5.037 4.350 -0.005 0.000 0.267 75 T C -0.175 174.751 174.700 0.377 0.000 0.957 75 T CA -0.293 61.911 62.100 0.173 0.000 1.025 75 T CB 1.004 69.946 68.868 0.123 0.000 1.355 75 T HN 0.956 nan 8.240 nan 0.000 0.572 76 T N -0.886 113.875 114.554 0.346 0.000 2.849 76 T HA 0.364 4.710 4.350 -0.005 0.000 0.284 76 T C 0.679 175.665 174.700 0.476 0.000 1.004 76 T CA -0.720 61.686 62.100 0.510 0.000 1.021 76 T CB 0.287 69.415 68.868 0.433 0.000 1.013 76 T HN 0.437 nan 8.240 nan 0.000 0.527 77 F N 0.927 121.106 119.950 0.381 0.000 2.075 77 F HA 0.226 4.752 4.527 -0.003 0.000 0.297 77 F C 0.733 176.672 175.800 0.232 0.000 1.113 77 F CA 1.055 59.216 58.000 0.268 0.000 1.218 77 F CB -0.189 39.005 39.000 0.323 0.000 0.984 77 F HN 0.397 nan 8.300 nan 0.000 0.472 78 L N -0.265 121.167 121.223 0.347 0.000 2.332 78 L HA 0.399 4.736 4.340 -0.005 0.000 0.269 78 L C 0.060 177.017 176.870 0.145 0.000 1.016 78 L CA -0.857 54.060 54.840 0.129 0.000 0.809 78 L CB 1.611 43.696 42.059 0.043 0.000 1.280 78 L HN 0.001 nan 8.230 nan 0.000 0.447 79 S N -0.689 115.061 115.700 0.084 0.000 2.566 79 S HA 0.536 5.003 4.470 -0.005 0.000 0.298 79 S C -2.440 172.205 174.600 0.075 0.000 1.083 79 S CA -1.389 56.863 58.200 0.087 0.000 0.978 79 S CB 2.181 65.413 63.200 0.054 0.000 1.073 79 S HN 0.324 nan 8.310 nan 0.000 0.491 80 P HA 0.124 nan 4.420 nan 0.000 0.229 80 P C -0.137 177.191 177.300 0.045 0.000 1.160 80 P CA 0.750 63.893 63.100 0.072 0.000 0.777 80 P CB 0.015 31.761 31.700 0.077 0.000 0.814 81 D N -1.257 119.164 120.400 0.036 0.000 2.615 81 D HA 0.075 4.712 4.640 -0.005 0.000 0.236 81 D C -0.042 176.265 176.300 0.013 0.000 1.233 81 D CA 0.309 54.321 54.000 0.021 0.000 0.829 81 D CB -0.128 40.681 40.800 0.015 0.000 1.024 81 D HN 0.078 nan 8.370 nan 0.000 0.490 82 T N 0.648 115.213 114.554 0.018 0.000 2.851 82 T HA 0.265 4.612 4.350 -0.005 0.000 0.298 82 T C 1.618 176.324 174.700 0.009 0.000 0.977 82 T CA -0.056 62.050 62.100 0.010 0.000 1.126 82 T CB 1.718 70.605 68.868 0.031 0.000 0.916 82 T HN 0.315 nan 8.240 nan 0.000 0.529 83 E N 2.689 122.886 120.200 -0.005 0.000 2.107 83 E HA -0.096 4.251 4.350 -0.005 0.000 0.191 83 E C 1.102 177.708 176.600 0.009 0.000 0.982 83 E CA 0.583 56.981 56.400 -0.003 0.000 0.809 83 E CB -0.221 29.470 29.700 -0.015 0.000 0.756 83 E HN 0.594 nan 8.360 nan 0.000 0.459 84 N N 0.688 119.396 118.700 0.013 0.000 2.406 84 N HA 0.286 5.023 4.740 -0.005 0.000 0.265 84 N C 1.114 176.679 175.510 0.091 0.000 1.203 84 N CA 0.523 53.606 53.050 0.056 0.000 0.945 84 N CB 1.050 39.574 38.487 0.062 0.000 1.165 84 N HN 0.294 nan 8.380 nan 0.000 0.485 85 A N 4.364 127.216 122.820 0.054 0.000 1.958 85 A HA -0.212 4.105 4.320 -0.005 0.000 0.221 85 A C 2.063 179.653 177.584 0.009 0.000 1.178 85 A CA 2.103 54.157 52.037 0.028 0.000 0.642 85 A CB -0.708 18.299 19.000 0.012 0.000 0.816 85 A HN 0.749 nan 8.150 nan 0.000 0.453 86 A N -2.366 120.468 122.820 0.022 0.000 2.067 86 A HA 0.037 4.354 4.320 -0.005 0.000 0.219 86 A C 1.523 178.948 177.584 -0.265 0.000 1.158 86 A CA 1.262 53.232 52.037 -0.112 0.000 0.661 86 A CB -0.495 18.431 19.000 -0.122 0.000 0.801 86 A HN 0.616 nan 8.150 nan 0.000 0.452 87 Y N -1.165 119.072 120.300 -0.106 0.000 2.636 87 Y HA 0.309 4.856 4.550 -0.004 0.000 0.260 87 Y C 0.784 176.614 175.900 -0.117 0.000 1.177 87 Y CA -0.443 57.575 58.100 -0.135 0.000 1.209 87 Y CB 0.227 38.614 38.460 -0.122 0.000 1.166 87 Y HN 0.139 nan 8.280 nan 0.000 0.531 88 R N 1.490 122.001 120.500 0.018 0.000 2.202 88 R HA 0.337 4.674 4.340 -0.005 0.000 0.334 88 R C -1.039 175.252 176.300 -0.016 0.000 1.036 88 R CA -0.752 55.356 56.100 0.014 0.000 0.878 88 R CB 0.469 30.781 30.300 0.020 0.000 1.067 88 R HN 0.144 nan 8.270 nan 0.000 0.457 89 L N 7.361 128.595 121.223 0.019 0.000 2.349 89 L HA 0.383 4.720 4.340 -0.005 0.000 0.275 89 L C -2.208 174.727 176.870 0.109 0.000 1.115 89 L CA -1.782 53.088 54.840 0.050 0.000 0.820 89 L CB 0.961 43.095 42.059 0.125 0.000 1.135 89 L HN 0.575 nan 8.230 nan 0.000 0.445 90 P HA 0.159 nan 4.420 nan 0.000 0.269 90 P C -1.173 176.354 177.300 0.378 0.000 1.215 90 P CA -0.139 63.097 63.100 0.227 0.000 0.780 90 P CB 0.669 32.499 31.700 0.217 0.000 0.898 91 S N 2.943 118.780 115.700 0.229 0.000 2.541 91 S HA 0.292 4.759 4.470 -0.005 0.000 0.283 91 S C -1.520 172.998 174.600 -0.137 0.000 1.196 91 S CA -0.962 57.282 58.200 0.074 0.000 1.062 91 S CB 0.808 64.020 63.200 0.021 0.000 1.009 91 S HN 0.362 nan 8.310 nan 0.000 0.502 92 P HA -0.044 nan 4.420 nan 0.000 0.214 92 P C -0.223 176.862 177.300 -0.359 0.000 1.163 92 P CA 0.733 63.321 63.100 -0.854 0.000 0.883 92 P CB -0.032 31.254 31.700 -0.690 0.000 0.788 93 N N -1.294 117.281 118.700 -0.209 0.000 2.725 93 N HA -0.171 4.566 4.740 -0.005 0.000 0.251 93 N C 0.996 176.447 175.510 -0.099 0.000 1.031 93 N CA 1.484 54.468 53.050 -0.111 0.000 0.720 93 N CB -1.662 36.788 38.487 -0.062 0.000 0.930 93 N HN 0.468 nan 8.380 nan 0.000 0.543 94 G N -1.832 106.898 108.800 -0.117 0.000 2.436 94 G HA2 -0.079 3.878 3.960 -0.005 0.000 0.204 94 G HA3 -0.079 3.878 3.960 -0.005 0.000 0.204 94 G C 0.228 175.070 174.900 -0.097 0.000 1.026 94 G CA 0.275 45.324 45.100 -0.085 0.000 0.658 94 G HN 1.291 nan 8.290 nan 0.000 0.499 95 A N 1.216 123.953 122.820 -0.137 0.000 2.553 95 A HA 0.460 4.776 4.320 -0.005 0.000 0.258 95 A C 0.948 178.455 177.584 -0.128 0.000 1.069 95 A CA 1.503 53.468 52.037 -0.119 0.000 0.767 95 A CB -0.285 18.613 19.000 -0.170 0.000 0.997 95 A HN 1.424 nan 8.150 nan 0.000 0.512 96 N N 1.043 119.704 118.700 -0.065 0.000 2.241 96 N HA 0.083 4.820 4.740 -0.005 0.000 0.238 96 N C -0.887 174.604 175.510 -0.031 0.000 1.244 96 N CA -0.264 52.750 53.050 -0.060 0.000 0.880 96 N CB 0.556 39.012 38.487 -0.051 0.000 1.179 96 N HN 0.417 nan 8.380 nan 0.000 0.513 97 D N 0.675 121.071 120.400 -0.006 0.000 2.485 97 D HA 0.443 5.080 4.640 -0.005 0.000 0.229 97 D C 0.884 177.197 176.300 0.021 0.000 1.101 97 D CA -0.400 53.606 54.000 0.009 0.000 0.906 97 D CB 1.317 42.130 40.800 0.022 0.000 1.019 97 D HN 0.229 nan 8.370 nan 0.000 0.516 98 A N 4.602 127.430 122.820 0.013 0.000 1.940 98 A HA -0.194 4.123 4.320 -0.005 0.000 0.219 98 A C 2.122 179.741 177.584 0.058 0.000 1.176 98 A CA 1.277 53.349 52.037 0.058 0.000 0.631 98 A CB -0.279 18.737 19.000 0.026 0.000 0.814 98 A HN 0.594 nan 8.150 nan 0.000 0.446 99 R N -0.956 119.456 120.500 -0.146 0.000 2.091 99 R HA -0.179 4.158 4.340 -0.005 0.000 0.238 99 R C 2.092 178.269 176.300 -0.205 0.000 1.136 99 R CA 1.747 57.495 56.100 -0.586 0.000 0.959 99 R CB -0.198 29.775 30.300 -0.546 0.000 0.856 99 R HN 0.480 nan 8.270 nan 0.000 0.437 100 Q N -0.288 119.492 119.800 -0.033 0.000 2.187 100 Q HA 0.010 4.347 4.340 -0.005 0.000 0.199 100 Q C 1.980 178.022 176.000 0.071 0.000 0.957 100 Q CA 1.307 57.170 55.803 0.100 0.000 0.857 100 Q CB -0.097 28.732 28.738 0.152 0.000 0.929 100 Q HN 0.427 nan 8.270 nan 0.000 0.453 101 A N 0.433 123.290 122.820 0.062 0.000 1.877 101 A HA -0.119 4.198 4.320 -0.005 0.000 0.216 101 A C 2.422 179.967 177.584 -0.065 0.000 1.186 101 A CA 1.522 53.594 52.037 0.058 0.000 0.620 101 A CB -0.706 18.419 19.000 0.209 0.000 0.822 101 A HN 0.193 nan 8.150 nan 0.000 0.443 102 V N -0.106 119.814 119.914 0.010 0.000 2.343 102 V HA -0.247 3.870 4.120 -0.005 0.000 0.247 102 V C 3.064 178.964 176.094 -0.323 0.000 1.051 102 V CA 1.924 64.209 62.300 -0.026 0.000 1.036 102 V CB -1.210 30.785 31.823 0.286 0.000 0.654 102 V HN 0.627 nan 8.190 nan 0.000 0.451 103 A N 0.488 123.163 122.820 -0.240 0.000 1.883 103 A HA -0.132 4.185 4.320 -0.005 0.000 0.217 103 A C 2.430 179.656 177.584 -0.597 0.000 1.186 103 A CA 2.099 53.909 52.037 -0.377 0.000 0.624 103 A CB -1.296 17.828 19.000 0.206 0.000 0.822 103 A HN 0.530 nan 8.150 nan 0.000 0.444 104 G N -0.762 107.594 108.800 -0.739 0.000 2.422 104 G HA2 0.037 3.994 3.960 -0.005 0.000 0.218 104 G HA3 0.037 3.994 3.960 -0.005 0.000 0.218 104 G C 1.733 176.177 174.900 -0.761 0.000 1.146 104 G CA 1.475 45.755 45.100 -1.367 0.000 0.769 104 G HN 0.795 nan 8.290 nan 0.000 0.547 105 A N 1.288 123.779 122.820 -0.548 0.000 1.858 105 A HA 0.270 4.587 4.320 -0.005 0.000 0.216 105 A C 2.846 180.184 177.584 -0.410 0.000 1.190 105 A CA 2.373 54.170 52.037 -0.400 0.000 0.617 105 A CB -0.944 17.878 19.000 -0.298 0.000 0.827 105 A HN 0.777 nan 8.150 nan 0.000 0.443 106 A N -0.424 122.058 122.820 -0.564 0.000 1.877 106 A HA -0.053 4.264 4.320 -0.005 0.000 0.216 106 A C 2.222 179.513 177.584 -0.489 0.000 1.186 106 A CA 1.552 53.232 52.037 -0.594 0.000 0.620 106 A CB -0.665 17.719 19.000 -1.027 0.000 0.822 106 A HN 0.465 nan 8.150 nan 0.000 0.443 107 L N -0.975 119.893 121.223 -0.591 0.000 2.046 107 L HA -0.174 4.163 4.340 -0.005 0.000 0.208 107 L C 2.725 179.489 176.870 -0.177 0.000 1.077 107 L CA 1.452 56.125 54.840 -0.279 0.000 0.747 107 L CB -0.356 41.623 42.059 -0.134 0.000 0.896 107 L HN 0.276 nan 8.230 nan 0.000 0.432 108 K N -0.118 120.132 120.400 -0.250 0.000 2.025 108 K HA -0.193 4.124 4.320 -0.005 0.000 0.207 108 K C 2.091 178.575 176.600 -0.193 0.000 1.049 108 K CA 1.644 57.808 56.287 -0.205 0.000 0.933 108 K CB -0.278 32.079 32.500 -0.238 0.000 0.714 108 K HN 0.075 nan 8.250 nan 0.000 0.438 109 M N 1.044 120.542 119.600 -0.170 0.000 2.065 109 M HA -0.114 4.363 4.480 -0.005 0.000 0.259 109 M C 1.963 178.235 176.300 -0.046 0.000 1.069 109 M CA 1.523 56.766 55.300 -0.095 0.000 1.110 109 M CB -0.538 32.023 32.600 -0.065 0.000 1.328 109 M HN 0.110 nan 8.290 nan 0.000 0.405 110 L N -1.055 120.162 121.223 -0.009 0.000 2.083 110 L HA -0.199 4.138 4.340 -0.005 0.000 0.209 110 L C 2.312 179.265 176.870 0.139 0.000 1.083 110 L CA 1.277 56.197 54.840 0.133 0.000 0.752 110 L CB -0.899 41.239 42.059 0.131 0.000 0.899 110 L HN 0.310 nan 8.230 nan 0.000 0.433 111 S N -0.692 115.020 115.700 0.019 0.000 2.368 111 S HA -0.148 4.319 4.470 -0.005 0.000 0.224 111 S C 2.214 176.761 174.600 -0.088 0.000 1.029 111 S CA 1.467 59.667 58.200 -0.001 0.000 0.988 111 S CB -0.099 63.080 63.200 -0.035 0.000 0.838 111 S HN 0.353 nan 8.310 nan 0.000 0.462 112 S N 1.764 117.308 115.700 -0.260 0.000 2.368 112 S HA 0.052 4.519 4.470 -0.005 0.000 0.225 112 S C 1.812 176.226 174.600 -0.311 0.000 1.030 112 S CA 0.875 58.732 58.200 -0.572 0.000 0.999 112 S CB -0.395 61.987 63.200 -1.364 0.000 0.844 112 S HN 0.343 nan 8.310 nan 0.000 0.459 113 L N -0.754 120.412 121.223 -0.094 0.000 2.027 113 L HA -0.080 4.257 4.340 -0.005 0.000 0.206 113 L C 1.968 178.712 176.870 -0.210 0.000 1.074 113 L CA 1.441 56.254 54.840 -0.045 0.000 0.745 113 L CB -0.403 41.562 42.059 -0.157 0.000 0.898 113 L HN 0.340 nan 8.230 nan 0.000 0.433 114 Y N -2.098 118.246 120.300 0.073 0.000 2.497 114 Y HA 0.164 4.711 4.550 -0.005 0.000 0.265 114 Y C 1.097 177.099 175.900 0.171 0.000 1.111 114 Y CA -0.438 57.726 58.100 0.107 0.000 1.288 114 Y CB 0.204 38.705 38.460 0.068 0.000 1.082 114 Y HN 0.026 nan 8.280 nan 0.000 0.536 115 M N 0.768 120.482 119.600 0.191 0.000 2.255 115 M HA 0.116 4.593 4.480 -0.005 0.000 0.336 115 M C 0.320 176.568 176.300 -0.086 0.000 1.135 115 M CA -0.956 54.395 55.300 0.086 0.000 1.145 115 M CB 0.410 33.012 32.600 0.003 0.000 1.473 115 M HN -0.028 nan 8.290 nan 0.000 0.462 116 K N 2.978 123.086 120.400 -0.487 0.000 2.440 116 K HA -0.036 4.281 4.320 -0.005 0.000 0.275 116 K C -1.980 174.417 176.600 -0.339 0.000 1.082 116 K CA -0.575 55.180 56.287 -0.887 0.000 1.135 116 K CB 0.043 31.978 32.500 -0.943 0.000 0.864 116 K HN 0.244 nan 8.250 nan 0.000 0.479 117 P HA 0.003 nan 4.420 nan 0.000 0.235 117 P C 0.366 177.627 177.300 -0.065 0.000 1.765 117 P CA -0.158 62.906 63.100 -0.059 0.000 1.034 117 P CB 0.387 32.102 31.700 0.025 0.000 1.984 118 V N 0.417 120.274 119.914 -0.095 0.000 2.469 118 V HA -0.237 3.880 4.120 -0.005 0.000 0.251 118 V C 1.782 177.856 176.094 -0.034 0.000 1.064 118 V CA 2.242 64.500 62.300 -0.070 0.000 1.066 118 V CB -1.613 30.165 31.823 -0.075 0.000 0.667 118 V HN 0.423 nan 8.190 nan 0.000 0.461 119 E N -0.141 120.044 120.200 -0.024 0.000 1.896 119 E HA 0.361 4.708 4.350 -0.005 0.000 0.276 119 E C 1.216 177.819 176.600 0.004 0.000 1.171 119 E CA 1.592 57.988 56.400 -0.006 0.000 1.118 119 E CB -1.277 28.424 29.700 0.001 0.000 1.077 119 E HN 0.912 nan 8.360 nan 0.000 0.452 120 Q N -0.848 118.953 119.800 0.002 0.000 2.306 120 Q HA -0.379 3.958 4.340 -0.005 0.000 0.179 120 Q C 1.008 177.016 176.000 0.014 0.000 2.892 120 Q CA 2.987 58.794 55.803 0.008 0.000 0.250 120 Q CB -3.254 25.490 28.738 0.010 0.000 0.245 120 Q HN 1.533 nan 8.270 nan 0.000 0.415 121 P HA -0.131 nan 4.420 nan 0.000 0.219 121 P C 1.333 178.655 177.300 0.035 0.000 1.145 121 P CA 3.629 66.748 63.100 0.031 0.000 0.813 121 P CB -1.864 29.862 31.700 0.043 0.000 0.771 122 N N -1.222 117.493 118.700 0.024 0.000 2.149 122 N HA 0.090 4.826 4.740 -0.005 0.000 0.188 122 N C 0.104 175.637 175.510 0.039 0.000 1.019 122 N CA 1.532 54.602 53.050 0.032 0.000 0.857 122 N CB -1.964 36.527 38.487 0.007 0.000 0.997 122 N HN 0.599 nan 8.380 nan 0.000 0.426 123 P HA 0.484 nan 4.420 nan 0.000 0.284 123 P C 0.800 178.118 177.300 0.029 0.000 1.253 123 P CA 1.386 64.502 63.100 0.026 0.000 0.800 123 P CB 0.174 31.885 31.700 0.019 0.000 0.961 124 N N -0.270 118.447 118.700 0.028 0.000 3.078 124 N HA -0.318 4.419 4.740 -0.005 0.000 0.221 124 N C 0.687 176.219 175.510 0.036 0.000 0.163 124 N CA 2.978 56.047 53.050 0.031 0.000 3.866 124 N CB -2.915 35.592 38.487 0.032 0.000 1.005 124 N HN 0.742 nan 8.380 nan 0.000 0.246 125 P HA 0.319 nan 4.420 nan 0.000 0.212 125 P C 1.918 179.248 177.300 0.049 0.000 1.180 125 P CA 3.707 66.832 63.100 0.043 0.000 0.902 125 P CB -0.866 30.859 31.700 0.041 0.000 0.778 126 G N -1.335 107.504 108.800 0.065 0.000 2.880 126 G HA2 0.325 4.281 3.960 -0.005 0.000 0.209 126 G HA3 0.325 4.281 3.960 -0.005 0.000 0.209 126 G C 0.960 175.908 174.900 0.081 0.000 1.157 126 G CA 0.834 45.993 45.100 0.098 0.000 0.779 126 G HN 0.665 nan 8.290 nan 0.000 0.539 127 A N 0.006 122.856 122.820 0.050 0.000 3.051 127 A HA 0.489 4.806 4.320 -0.005 0.000 0.275 127 A C 1.202 178.788 177.584 0.003 0.000 1.900 127 A CA 1.174 53.230 52.037 0.031 0.000 1.496 127 A CB -1.325 17.687 19.000 0.019 0.000 1.013 127 A HN 0.942 nan 8.150 nan 0.000 0.611 128 N N 0.670 119.372 118.700 0.004 0.000 2.179 128 N HA 0.083 4.820 4.740 -0.005 0.000 0.315 128 N C 0.044 175.534 175.510 -0.034 0.000 1.141 128 N CA 0.130 53.161 53.050 -0.031 0.000 0.892 128 N CB -0.634 37.824 38.487 -0.048 0.000 1.942 128 N HN 0.428 nan 8.380 nan 0.000 0.827 129 I N 3.184 123.739 120.570 -0.024 0.000 2.342 129 I HA 0.397 4.564 4.170 -0.005 0.000 0.291 129 I C 1.108 177.191 176.117 -0.057 0.000 1.010 129 I CA -0.673 60.564 61.300 -0.105 0.000 1.308 129 I CB 1.628 39.484 38.000 -0.240 0.000 1.400 129 I HN 0.534 nan 8.210 nan 0.000 0.488 130 S N 3.675 119.327 115.700 -0.080 0.000 2.608 130 S HA 0.117 4.584 4.470 -0.005 0.000 0.261 130 S C 0.675 175.297 174.600 0.037 0.000 1.314 130 S CA -0.621 57.571 58.200 -0.012 0.000 0.992 130 S CB 1.127 64.314 63.200 -0.021 0.000 0.935 130 S HN 0.575 nan 8.310 nan 0.000 0.564 131 D N 0.679 121.141 120.400 0.103 0.000 2.224 131 D HA -0.087 4.550 4.640 -0.005 0.000 0.205 131 D C 1.671 178.042 176.300 0.119 0.000 0.965 131 D CA 1.084 55.189 54.000 0.175 0.000 0.852 131 D CB -0.576 40.293 40.800 0.115 0.000 0.947 131 D HN 0.725 nan 8.370 nan 0.000 0.494 132 N N 1.091 119.819 118.700 0.048 0.000 2.166 132 N HA -0.142 4.595 4.740 -0.005 0.000 0.186 132 N C 1.700 177.213 175.510 0.005 0.000 1.019 132 N CA 1.609 54.674 53.050 0.026 0.000 0.856 132 N CB -0.020 38.472 38.487 0.007 0.000 0.993 132 N HN 0.036 nan 8.380 nan 0.000 0.426 133 A N -0.275 122.510 122.820 -0.058 0.000 1.865 133 A HA -0.158 4.159 4.320 -0.005 0.000 0.217 133 A C 1.932 179.455 177.584 -0.103 0.000 1.191 133 A CA 1.471 53.427 52.037 -0.136 0.000 0.623 133 A CB -1.321 17.512 19.000 -0.278 0.000 0.826 133 A HN 0.484 nan 8.150 nan 0.000 0.444 134 Y N -0.036 120.279 120.300 0.025 0.000 2.224 134 Y HA -0.097 4.450 4.550 -0.005 0.000 0.289 134 Y C 2.942 178.855 175.900 0.022 0.000 1.146 134 Y CA 0.670 58.789 58.100 0.032 0.000 1.182 134 Y CB -0.844 37.633 38.460 0.029 0.000 0.983 134 Y HN 0.335 nan 8.280 nan 0.000 0.524 135 A N -0.090 122.830 122.820 0.166 0.000 1.877 135 A HA -0.220 4.097 4.320 -0.005 0.000 0.216 135 A C 2.193 179.813 177.584 0.060 0.000 1.186 135 A CA 1.672 53.766 52.037 0.095 0.000 0.620 135 A CB -0.557 18.483 19.000 0.068 0.000 0.822 135 A HN 0.361 nan 8.150 nan 0.000 0.443 136 Q N -0.279 119.544 119.800 0.039 0.000 2.084 136 Q HA -0.096 4.241 4.340 -0.005 0.000 0.202 136 Q C 2.195 178.197 176.000 0.004 0.000 0.978 136 Q CA 1.306 57.117 55.803 0.014 0.000 0.844 136 Q CB -0.497 28.241 28.738 -0.001 0.000 0.898 136 Q HN 0.729 nan 8.270 nan 0.000 0.426 137 L N -0.318 120.913 121.223 0.013 0.000 2.093 137 L HA -0.100 4.237 4.340 -0.005 0.000 0.208 137 L C 2.392 179.276 176.870 0.024 0.000 1.085 137 L CA 1.140 55.976 54.840 -0.007 0.000 0.755 137 L CB -0.838 41.245 42.059 0.039 0.000 0.904 137 L HN 0.264 nan 8.230 nan 0.000 0.435 138 G N 0.112 108.952 108.800 0.066 0.000 2.418 138 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.217 138 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.217 138 G C 1.646 176.573 174.900 0.044 0.000 1.158 138 G CA 0.531 45.669 45.100 0.063 0.000 0.771 138 G HN 0.203 nan 8.290 nan 0.000 0.545 139 L N 0.203 121.446 121.223 0.033 0.000 2.013 139 L HA -0.156 4.181 4.340 -0.005 0.000 0.212 139 L C 3.057 179.941 176.870 0.023 0.000 1.073 139 L CA 0.832 55.688 54.840 0.027 0.000 0.753 139 L CB -0.487 41.583 42.059 0.018 0.000 0.890 139 L HN 0.121 nan 8.230 nan 0.000 0.432 140 V N -0.059 119.855 119.914 0.001 0.000 2.287 140 V HA -0.322 3.795 4.120 -0.005 0.000 0.248 140 V C 2.374 178.478 176.094 0.017 0.000 1.053 140 V CA 1.826 64.115 62.300 -0.018 0.000 1.027 140 V CB -0.450 31.324 31.823 -0.081 0.000 0.646 140 V HN 0.347 nan 8.190 nan 0.000 0.447 141 L N -0.228 121.015 121.223 0.034 0.000 2.046 141 L HA -0.193 4.144 4.340 -0.005 0.000 0.208 141 L C 2.460 179.403 176.870 0.121 0.000 1.077 141 L CA 1.674 56.568 54.840 0.091 0.000 0.747 141 L CB -0.768 41.343 42.059 0.086 0.000 0.896 141 L HN 0.355 nan 8.230 nan 0.000 0.432 142 D N 0.055 120.507 120.400 0.087 0.000 2.097 142 D HA -0.193 4.444 4.640 -0.005 0.000 0.195 142 D C 2.198 178.554 176.300 0.093 0.000 0.989 142 D CA 1.479 55.529 54.000 0.085 0.000 0.827 142 D CB -0.181 40.654 40.800 0.058 0.000 0.966 142 D HN 0.445 nan 8.370 nan 0.000 0.456 143 R N 0.960 121.509 120.500 0.081 0.000 2.193 143 R HA 0.002 4.339 4.340 -0.005 0.000 0.213 143 R C 2.103 178.481 176.300 0.130 0.000 1.055 143 R CA 1.355 57.506 56.100 0.084 0.000 0.995 143 R CB -0.509 29.828 30.300 0.063 0.000 0.893 143 R HN 0.125 nan 8.270 nan 0.000 0.459 144 S N 1.125 116.925 115.700 0.166 0.000 2.382 144 S HA -0.102 4.365 4.470 -0.005 0.000 0.228 144 S C 2.078 176.865 174.600 0.311 0.000 1.027 144 S CA 1.175 59.537 58.200 0.270 0.000 0.991 144 S CB -0.547 62.772 63.200 0.198 0.000 0.823 144 S HN 0.160 nan 8.310 nan 0.000 0.469 145 V N 2.143 122.228 119.914 0.285 0.000 2.392 145 V HA -0.110 4.007 4.120 -0.005 0.000 0.249 145 V C 2.466 178.638 176.094 0.129 0.000 1.059 145 V CA 1.834 64.295 62.300 0.269 0.000 1.051 145 V CB -0.820 31.127 31.823 0.207 0.000 0.658 145 V HN 0.512 nan 8.190 nan 0.000 0.455 146 L N -0.667 120.609 121.223 0.087 0.000 2.341 146 L HA -0.013 4.324 4.340 -0.005 0.000 0.214 146 L C 2.236 179.095 176.870 -0.019 0.000 1.115 146 L CA 1.001 55.858 54.840 0.029 0.000 0.820 146 L CB -0.392 41.686 42.059 0.032 0.000 0.944 146 L HN 0.376 nan 8.230 nan 0.000 0.452 147 E N 0.622 120.816 120.200 -0.011 0.000 2.400 147 E HA 0.151 4.498 4.350 -0.005 0.000 0.195 147 E C 0.917 177.184 176.600 -0.555 0.000 1.012 147 E CA -0.037 56.297 56.400 -0.110 0.000 0.875 147 E CB 0.277 30.044 29.700 0.112 0.000 0.859 147 E HN 0.352 nan 8.360 nan 0.000 0.498 148 A N 3.906 126.322 122.820 -0.674 0.000 2.566 148 A HA 0.056 4.373 4.320 -0.005 0.000 0.245 148 A C -2.081 175.117 177.584 -0.644 0.000 1.056 148 A CA -0.897 50.465 52.037 -1.125 0.000 0.757 148 A CB -0.339 18.467 19.000 -0.324 0.000 0.979 148 A HN -0.040 nan 8.150 nan 0.000 0.508 149 P HA 0.225 nan 4.420 nan 0.000 0.271 149 P C 0.847 178.074 177.300 -0.123 0.000 1.233 149 P CA 1.289 64.225 63.100 -0.273 0.000 0.764 149 P CB 0.802 32.400 31.700 -0.171 0.000 0.825 150 G N 2.257 111.008 108.800 -0.082 0.000 2.175 150 G HA2 -0.001 3.956 3.960 -0.005 0.000 0.244 150 G HA3 -0.001 3.956 3.960 -0.005 0.000 0.244 150 G C 0.499 175.378 174.900 -0.035 0.000 0.982 150 G CA 0.287 45.363 45.100 -0.039 0.000 0.641 150 G HN 1.016 nan 8.290 nan 0.000 0.527 151 G N -2.295 106.474 108.800 -0.051 0.000 2.846 151 G HA2 0.222 4.179 3.960 -0.005 0.000 0.660 151 G HA3 0.222 4.179 3.960 -0.005 0.000 0.660 151 G C -0.353 174.568 174.900 0.035 0.000 1.464 151 G CA 0.045 45.133 45.100 -0.019 0.000 0.891 151 G HN 1.567 nan 8.290 nan 0.000 0.552 152 V N 1.214 121.157 119.914 0.047 0.000 2.407 152 V HA 0.494 4.610 4.120 -0.005 0.000 0.291 152 V C -0.410 175.640 176.094 -0.074 0.000 1.018 152 V CA -0.257 62.086 62.300 0.071 0.000 0.842 152 V CB 1.779 33.702 31.823 0.167 0.000 0.996 152 V HN 0.850 nan 8.190 nan 0.000 0.426 153 D N 4.150 124.491 120.400 -0.098 0.000 2.499 153 D HA 0.260 4.897 4.640 -0.005 0.000 0.225 153 D C 1.270 177.319 176.300 -0.419 0.000 1.124 153 D CA -0.394 53.503 54.000 -0.171 0.000 0.938 153 D CB 0.686 41.447 40.800 -0.065 0.000 1.014 153 D HN 0.399 nan 8.370 nan 0.000 0.517 154 R N 1.449 121.525 120.500 -0.706 0.000 2.293 154 R HA -0.075 4.261 4.340 -0.005 0.000 0.219 154 R C 1.027 177.018 176.300 -0.516 0.000 1.091 154 R CA 0.947 56.303 56.100 -1.240 0.000 1.004 154 R CB 0.367 30.169 30.300 -0.830 0.000 0.865 154 R HN 0.499 nan 8.270 nan 0.000 0.469 155 E N 0.311 120.361 120.200 -0.250 0.000 2.400 155 E HA -0.013 4.334 4.350 -0.005 0.000 0.195 155 E C 0.373 176.969 176.600 -0.007 0.000 1.012 155 E CA 0.130 56.478 56.400 -0.087 0.000 0.875 155 E CB 0.371 30.030 29.700 -0.068 0.000 0.859 155 E HN 0.197 nan 8.360 nan 0.000 0.498 156 S N 0.499 116.204 115.700 0.008 0.000 2.573 156 S HA 0.200 4.667 4.470 -0.005 0.000 0.277 156 S C 1.256 175.933 174.600 0.129 0.000 1.346 156 S CA -0.050 58.191 58.200 0.068 0.000 1.034 156 S CB 1.611 64.859 63.200 0.080 0.000 0.879 156 S HN 0.167 nan 8.310 nan 0.000 0.528 157 A N 2.760 125.638 122.820 0.097 0.000 1.933 157 A HA -0.011 4.306 4.320 -0.005 0.000 0.218 157 A C 2.397 180.076 177.584 0.157 0.000 1.175 157 A CA 1.714 53.815 52.037 0.107 0.000 0.628 157 A CB -1.464 17.570 19.000 0.058 0.000 0.814 157 A HN 0.858 nan 8.150 nan 0.000 0.444 158 S N -1.027 114.761 115.700 0.148 0.000 2.359 158 S HA -0.160 4.307 4.470 -0.005 0.000 0.224 158 S C 1.668 176.403 174.600 0.224 0.000 1.035 158 S CA 1.518 59.830 58.200 0.186 0.000 1.018 158 S CB -0.552 62.723 63.200 0.126 0.000 0.876 158 S HN 0.633 nan 8.310 nan 0.000 0.448 159 F N 2.216 122.203 119.950 0.061 0.000 2.095 159 F HA -0.141 4.383 4.527 -0.005 0.000 0.298 159 F C 2.184 177.997 175.800 0.023 0.000 1.104 159 F CA 1.524 59.538 58.000 0.023 0.000 1.232 159 F CB -0.360 38.644 39.000 0.006 0.000 0.987 159 F HN 0.121 nan 8.300 nan 0.000 0.475 160 M N -1.086 118.670 119.600 0.259 0.000 2.159 160 M HA -0.165 4.312 4.480 -0.005 0.000 0.263 160 M C 2.148 178.491 176.300 0.073 0.000 1.063 160 M CA 1.579 56.969 55.300 0.151 0.000 1.110 160 M CB -0.776 31.929 32.600 0.176 0.000 1.374 160 M HN 0.329 nan 8.290 nan 0.000 0.411 161 F N 1.328 121.270 119.950 -0.015 0.000 2.102 161 F HA -0.026 4.498 4.527 -0.006 0.000 0.298 161 F C 2.213 177.977 175.800 -0.060 0.000 1.105 161 F CA 1.736 59.723 58.000 -0.022 0.000 1.239 161 F CB -1.080 37.917 39.000 -0.004 0.000 0.991 161 F HN 0.070 nan 8.300 nan 0.000 0.474 162 G N 0.038 108.640 108.800 -0.330 0.000 2.476 162 G HA2 -0.302 3.655 3.960 -0.005 0.000 0.218 162 G HA3 -0.302 3.655 3.960 -0.005 0.000 0.218 162 G C 1.575 176.210 174.900 -0.441 0.000 1.164 162 G CA 1.027 45.844 45.100 -0.472 0.000 0.768 162 G HN 0.499 nan 8.290 nan 0.000 0.560 163 E N 0.065 120.018 120.200 -0.412 0.000 2.097 163 E HA -0.178 4.169 4.350 -0.005 0.000 0.196 163 E C 2.178 178.653 176.600 -0.208 0.000 1.000 163 E CA 1.120 57.331 56.400 -0.314 0.000 0.804 163 E CB -0.141 29.416 29.700 -0.237 0.000 0.740 163 E HN 0.322 nan 8.360 nan 0.000 0.454 164 D N 0.182 120.471 120.400 -0.186 0.000 2.117 164 D HA -0.121 4.516 4.640 -0.005 0.000 0.197 164 D C 1.956 178.163 176.300 -0.154 0.000 0.987 164 D CA 0.585 54.509 54.000 -0.127 0.000 0.829 164 D CB 0.047 40.811 40.800 -0.060 0.000 0.961 164 D HN -0.047 nan 8.370 nan 0.000 0.460 165 V N 0.986 120.730 119.914 -0.284 0.000 2.287 165 V HA -0.263 3.853 4.120 -0.005 0.000 0.248 165 V C 2.633 178.756 176.094 0.048 0.000 1.053 165 V CA 1.911 64.111 62.300 -0.167 0.000 1.027 165 V CB -0.982 30.662 31.823 -0.298 0.000 0.646 165 V HN 0.287 nan 8.190 nan 0.000 0.447 166 A N -0.123 122.675 122.820 -0.037 0.000 1.883 166 A HA -0.285 4.032 4.320 -0.005 0.000 0.217 166 A C 2.005 179.640 177.584 0.085 0.000 1.186 166 A CA 2.127 54.180 52.037 0.027 0.000 0.624 166 A CB -0.734 18.201 19.000 -0.108 0.000 0.822 166 A HN 0.549 nan 8.150 nan 0.000 0.444 167 D N -0.216 120.187 120.400 0.005 0.000 2.133 167 D HA -0.131 4.506 4.640 -0.005 0.000 0.195 167 D C 2.087 178.418 176.300 0.053 0.000 0.997 167 D CA 1.587 55.606 54.000 0.032 0.000 0.840 167 D CB -0.521 40.269 40.800 -0.017 0.000 0.947 167 D HN 0.241 nan 8.370 nan 0.000 0.452 168 V N 0.502 120.404 119.914 -0.020 0.000 2.295 168 V HA -0.238 3.879 4.120 -0.005 0.000 0.246 168 V C 2.232 178.223 176.094 -0.172 0.000 1.049 168 V CA 1.383 63.602 62.300 -0.135 0.000 1.024 168 V CB -0.636 31.041 31.823 -0.245 0.000 0.648 168 V HN 0.059 nan 8.190 nan 0.000 0.447 169 F N -0.856 119.071 119.950 -0.037 0.000 2.146 169 F HA -0.111 4.413 4.527 -0.005 0.000 0.298 169 F C 2.140 177.910 175.800 -0.051 0.000 1.096 169 F CA 1.800 59.762 58.000 -0.064 0.000 1.275 169 F CB -0.698 38.270 39.000 -0.054 0.000 1.008 169 F HN 0.108 nan 8.300 nan 0.000 0.480 170 F N 0.675 120.665 119.950 0.066 0.000 2.075 170 F HA -0.170 4.353 4.527 -0.006 0.000 0.297 170 F C 2.389 178.171 175.800 -0.030 0.000 1.113 170 F CA 1.425 59.430 58.000 0.008 0.000 1.218 170 F CB -0.805 38.190 39.000 -0.010 0.000 0.984 170 F HN -0.087 nan 8.300 nan 0.000 0.472 171 A N 0.039 122.888 122.820 0.049 0.000 1.908 171 A HA -0.186 4.131 4.320 -0.005 0.000 0.218 171 A C 2.097 179.578 177.584 -0.170 0.000 1.181 171 A CA 1.879 53.879 52.037 -0.061 0.000 0.627 171 A CB -1.229 17.764 19.000 -0.012 0.000 0.818 171 A HN 0.505 nan 8.150 nan 0.000 0.445 172 L N -0.930 120.173 121.223 -0.200 0.000 2.044 172 L HA 0.063 4.400 4.340 -0.005 0.000 0.205 172 L C 1.951 178.677 176.870 -0.239 0.000 1.075 172 L CA 1.748 56.423 54.840 -0.276 0.000 0.747 172 L CB -0.219 41.591 42.059 -0.414 0.000 0.903 172 L HN 0.358 nan 8.230 nan 0.000 0.435 173 L N -1.077 120.013 121.223 -0.223 0.000 2.590 173 L HA 0.133 4.470 4.340 -0.005 0.000 0.227 173 L C 0.864 177.645 176.870 -0.149 0.000 1.099 173 L CA -0.166 54.554 54.840 -0.200 0.000 0.872 173 L CB -0.381 41.463 42.059 -0.359 0.000 1.088 173 L HN 0.285 nan 8.230 nan 0.000 0.479 174 N N 1.324 119.828 118.700 -0.327 0.000 2.458 174 N HA -0.093 4.644 4.740 -0.005 0.000 0.258 174 N C -0.839 174.543 175.510 -0.214 0.000 1.219 174 N CA 0.397 53.201 53.050 -0.411 0.000 0.902 174 N CB 0.663 38.538 38.487 -1.021 0.000 1.076 174 N HN -0.027 nan 8.380 nan 0.000 0.455 175 D N 4.466 124.803 120.400 -0.105 0.000 2.412 175 D HA 0.252 4.889 4.640 -0.005 0.000 0.276 175 D C -1.426 174.861 176.300 -0.022 0.000 1.196 175 D CA -1.864 52.121 54.000 -0.025 0.000 0.905 175 D CB 1.152 42.003 40.800 0.084 0.000 1.081 175 D HN 0.427 nan 8.370 nan 0.000 0.502 176 P HA -0.141 nan 4.420 nan 0.000 0.216 176 P C 0.667 177.971 177.300 0.008 0.000 1.153 176 P CA 0.717 63.807 63.100 -0.016 0.000 0.858 176 P CB 0.427 32.120 31.700 -0.013 0.000 0.789 177 R N -0.380 120.131 120.500 0.018 0.000 2.480 177 R HA 0.231 4.568 4.340 -0.005 0.000 0.277 177 R C 2.137 178.476 176.300 0.065 0.000 1.008 177 R CA 0.233 56.356 56.100 0.037 0.000 1.090 177 R CB -0.403 29.917 30.300 0.033 0.000 1.234 177 R HN 0.201 nan 8.270 nan 0.000 0.549 178 G N 1.160 110.003 108.800 0.071 0.000 2.469 178 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.219 178 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.219 178 G C 1.219 176.129 174.900 0.017 0.000 1.150 178 G CA 0.910 46.099 45.100 0.148 0.000 0.763 178 G HN 0.393 nan 8.290 nan 0.000 0.561 179 A N -0.151 122.625 122.820 -0.074 0.000 2.337 179 A HA 0.549 4.866 4.320 -0.005 0.000 0.227 179 A C 1.316 178.885 177.584 -0.024 0.000 1.259 179 A CA 0.451 52.404 52.037 -0.140 0.000 0.870 179 A CB -0.161 18.752 19.000 -0.145 0.000 0.927 179 A HN 0.285 nan 8.150 nan 0.000 0.497 180 S N 0.339 116.077 115.700 0.064 0.000 2.537 180 S HA 0.115 4.582 4.470 -0.005 0.000 0.286 180 S C 1.147 175.862 174.600 0.192 0.000 1.299 180 S CA 0.418 58.707 58.200 0.148 0.000 1.067 180 S CB 0.339 63.640 63.200 0.170 0.000 0.864 180 S HN 0.677 nan 8.310 nan 0.000 0.494 181 Q N 2.490 122.415 119.800 0.208 0.000 2.189 181 Q HA 0.309 4.646 4.340 -0.005 0.000 0.223 181 Q C 0.159 176.378 176.000 0.366 0.000 0.828 181 Q CA -0.349 55.554 55.803 0.168 0.000 0.967 181 Q CB -0.030 28.831 28.738 0.206 0.000 1.139 181 Q HN 0.769 nan 8.270 nan 0.000 0.497 182 E N 0.824 121.238 120.200 0.358 0.000 2.729 182 E HA 0.052 4.399 4.350 -0.005 0.000 0.246 182 E C 0.435 177.187 176.600 0.252 0.000 0.984 182 E CA 1.322 57.879 56.400 0.262 0.000 0.951 182 E CB -0.218 29.585 29.700 0.171 0.000 0.914 182 E HN 0.553 nan 8.360 nan 0.000 0.509 183 G N 3.706 112.580 108.800 0.124 0.000 2.279 183 G HA2 -0.339 3.618 3.960 -0.005 0.000 0.223 183 G HA3 -0.339 3.618 3.960 -0.005 0.000 0.223 183 G C -0.193 174.619 174.900 -0.148 0.000 1.015 183 G CA 0.113 45.226 45.100 0.021 0.000 0.621 183 G HN 0.649 nan 8.290 nan 0.000 0.506 184 Y N 3.594 123.844 120.300 -0.083 0.000 2.411 184 Y HA 0.621 5.168 4.550 -0.005 0.000 0.333 184 Y C 0.180 175.724 175.900 -0.593 0.000 1.186 184 Y CA 0.022 57.968 58.100 -0.257 0.000 1.381 184 Y CB 0.571 38.800 38.460 -0.385 0.000 1.273 184 Y HN 0.333 nan 8.280 nan 0.000 0.546 185 H N 4.630 122.949 119.070 -1.252 0.000 3.029 185 H HA 0.283 4.837 4.556 -0.005 0.000 0.358 185 H C -2.595 172.110 175.328 -1.039 0.000 1.129 185 H CA -2.043 53.474 56.048 -0.884 0.000 1.230 185 H CB 1.579 31.144 29.762 -0.328 0.000 1.827 185 H HN 0.527 nan 8.280 nan 0.000 0.530 186 P HA 0.139 nan 4.420 nan 0.000 0.272 186 P C -0.275 176.997 177.300 -0.048 0.000 1.240 186 P CA -0.117 62.913 63.100 -0.116 0.000 0.791 186 P CB 0.659 32.354 31.700 -0.009 0.000 0.978 187 T N 1.817 116.396 114.554 0.043 0.000 3.150 187 T HA 0.337 4.684 4.350 -0.005 0.000 0.383 187 T C -2.447 172.273 174.700 0.032 0.000 1.313 187 T CA -1.297 60.821 62.100 0.030 0.000 1.235 187 T CB 0.142 69.040 68.868 0.049 0.000 1.088 187 T HN 0.246 nan 8.240 nan 0.000 0.556 188 P HA 0.421 nan 4.420 nan 0.000 0.266 188 P C 0.420 177.708 177.300 -0.019 0.000 1.186 188 P CA 0.708 63.814 63.100 0.010 0.000 0.767 188 P CB 0.483 32.189 31.700 0.010 0.000 0.820 189 G N 0.496 109.266 108.800 -0.049 0.000 2.350 189 G HA2 0.147 4.104 3.960 -0.005 0.000 0.304 189 G HA3 0.147 4.104 3.960 -0.005 0.000 0.304 189 G C -1.428 173.291 174.900 -0.302 0.000 1.421 189 G CA -1.086 43.941 45.100 -0.122 0.000 0.934 189 G HN 0.582 nan 8.290 nan 0.000 0.632 190 R N -0.019 120.228 120.500 -0.421 0.000 2.570 190 R HA 0.358 4.695 4.340 -0.005 0.000 0.277 190 R C 0.376 175.919 176.300 -1.262 0.000 1.039 190 R CA 0.726 56.269 56.100 -0.929 0.000 1.065 190 R CB -0.190 29.625 30.300 -0.809 0.000 0.964 190 R HN 1.106 nan 8.270 nan 0.000 0.428 191 Y N -0.261 118.677 120.300 -2.270 0.000 4.929 191 Y HA -0.288 4.259 4.550 -0.005 0.000 0.253 191 Y C -0.240 174.845 175.900 -1.360 0.000 0.946 191 Y CA 0.717 57.461 58.100 -2.261 0.000 1.905 191 Y CB -1.362 36.401 38.460 -1.162 0.000 1.400 191 Y HN 0.524 nan 8.280 nan 0.000 0.531 192 K N 1.254 121.218 120.400 -0.727 0.000 2.183 192 K HA 0.364 4.681 4.320 -0.005 0.000 0.274 192 K C -0.119 176.590 176.600 0.181 0.000 1.009 192 K CA -0.795 55.416 56.287 -0.127 0.000 0.888 192 K CB 0.789 33.255 32.500 -0.057 0.000 1.078 192 K HN 0.075 nan 8.250 nan 0.000 0.459 193 F N 2.557 122.600 119.950 0.154 0.000 2.529 193 F HA 0.079 4.603 4.527 -0.005 0.000 0.365 193 F C 0.286 176.223 175.800 0.230 0.000 1.102 193 F CA 0.619 58.751 58.000 0.220 0.000 1.271 193 F CB 0.525 39.611 39.000 0.143 0.000 1.120 193 F HN 0.530 nan 8.300 nan 0.000 0.579 194 D N 2.641 122.610 120.400 -0.719 0.000 2.759 194 D HA 0.191 4.828 4.640 -0.005 0.000 0.321 194 D C -1.674 174.295 176.300 -0.551 0.000 1.267 194 D CA -0.531 53.174 54.000 -0.491 0.000 0.933 194 D CB 1.378 42.113 40.800 -0.107 0.000 1.431 194 D HN 0.413 nan 8.370 nan 0.000 0.504 195 D N 1.164 121.483 120.400 -0.135 0.000 2.455 195 D HA 0.051 4.688 4.640 -0.005 0.000 0.241 195 D C 0.053 176.337 176.300 -0.027 0.000 1.138 195 D CA 0.393 54.396 54.000 0.005 0.000 0.877 195 D CB 0.553 41.421 40.800 0.113 0.000 1.187 195 D HN 0.176 nan 8.370 nan 0.000 0.451 196 E N 2.966 123.169 120.200 0.005 0.000 2.417 196 E HA -0.018 4.329 4.350 -0.005 0.000 0.261 196 E C -1.299 175.313 176.600 0.021 0.000 1.000 196 E CA -1.100 55.299 56.400 -0.001 0.000 0.919 196 E CB 0.832 30.531 29.700 -0.001 0.000 0.955 196 E HN 0.278 nan 8.360 nan 0.000 0.455 197 P HA -0.168 nan 4.420 nan 0.000 0.219 197 P C 1.088 178.366 177.300 -0.037 0.000 1.146 197 P CA 1.390 64.476 63.100 -0.022 0.000 0.808 197 P CB 0.133 31.807 31.700 -0.044 0.000 0.779 198 T N -5.205 109.319 114.554 -0.050 0.000 3.067 198 T HA -0.011 4.336 4.350 -0.005 0.000 0.257 198 T C 0.526 175.028 174.700 -0.330 0.000 1.105 198 T CA 0.591 62.601 62.100 -0.150 0.000 1.104 198 T CB -0.675 68.124 68.868 -0.115 0.000 0.925 198 T HN 0.200 nan 8.240 nan 0.000 0.498 199 H N 1.170 120.277 119.070 0.062 0.000 2.562 199 H HA 0.306 4.859 4.556 -0.005 0.000 0.230 199 H C -2.148 173.350 175.328 0.284 0.000 1.415 199 H CA -1.362 54.808 56.048 0.203 0.000 1.454 199 H CB 1.563 31.456 29.762 0.219 0.000 1.716 199 H HN 0.098 nan 8.280 nan 0.000 0.538 200 P HA -0.036 nan 4.420 nan 0.000 0.227 200 P C 0.118 177.524 177.300 0.176 0.000 1.161 200 P CA 0.600 63.812 63.100 0.187 0.000 0.788 200 P CB 1.346 33.098 31.700 0.086 0.000 0.822 201 V N -0.366 119.621 119.914 0.121 0.000 3.120 201 V HA 0.412 4.529 4.120 -0.005 0.000 0.303 201 V C -1.522 174.441 176.094 -0.218 0.000 1.238 201 V CA -1.015 61.247 62.300 -0.063 0.000 1.008 201 V CB 2.643 34.451 31.823 -0.025 0.000 1.064 201 V HN -0.207 nan 8.190 nan 0.000 0.434 202 V N 4.399 124.069 119.914 -0.406 0.000 2.769 202 V HA 0.626 4.743 4.120 -0.005 0.000 0.312 202 V C -0.485 175.531 176.094 -0.130 0.000 1.061 202 V CA -0.837 61.233 62.300 -0.384 0.000 0.931 202 V CB 1.783 33.196 31.823 -0.683 0.000 1.010 202 V HN 0.716 nan 8.190 nan 0.000 0.433 203 L N 5.171 126.353 121.223 -0.069 0.000 2.287 203 L HA 0.565 4.902 4.340 -0.005 0.000 0.280 203 L C -0.215 176.641 176.870 -0.024 0.000 1.055 203 L CA -0.245 54.582 54.840 -0.023 0.000 0.863 203 L CB 0.754 42.808 42.059 -0.008 0.000 1.245 203 L HN 0.698 nan 8.230 nan 0.000 0.432 204 I N 1.522 122.076 120.570 -0.027 0.000 2.437 204 I HA 0.582 4.749 4.170 -0.005 0.000 0.298 204 I C -2.310 173.778 176.117 -0.048 0.000 0.984 204 I CA -2.510 58.761 61.300 -0.049 0.000 1.214 204 I CB 1.583 39.521 38.000 -0.103 0.000 1.365 204 I HN 0.252 nan 8.210 nan 0.000 0.469 205 P HA 0.011 nan 4.420 nan 0.000 0.268 205 P C 0.905 178.178 177.300 -0.046 0.000 1.204 205 P CA -0.188 62.893 63.100 -0.033 0.000 0.768 205 P CB 1.642 33.328 31.700 -0.024 0.000 0.842 206 V N 1.168 121.062 119.914 -0.033 0.000 2.594 206 V HA -0.142 3.975 4.120 -0.005 0.000 0.253 206 V C 1.038 177.113 176.094 -0.031 0.000 1.069 206 V CA 1.940 64.220 62.300 -0.034 0.000 1.082 206 V CB -1.068 30.745 31.823 -0.018 0.000 0.680 206 V HN 0.590 nan 8.190 nan 0.000 0.469 207 D N -0.318 120.069 120.400 -0.023 0.000 2.471 207 D HA 0.269 4.906 4.640 -0.005 0.000 0.245 207 D C -1.578 174.712 176.300 -0.017 0.000 1.116 207 D CA -2.351 51.639 54.000 -0.016 0.000 0.853 207 D CB 2.146 42.942 40.800 -0.007 0.000 1.123 207 D HN 0.005 nan 8.370 nan 0.000 0.540 208 P HA -0.108 nan 4.420 nan 0.000 0.222 208 P C 0.416 177.711 177.300 -0.009 0.000 1.147 208 P CA 0.653 63.741 63.100 -0.019 0.000 0.790 208 P CB 0.451 32.139 31.700 -0.021 0.000 0.780 209 N N -0.259 118.441 118.700 0.000 0.000 2.383 209 N HA -0.019 4.718 4.740 -0.005 0.000 0.192 209 N C 0.258 175.769 175.510 0.002 0.000 1.141 209 N CA 0.419 53.472 53.050 0.006 0.000 0.851 209 N CB -0.261 38.235 38.487 0.015 0.000 0.976 209 N HN 0.134 nan 8.380 nan 0.000 0.465 210 N N 0.510 119.208 118.700 -0.003 0.000 2.716 210 N HA 0.155 4.891 4.740 -0.005 0.000 0.245 210 N C -2.209 173.298 175.510 -0.006 0.000 1.495 210 N CA -1.446 51.602 53.050 -0.003 0.000 0.759 210 N CB 1.083 39.568 38.487 -0.003 0.000 1.261 210 N HN -0.101 nan 8.380 nan 0.000 0.515 211 P HA 0.016 nan 4.420 nan 0.000 0.230 211 P C -0.182 177.116 177.300 -0.004 0.000 1.158 211 P CA 0.860 63.956 63.100 -0.006 0.000 0.769 211 P CB 0.404 32.102 31.700 -0.004 0.000 0.807 212 N N -0.750 117.948 118.700 -0.004 0.000 2.203 212 N HA 0.166 4.902 4.740 -0.005 0.000 0.207 212 N C 1.117 176.625 175.510 -0.003 0.000 1.130 212 N CA -0.084 52.964 53.050 -0.003 0.000 0.861 212 N CB 0.368 38.853 38.487 -0.004 0.000 1.005 212 N HN 0.089 nan 8.380 nan 0.000 0.507 213 G N 1.001 109.799 108.800 -0.004 0.000 2.531 213 G HA2 0.272 4.229 3.960 -0.005 0.000 0.253 213 G HA3 0.272 4.229 3.960 -0.005 0.000 0.253 213 G C -2.286 172.612 174.900 -0.003 0.000 1.439 213 G CA -0.789 44.309 45.100 -0.003 0.000 1.056 213 G HN -0.046 nan 8.290 nan 0.000 0.555 214 P HA 0.231 nan 4.420 nan 0.000 0.268 214 P C -0.728 176.569 177.300 -0.005 0.000 1.204 214 P CA 0.099 63.197 63.100 -0.002 0.000 0.768 214 P CB 1.210 32.909 31.700 -0.000 0.000 0.842 215 K N 3.272 123.671 120.400 -0.003 0.000 2.168 215 K HA 0.669 4.986 4.320 -0.005 0.000 0.239 215 K C 0.443 177.043 176.600 0.001 0.000 0.999 215 K CA -0.731 55.553 56.287 -0.005 0.000 0.900 215 K CB 1.249 33.747 32.500 -0.003 0.000 1.111 215 K HN 0.650 nan 8.250 nan 0.000 0.452 216 M N -0.445 119.157 119.600 0.002 0.000 2.378 216 M HA 0.434 4.911 4.480 -0.005 0.000 0.289 216 M C -2.819 173.510 176.300 0.048 0.000 1.136 216 M CA -2.037 53.277 55.300 0.023 0.000 0.917 216 M CB 2.692 35.305 32.600 0.021 0.000 1.669 216 M HN 0.087 nan 8.290 nan 0.000 0.461 217 P HA 0.271 nan 4.420 nan 0.000 0.271 217 P C -1.636 175.763 177.300 0.166 0.000 1.216 217 P CA 0.356 63.496 63.100 0.067 0.000 0.771 217 P CB 0.582 32.308 31.700 0.043 0.000 0.864 218 F N 2.948 122.842 119.950 -0.093 0.000 2.619 218 F HA 0.483 5.007 4.527 -0.005 0.000 0.308 218 F C -0.691 175.025 175.800 -0.140 0.000 1.097 218 F CA -0.997 56.953 58.000 -0.084 0.000 0.953 218 F CB 2.324 41.272 39.000 -0.087 0.000 1.287 218 F HN 0.151 nan 8.300 nan 0.000 0.446 219 R N 3.933 123.918 120.500 -0.859 0.000 2.388 219 R HA 0.417 4.753 4.340 -0.005 0.000 0.314 219 R C -1.130 174.633 176.300 -0.895 0.000 0.959 219 R CA -0.727 55.012 56.100 -0.601 0.000 0.851 219 R CB 1.928 32.068 30.300 -0.266 0.000 1.168 219 R HN 0.650 nan 8.270 nan 0.000 0.472 220 Q N 2.046 121.594 119.800 -0.421 0.000 2.226 220 Q HA 0.415 4.752 4.340 -0.005 0.000 0.256 220 Q C -1.201 174.558 176.000 -0.401 0.000 0.962 220 Q CA -0.635 55.062 55.803 -0.178 0.000 0.887 220 Q CB 1.840 30.834 28.738 0.426 0.000 1.282 220 Q HN 0.431 nan 8.270 nan 0.000 0.449 221 Y N -0.413 120.135 120.300 0.414 0.000 2.361 221 Y HA 0.177 4.724 4.550 -0.005 0.000 0.328 221 Y C -0.787 175.349 175.900 0.394 0.000 1.044 221 Y CA -0.960 57.430 58.100 0.483 0.000 1.085 221 Y CB 1.215 39.887 38.460 0.352 0.000 1.194 221 Y HN 0.652 nan 8.280 nan 0.000 0.438 222 H N 3.278 122.742 119.070 0.657 0.000 3.089 222 H HA 0.504 5.057 4.556 -0.005 0.000 0.262 222 H C 0.452 176.069 175.328 0.480 0.000 1.160 222 H CA 0.359 56.740 56.048 0.555 0.000 1.482 222 H CB 0.116 30.302 29.762 0.706 0.000 1.511 222 H HN 0.878 nan 8.280 nan 0.000 0.483 223 A N 5.882 128.524 122.820 -0.297 0.000 2.362 223 A HA -0.152 4.165 4.320 -0.005 0.000 0.290 223 A C -1.427 175.824 177.584 -0.554 0.000 1.441 223 A CA 0.357 52.176 52.037 -0.363 0.000 0.743 223 A CB -1.184 17.512 19.000 -0.506 0.000 1.125 223 A HN 0.758 nan 8.150 nan 0.000 0.378 224 P HA -0.029 nan 4.420 nan 0.000 0.226 224 P C 0.791 177.302 177.300 -1.314 0.000 1.153 224 P CA 1.149 62.837 63.100 -2.353 0.000 0.777 224 P CB -0.101 29.971 31.700 -2.713 0.000 0.794 225 F N -3.341 116.397 119.950 -0.354 0.000 2.724 225 F HA 0.188 4.712 4.527 -0.005 0.000 0.306 225 F C 2.401 178.172 175.800 -0.049 0.000 1.100 225 F CA -0.792 57.119 58.000 -0.149 0.000 1.255 225 F CB -1.333 37.606 39.000 -0.102 0.000 1.072 225 F HN -0.224 nan 8.300 nan 0.000 0.589 226 Y N 1.859 122.146 120.300 -0.021 0.000 2.040 226 Y HA -0.258 4.289 4.550 -0.005 0.000 0.275 226 Y C 2.511 178.403 175.900 -0.013 0.000 1.171 226 Y CA 1.927 60.009 58.100 -0.030 0.000 1.123 226 Y CB -0.873 37.524 38.460 -0.106 0.000 0.963 226 Y HN 0.077 nan 8.280 nan 0.000 0.493 227 G N -0.005 108.809 108.800 0.024 0.000 2.442 227 G HA2 -0.342 3.615 3.960 -0.005 0.000 0.219 227 G HA3 -0.342 3.615 3.960 -0.005 0.000 0.219 227 G C 1.548 176.347 174.900 -0.168 0.000 1.141 227 G CA 1.318 46.352 45.100 -0.110 0.000 0.763 227 G HN 0.605 nan 8.290 nan 0.000 0.554 228 K N -0.014 120.357 120.400 -0.048 0.000 2.361 228 K HA 0.091 4.408 4.320 -0.005 0.000 0.196 228 K C 1.991 178.560 176.600 -0.052 0.000 1.039 228 K CA 1.529 57.798 56.287 -0.030 0.000 1.001 228 K CB -0.019 32.509 32.500 0.047 0.000 0.795 228 K HN 0.342 nan 8.250 nan 0.000 0.495 229 T N -3.056 111.452 114.554 -0.077 0.000 2.978 229 T HA 0.040 4.387 4.350 -0.005 0.000 0.248 229 T C 1.010 175.635 174.700 -0.125 0.000 1.018 229 T CA -0.039 62.017 62.100 -0.072 0.000 1.026 229 T CB 0.016 68.868 68.868 -0.028 0.000 1.032 229 T HN 0.067 nan 8.240 nan 0.000 0.485 230 T N 2.192 116.596 114.554 -0.251 0.000 2.900 230 T HA 0.228 4.575 4.350 -0.005 0.000 0.307 230 T C -0.180 174.408 174.700 -0.187 0.000 1.065 230 T CA -0.225 61.702 62.100 -0.289 0.000 1.105 230 T CB 0.238 68.690 68.868 -0.694 0.000 0.979 230 T HN 0.253 nan 8.240 nan 0.000 0.544 231 K N 3.293 123.647 120.400 -0.077 0.000 2.322 231 K HA 0.255 4.572 4.320 -0.005 0.000 0.283 231 K C 0.113 176.773 176.600 0.101 0.000 1.042 231 K CA -0.496 55.800 56.287 0.015 0.000 0.958 231 K CB 0.643 33.166 32.500 0.039 0.000 0.984 231 K HN 0.401 nan 8.250 nan 0.000 0.473 232 R N 1.613 122.182 120.500 0.115 0.000 2.615 232 R HA 0.140 4.477 4.340 -0.005 0.000 0.270 232 R C 0.720 177.291 176.300 0.452 0.000 1.081 232 R CA -0.045 56.183 56.100 0.213 0.000 1.154 232 R CB 0.093 30.501 30.300 0.180 0.000 1.063 232 R HN 0.488 nan 8.270 nan 0.000 0.519 233 F N -0.107 119.924 119.950 0.135 0.000 2.138 233 F HA 0.231 4.755 4.527 -0.004 0.000 0.283 233 F C 1.727 177.748 175.800 0.368 0.000 1.100 233 F CA 1.382 59.514 58.000 0.221 0.000 1.189 233 F CB -0.473 38.592 39.000 0.109 0.000 1.060 233 F HN 0.592 nan 8.300 nan 0.000 0.492 234 A N -0.915 122.207 122.820 0.504 0.000 2.551 234 A HA 0.243 4.560 4.320 -0.005 0.000 0.252 234 A C 0.395 178.152 177.584 0.288 0.000 1.199 234 A CA 0.163 52.447 52.037 0.412 0.000 0.972 234 A CB -1.116 18.128 19.000 0.406 0.000 1.153 234 A HN 0.226 nan 8.150 nan 0.000 0.559 235 T N -0.961 113.775 114.554 0.303 0.000 2.930 235 T HA 0.267 4.614 4.350 -0.005 0.000 0.306 235 T C 0.318 175.161 174.700 0.239 0.000 1.045 235 T CA -0.145 62.132 62.100 0.295 0.000 1.134 235 T CB 0.974 70.100 68.868 0.430 0.000 0.961 235 T HN 0.181 nan 8.240 nan 0.000 0.545 236 Q N 0.961 120.876 119.800 0.191 0.000 2.247 236 Q HA 0.249 4.586 4.340 -0.005 0.000 0.204 236 Q C 0.468 176.515 176.000 0.078 0.000 0.872 236 Q CA -0.107 55.767 55.803 0.119 0.000 0.951 236 Q CB 0.188 28.979 28.738 0.087 0.000 1.099 236 Q HN 0.969 nan 8.270 nan 0.000 0.501 237 S N -1.369 114.373 115.700 0.071 0.000 2.636 237 S HA 0.409 4.876 4.470 -0.005 0.000 0.266 237 S C -1.051 173.459 174.600 -0.150 0.000 1.147 237 S CA -0.978 57.192 58.200 -0.051 0.000 0.815 237 S CB 1.773 64.877 63.200 -0.159 0.000 1.119 237 S HN -0.107 nan 8.310 nan 0.000 0.470 238 E N 1.454 121.553 120.200 -0.169 0.000 2.301 238 E HA 0.415 4.762 4.350 -0.005 0.000 0.275 238 E C -0.621 175.507 176.600 -0.787 0.000 1.030 238 E CA -0.245 55.991 56.400 -0.273 0.000 0.852 238 E CB 0.575 30.228 29.700 -0.079 0.000 1.060 238 E HN 0.622 nan 8.360 nan 0.000 0.401 239 H N 2.162 120.611 119.070 -1.035 0.000 2.492 239 H HA 0.438 4.990 4.556 -0.006 0.000 0.345 239 H C -0.533 174.318 175.328 -0.795 0.000 1.136 239 H CA -0.411 55.185 56.048 -0.753 0.000 1.202 239 H CB 0.984 30.257 29.762 -0.814 0.000 1.524 239 H HN 0.292 nan 8.280 nan 0.000 0.506 240 F N 1.026 121.032 119.950 0.094 0.000 2.588 240 F HA 0.440 4.964 4.527 -0.006 0.000 0.314 240 F C -0.255 175.616 175.800 0.119 0.000 1.069 240 F CA -0.797 57.230 58.000 0.045 0.000 0.931 240 F CB 1.779 40.656 39.000 -0.205 0.000 1.260 240 F HN 0.134 nan 8.300 nan 0.000 0.465 241 L N 1.435 122.840 121.223 0.304 0.000 2.319 241 L HA 0.810 5.147 4.340 -0.005 0.000 0.267 241 L C 0.062 177.085 176.870 0.255 0.000 1.011 241 L CA -1.282 53.726 54.840 0.279 0.000 0.818 241 L CB 1.843 44.027 42.059 0.209 0.000 1.316 241 L HN 0.809 nan 8.230 nan 0.000 0.432 242 A N 0.478 123.438 122.820 0.234 0.000 2.386 242 A HA 0.150 4.467 4.320 -0.005 0.000 0.246 242 A C -0.469 177.062 177.584 -0.088 0.000 1.089 242 A CA -0.376 51.733 52.037 0.120 0.000 0.790 242 A CB -0.002 19.061 19.000 0.105 0.000 1.042 242 A HN 0.685 nan 8.150 nan 0.000 0.497 243 D N 1.982 122.267 120.400 -0.191 0.000 2.424 243 D HA 0.284 4.921 4.640 -0.005 0.000 0.244 243 D C -2.075 173.755 176.300 -0.783 0.000 1.134 243 D CA -0.564 53.155 54.000 -0.469 0.000 0.881 243 D CB 0.545 41.206 40.800 -0.233 0.000 1.191 243 D HN 0.311 nan 8.370 nan 0.000 0.445 244 P HA 0.169 nan 4.420 nan 0.000 0.272 244 P C -2.662 173.919 177.300 -1.199 0.000 1.223 244 P CA -1.431 60.683 63.100 -1.643 0.000 0.784 244 P CB -0.169 30.113 31.700 -2.363 0.000 0.923 245 P HA 0.028 nan 4.420 nan 0.000 0.261 245 P C 1.061 177.908 177.300 -0.755 0.000 1.183 245 P CA 1.667 64.259 63.100 -0.846 0.000 0.761 245 P CB -0.352 30.838 31.700 -0.850 0.000 0.785 246 G N 2.244 110.635 108.800 -0.682 0.000 2.232 246 G HA2 -0.181 3.776 3.960 -0.005 0.000 0.226 246 G HA3 -0.181 3.776 3.960 -0.005 0.000 0.226 246 G C -0.215 174.131 174.900 -0.923 0.000 0.996 246 G CA -0.471 44.016 45.100 -1.023 0.000 0.626 246 G HN 0.458 nan 8.290 nan 0.000 0.509 247 L N 0.222 121.071 121.223 -0.624 0.000 2.342 247 L HA 0.703 5.040 4.340 -0.005 0.000 0.271 247 L C 1.565 178.282 176.870 -0.254 0.000 1.008 247 L CA -0.981 53.629 54.840 -0.382 0.000 0.818 247 L CB 1.655 43.560 42.059 -0.256 0.000 1.296 247 L HN 0.397 nan 8.230 nan 0.000 0.427 248 R N 0.439 120.852 120.500 -0.144 0.000 3.793 248 R HA -0.318 4.019 4.340 -0.005 0.000 0.464 248 R C 1.554 177.792 176.300 -0.103 0.000 0.241 248 R CA 1.809 57.857 56.100 -0.087 0.000 1.464 248 R CB -1.547 28.738 30.300 -0.025 0.000 0.954 248 R HN 0.859 nan 8.270 nan 0.000 0.583 249 S N 0.801 116.450 115.700 -0.084 0.000 2.469 249 S HA -0.044 4.423 4.470 -0.005 0.000 0.238 249 S C 0.977 175.509 174.600 -0.113 0.000 0.998 249 S CA 1.470 59.623 58.200 -0.077 0.000 0.957 249 S CB -0.092 63.081 63.200 -0.044 0.000 0.764 249 S HN 0.438 nan 8.310 nan 0.000 0.514 250 N N 0.807 119.402 118.700 -0.176 0.000 2.275 250 N HA 0.424 5.161 4.740 -0.005 0.000 0.236 250 N C 1.065 176.417 175.510 -0.263 0.000 1.154 250 N CA 0.600 53.518 53.050 -0.219 0.000 0.866 250 N CB 0.676 38.991 38.487 -0.287 0.000 1.093 250 N HN 0.505 nan 8.380 nan 0.000 0.515 251 A N 0.970 123.652 122.820 -0.231 0.000 2.125 251 A HA -0.147 4.170 4.320 -0.005 0.000 0.219 251 A C 1.666 179.138 177.584 -0.187 0.000 1.156 251 A CA 1.227 53.114 52.037 -0.250 0.000 0.671 251 A CB -0.138 18.753 19.000 -0.183 0.000 0.794 251 A HN 0.334 nan 8.150 nan 0.000 0.459 252 D N -0.794 119.521 120.400 -0.142 0.000 2.349 252 D HA -0.035 4.602 4.640 -0.005 0.000 0.215 252 D C 0.265 176.510 176.300 -0.091 0.000 1.016 252 D CA 0.296 54.238 54.000 -0.097 0.000 0.870 252 D CB -0.227 40.530 40.800 -0.072 0.000 0.917 252 D HN 0.264 nan 8.370 nan 0.000 0.524 253 E N 1.327 121.449 120.200 -0.130 0.000 2.773 253 E HA 0.016 4.363 4.350 -0.005 0.000 0.302 253 E C 1.282 177.842 176.600 -0.066 0.000 1.574 253 E CA -0.021 56.313 56.400 -0.110 0.000 1.775 253 E CB -0.300 29.295 29.700 -0.174 0.000 1.413 253 E HN 0.340 nan 8.360 nan 0.000 0.471 254 T N -2.956 111.582 114.554 -0.028 0.000 2.904 254 T HA -0.080 4.267 4.350 -0.005 0.000 0.267 254 T C 1.935 176.689 174.700 0.090 0.000 1.059 254 T CA 0.729 62.853 62.100 0.039 0.000 1.137 254 T CB 0.032 68.912 68.868 0.020 0.000 0.879 254 T HN 0.196 nan 8.240 nan 0.000 0.467 255 A N 1.919 124.772 122.820 0.055 0.000 1.902 255 A HA -0.056 4.261 4.320 -0.005 0.000 0.217 255 A C 2.312 179.954 177.584 0.097 0.000 1.181 255 A CA 1.944 54.021 52.037 0.067 0.000 0.623 255 A CB -0.821 18.201 19.000 0.037 0.000 0.818 255 A HN 0.589 nan 8.150 nan 0.000 0.443 256 E N -0.939 119.316 120.200 0.091 0.000 2.051 256 E HA -0.229 4.118 4.350 -0.005 0.000 0.192 256 E C 1.809 178.508 176.600 0.166 0.000 0.991 256 E CA 1.806 58.283 56.400 0.128 0.000 0.799 256 E CB -0.655 29.081 29.700 0.059 0.000 0.748 256 E HN 0.622 nan 8.360 nan 0.000 0.449 257 Y N 1.269 121.584 120.300 0.025 0.000 2.128 257 Y HA -0.218 4.328 4.550 -0.005 0.000 0.284 257 Y C 1.772 177.754 175.900 0.137 0.000 1.154 257 Y CA 2.417 60.560 58.100 0.072 0.000 1.149 257 Y CB -0.401 38.068 38.460 0.015 0.000 0.976 257 Y HN 0.111 nan 8.280 nan 0.000 0.505 258 D N -0.146 120.343 120.400 0.149 0.000 2.123 258 D HA -0.192 4.445 4.640 -0.005 0.000 0.196 258 D C 1.779 178.133 176.300 0.090 0.000 0.992 258 D CA 1.828 55.882 54.000 0.090 0.000 0.833 258 D CB -0.543 40.323 40.800 0.110 0.000 0.954 258 D HN 0.458 nan 8.370 nan 0.000 0.455 259 D N -0.247 120.220 120.400 0.111 0.000 2.178 259 D HA -0.020 4.617 4.640 -0.005 0.000 0.202 259 D C 1.913 178.283 176.300 0.116 0.000 0.974 259 D CA 1.203 55.277 54.000 0.123 0.000 0.841 259 D CB -0.033 40.862 40.800 0.159 0.000 0.953 259 D HN 0.100 nan 8.370 nan 0.000 0.478 260 A N -0.216 122.677 122.820 0.122 0.000 1.902 260 A HA -0.127 4.190 4.320 -0.005 0.000 0.217 260 A C 2.438 180.122 177.584 0.168 0.000 1.181 260 A CA 1.446 53.585 52.037 0.170 0.000 0.623 260 A CB -0.784 18.378 19.000 0.270 0.000 0.818 260 A HN 0.200 nan 8.150 nan 0.000 0.443 261 V N -0.266 119.685 119.914 0.061 0.000 2.343 261 V HA -0.257 3.860 4.120 -0.005 0.000 0.247 261 V C 2.625 178.693 176.094 -0.044 0.000 1.051 261 V CA 2.348 64.684 62.300 0.060 0.000 1.036 261 V CB -0.785 31.029 31.823 -0.014 0.000 0.654 261 V HN 0.641 nan 8.190 nan 0.000 0.451 262 R N -0.199 120.302 120.500 0.003 0.000 2.073 262 R HA -0.137 4.200 4.340 -0.005 0.000 0.234 262 R C 2.199 178.486 176.300 -0.021 0.000 1.134 262 R CA 1.741 57.834 56.100 -0.013 0.000 0.952 262 R CB -0.433 29.889 30.300 0.036 0.000 0.850 262 R HN 0.373 nan 8.270 nan 0.000 0.433 263 V N 0.864 120.790 119.914 0.020 0.000 2.407 263 V HA -0.222 3.895 4.120 -0.005 0.000 0.248 263 V C 2.375 178.478 176.094 0.015 0.000 1.055 263 V CA 1.821 64.140 62.300 0.032 0.000 1.049 263 V CB -0.706 31.145 31.823 0.046 0.000 0.662 263 V HN 0.552 nan 8.190 nan 0.000 0.455 264 A N 0.238 123.032 122.820 -0.044 0.000 1.865 264 A HA -0.215 4.101 4.320 -0.005 0.000 0.217 264 A C 2.177 179.671 177.584 -0.149 0.000 1.191 264 A CA 2.179 54.136 52.037 -0.133 0.000 0.623 264 A CB -0.569 18.226 19.000 -0.341 0.000 0.826 264 A HN 0.501 nan 8.150 nan 0.000 0.444 265 I N -0.328 120.023 120.570 -0.364 0.000 2.179 265 I HA -0.287 3.880 4.170 -0.005 0.000 0.242 265 I C 2.979 179.145 176.117 0.082 0.000 1.088 265 I CA 1.210 62.290 61.300 -0.366 0.000 1.357 265 I CB -0.374 37.338 38.000 -0.480 0.000 1.051 265 I HN 0.361 nan 8.210 nan 0.000 0.409 266 A N 0.393 123.240 122.820 0.044 0.000 1.898 266 A HA -0.151 4.166 4.320 -0.005 0.000 0.216 266 A C 2.236 179.911 177.584 0.151 0.000 1.181 266 A CA 1.476 53.572 52.037 0.098 0.000 0.620 266 A CB -0.275 18.765 19.000 0.066 0.000 0.819 266 A HN 0.310 nan 8.150 nan 0.000 0.442 267 M N -1.424 118.284 119.600 0.179 0.000 2.501 267 M HA 0.131 4.608 4.480 -0.005 0.000 0.261 267 M C 1.771 178.235 176.300 0.273 0.000 1.129 267 M CA 1.136 56.587 55.300 0.253 0.000 1.126 267 M CB -0.851 31.948 32.600 0.332 0.000 1.359 267 M HN 0.432 nan 8.290 nan 0.000 0.471 268 G N -0.243 108.725 108.800 0.280 0.000 3.519 268 G HA2 0.412 4.369 3.960 -0.005 0.000 0.269 268 G HA3 0.412 4.369 3.960 -0.005 0.000 0.269 268 G C 0.633 175.645 174.900 0.187 0.000 1.028 268 G CA -0.047 45.199 45.100 0.245 0.000 0.809 268 G HN 0.483 nan 8.290 nan 0.000 0.521 269 G N 0.130 109.107 108.800 0.295 0.000 2.634 269 G HA2 0.529 4.486 3.960 -0.005 0.000 0.255 269 G HA3 0.529 4.486 3.960 -0.005 0.000 0.255 269 G C 0.569 175.401 174.900 -0.114 0.000 1.205 269 G CA 0.214 45.337 45.100 0.038 0.000 0.884 269 G HN 0.557 nan 8.290 nan 0.000 0.549 270 A N -0.382 122.295 122.820 -0.239 0.000 2.507 270 A HA 0.174 4.491 4.320 -0.005 0.000 0.235 270 A C 1.579 179.121 177.584 -0.070 0.000 1.070 270 A CA 0.664 52.604 52.037 -0.162 0.000 0.768 270 A CB 0.194 19.087 19.000 -0.178 0.000 1.011 270 A HN 0.890 nan 8.150 nan 0.000 0.502 271 Q N 1.348 121.114 119.800 -0.057 0.000 2.096 271 Q HA -0.243 4.094 4.340 -0.005 0.000 0.208 271 Q C 1.742 177.732 176.000 -0.016 0.000 0.993 271 Q CA 2.296 58.080 55.803 -0.031 0.000 0.862 271 Q CB -0.250 28.467 28.738 -0.034 0.000 0.915 271 Q HN 0.916 nan 8.270 nan 0.000 0.416 272 A N 0.113 122.920 122.820 -0.022 0.000 2.251 272 A HA 0.210 4.527 4.320 -0.005 0.000 0.209 272 A C 0.570 178.155 177.584 0.003 0.000 1.187 272 A CA -0.199 51.831 52.037 -0.010 0.000 0.823 272 A CB -0.086 18.904 19.000 -0.017 0.000 0.846 272 A HN 0.321 nan 8.150 nan 0.000 0.486 273 L N 0.596 121.826 121.223 0.012 0.000 2.380 273 L HA 0.100 4.437 4.340 -0.005 0.000 0.273 273 L C 0.882 177.785 176.870 0.054 0.000 1.138 273 L CA -0.759 54.106 54.840 0.042 0.000 0.832 273 L CB 0.317 42.422 42.059 0.076 0.000 1.124 273 L HN 0.257 nan 8.230 nan 0.000 0.454 274 N N 0.942 119.673 118.700 0.052 0.000 2.289 274 N HA -0.142 4.595 4.740 -0.005 0.000 0.184 274 N C 1.674 177.220 175.510 0.060 0.000 1.016 274 N CA 1.481 54.559 53.050 0.046 0.000 0.872 274 N CB 0.014 38.523 38.487 0.037 0.000 0.973 274 N HN 0.708 nan 8.380 nan 0.000 0.433 275 S N -1.044 114.708 115.700 0.087 0.000 2.562 275 S HA 0.048 4.515 4.470 -0.005 0.000 0.221 275 S C 0.776 175.443 174.600 0.111 0.000 0.975 275 S CA -0.067 58.190 58.200 0.094 0.000 0.918 275 S CB -0.225 63.044 63.200 0.114 0.000 0.772 275 S HN -0.004 nan 8.310 nan 0.000 0.531 276 T N 3.505 118.127 114.554 0.114 0.000 2.761 276 T HA 0.311 4.658 4.350 -0.005 0.000 0.296 276 T C 0.582 175.329 174.700 0.077 0.000 0.934 276 T CA -0.493 61.674 62.100 0.112 0.000 1.091 276 T CB 0.970 69.893 68.868 0.091 0.000 0.896 276 T HN 0.123 nan 8.240 nan 0.000 0.515 277 K N 1.827 122.276 120.400 0.082 0.000 2.374 277 K HA 0.128 4.445 4.320 -0.005 0.000 0.202 277 K C 0.889 177.525 176.600 0.060 0.000 1.040 277 K CA -0.237 56.089 56.287 0.066 0.000 1.085 277 K CB 0.431 32.973 32.500 0.070 0.000 0.873 277 K HN 0.430 nan 8.250 nan 0.000 0.539 278 R N 2.646 123.180 120.500 0.056 0.000 2.570 278 R HA 0.016 4.352 4.340 -0.005 0.000 0.277 278 R C 0.141 176.422 176.300 -0.032 0.000 1.039 278 R CA 0.293 56.393 56.100 0.000 0.000 1.065 278 R CB 0.485 30.776 30.300 -0.015 0.000 0.964 278 R HN 0.104 nan 8.270 nan 0.000 0.428 279 S N 4.131 119.795 115.700 -0.059 0.000 2.632 279 S HA 0.247 4.714 4.470 -0.005 0.000 0.267 279 S C -1.861 172.716 174.600 -0.038 0.000 1.276 279 S CA -1.314 56.875 58.200 -0.019 0.000 0.998 279 S CB 1.565 64.784 63.200 0.030 0.000 0.953 279 S HN 0.505 nan 8.310 nan 0.000 0.547 280 P HA -0.093 nan 4.420 nan 0.000 0.216 280 P C 1.236 178.568 177.300 0.054 0.000 1.150 280 P CA 1.066 64.184 63.100 0.030 0.000 0.837 280 P CB -0.076 31.664 31.700 0.066 0.000 0.786 281 W N 0.680 121.925 121.300 -0.092 0.000 2.381 281 W HA -0.160 4.497 4.660 -0.005 0.000 0.301 281 W C 1.692 178.116 176.519 -0.159 0.000 1.205 281 W CA 1.258 58.547 57.345 -0.094 0.000 1.285 281 W CB -0.307 29.110 29.460 -0.071 0.000 1.133 281 W HN 0.026 nan 8.180 nan 0.000 0.521 282 Q N -0.359 119.231 119.800 -0.349 0.000 2.167 282 Q HA -0.155 4.182 4.340 -0.005 0.000 0.202 282 Q C 2.052 177.649 176.000 -0.671 0.000 0.970 282 Q CA 2.197 57.498 55.803 -0.837 0.000 0.855 282 Q CB -0.451 27.579 28.738 -1.180 0.000 0.911 282 Q HN 0.111 nan 8.270 nan 0.000 0.438 283 T N 0.802 115.138 114.554 -0.364 0.000 2.746 283 T HA -0.148 4.198 4.350 -0.005 0.000 0.267 283 T C 1.920 176.520 174.700 -0.167 0.000 1.039 283 T CA 1.190 63.175 62.100 -0.191 0.000 1.142 283 T CB -0.243 68.559 68.868 -0.111 0.000 0.866 283 T HN 0.397 nan 8.240 nan 0.000 0.444 284 A N 1.455 124.119 122.820 -0.259 0.000 1.902 284 A HA -0.161 4.156 4.320 -0.005 0.000 0.217 284 A C 2.285 179.709 177.584 -0.266 0.000 1.181 284 A CA 1.464 53.334 52.037 -0.278 0.000 0.623 284 A CB -0.643 18.101 19.000 -0.427 0.000 0.818 284 A HN 0.542 nan 8.150 nan 0.000 0.443 285 Q N -0.725 118.834 119.800 -0.400 0.000 2.124 285 Q HA -0.118 4.219 4.340 -0.005 0.000 0.202 285 Q C 2.191 178.341 176.000 0.251 0.000 0.977 285 Q CA 1.200 56.943 55.803 -0.100 0.000 0.850 285 Q CB -0.428 28.258 28.738 -0.087 0.000 0.901 285 Q HN 0.695 nan 8.270 nan 0.000 0.429 286 G N 0.900 109.827 108.800 0.212 0.000 2.404 286 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.215 286 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.215 286 G C 1.396 176.400 174.900 0.175 0.000 1.174 286 G CA 0.416 45.660 45.100 0.240 0.000 0.780 286 G HN 0.161 nan 8.290 nan 0.000 0.537 287 L N -0.991 120.287 121.223 0.092 0.000 2.093 287 L HA -0.030 4.307 4.340 -0.005 0.000 0.208 287 L C 2.563 179.465 176.870 0.053 0.000 1.085 287 L CA 0.994 55.859 54.840 0.042 0.000 0.755 287 L CB -0.598 41.449 42.059 -0.020 0.000 0.904 287 L HN 0.270 nan 8.230 nan 0.000 0.435 288 Y N 0.127 120.390 120.300 -0.060 0.000 2.139 288 Y HA -0.297 4.250 4.550 -0.005 0.000 0.282 288 Y C 1.757 177.496 175.900 -0.268 0.000 1.179 288 Y CA 2.009 59.992 58.100 -0.195 0.000 1.161 288 Y CB -0.257 38.068 38.460 -0.225 0.000 0.970 288 Y HN 0.112 nan 8.280 nan 0.000 0.511 289 W N -1.096 120.349 121.300 0.241 0.000 3.316 289 W HA 0.380 5.037 4.660 -0.005 0.000 0.327 289 W C 2.047 178.729 176.519 0.271 0.000 1.232 289 W CA 0.318 57.832 57.345 0.282 0.000 1.805 289 W CB -0.571 29.139 29.460 0.416 0.000 1.090 289 W HN 0.089 nan 8.180 nan 0.000 0.654 290 A N 0.197 123.206 122.820 0.315 0.000 1.836 290 A HA -0.256 4.061 4.320 -0.005 0.000 0.215 290 A C 0.481 178.290 177.584 0.373 0.000 1.214 290 A CA 1.365 53.553 52.037 0.252 0.000 0.636 290 A CB -1.432 17.605 19.000 0.062 0.000 0.847 290 A HN 0.355 nan 8.150 nan 0.000 0.451 291 Y N -2.092 118.160 120.300 -0.081 0.000 3.001 291 Y HA -0.163 4.384 4.550 -0.005 0.000 0.199 291 Y C 1.217 177.074 175.900 -0.071 0.000 1.320 291 Y CA 0.147 58.161 58.100 -0.143 0.000 0.974 291 Y CB -1.850 36.489 38.460 -0.203 0.000 1.291 291 Y HN 0.516 nan 8.280 nan 0.000 0.465 292 A N 0.703 123.524 122.820 0.002 0.000 2.426 292 A HA 0.462 4.779 4.320 -0.005 0.000 0.247 292 A C 1.798 179.353 177.584 -0.047 0.000 1.389 292 A CA 0.700 52.747 52.037 0.016 0.000 1.129 292 A CB -1.047 17.945 19.000 -0.013 0.000 0.928 292 A HN 1.807 nan 8.150 nan 0.000 0.557 293 G N -0.277 108.443 108.800 -0.133 0.000 2.221 293 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.265 293 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.265 293 G C 0.328 175.167 174.900 -0.102 0.000 1.041 293 G CA 0.403 45.380 45.100 -0.206 0.000 0.807 293 G HN 0.707 nan 8.290 nan 0.000 0.502 294 S N -0.017 115.584 115.700 -0.166 0.000 2.624 294 S HA 0.423 4.890 4.470 -0.005 0.000 0.263 294 S C 0.676 175.166 174.600 -0.184 0.000 1.287 294 S CA -0.759 57.340 58.200 -0.168 0.000 0.990 294 S CB 0.575 63.642 63.200 -0.223 0.000 0.950 294 S HN 0.434 nan 8.310 nan 0.000 0.561 295 N N 1.422 119.984 118.700 -0.230 0.000 2.412 295 N HA 0.093 4.830 4.740 -0.005 0.000 0.258 295 N C 0.714 176.018 175.510 -0.344 0.000 1.236 295 N CA 0.275 53.125 53.050 -0.334 0.000 0.882 295 N CB -0.256 37.856 38.487 -0.625 0.000 1.066 295 N HN 0.666 nan 8.380 nan 0.000 0.465 296 L N 0.488 121.551 121.223 -0.265 0.000 4.884 296 L HA -0.312 4.025 4.340 -0.005 0.000 0.430 296 L C 0.688 177.429 176.870 -0.215 0.000 1.087 296 L CA 0.643 55.357 54.840 -0.211 0.000 1.033 296 L CB -1.499 40.425 42.059 -0.225 0.000 2.030 296 L HN 0.601 nan 8.230 nan 0.000 0.762 297 I N -2.047 118.371 120.570 -0.253 0.000 3.739 297 I HA 0.401 4.568 4.170 -0.005 0.000 0.272 297 I C 1.560 177.526 176.117 -0.252 0.000 1.167 297 I CA 0.745 61.832 61.300 -0.355 0.000 1.386 297 I CB 0.653 38.316 38.000 -0.563 0.000 1.490 297 I HN 0.414 nan 8.210 nan 0.000 0.452 298 G N 1.554 110.207 108.800 -0.246 0.000 2.545 298 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.216 298 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.216 298 G C -0.024 174.649 174.900 -0.377 0.000 1.314 298 G CA -0.156 44.744 45.100 -0.332 0.000 0.906 298 G HN 0.422 nan 8.290 nan 0.000 0.563 299 T N -1.725 112.602 114.554 -0.378 0.000 2.937 299 T HA 0.726 5.073 4.350 -0.005 0.000 0.283 299 T C -1.462 173.127 174.700 -0.185 0.000 1.012 299 T CA -0.720 61.228 62.100 -0.253 0.000 0.997 299 T CB 2.202 70.876 68.868 -0.324 0.000 1.136 299 T HN 0.339 nan 8.240 nan 0.000 0.551 300 P HA -0.013 nan 4.420 nan 0.000 0.216 300 P C -1.573 175.182 177.300 -0.909 0.000 1.153 300 P CA 1.299 63.994 63.100 -0.676 0.000 0.858 300 P CB -1.206 30.072 31.700 -0.705 0.000 0.789 301 P HA -0.174 nan 4.420 nan 0.000 0.217 301 P C 1.555 178.677 177.300 -0.295 0.000 1.148 301 P CA 1.488 64.324 63.100 -0.439 0.000 0.828 301 P CB -0.302 31.155 31.700 -0.405 0.000 0.783 302 R N -1.453 118.890 120.500 -0.262 0.000 2.066 302 R HA -0.155 4.182 4.340 -0.005 0.000 0.232 302 R C 2.121 178.319 176.300 -0.170 0.000 1.131 302 R CA 1.358 57.379 56.100 -0.132 0.000 0.955 302 R CB -0.991 29.294 30.300 -0.025 0.000 0.851 302 R HN 0.036 nan 8.270 nan 0.000 0.432 303 F N 0.643 120.168 119.950 -0.708 0.000 2.134 303 F HA -0.182 4.342 4.527 -0.005 0.000 0.299 303 F C 1.478 177.038 175.800 -0.398 0.000 1.097 303 F CA 1.148 58.634 58.000 -0.857 0.000 1.264 303 F CB -0.615 37.409 39.000 -1.626 0.000 1.001 303 F HN 0.037 nan 8.300 nan 0.000 0.479 304 Y N 0.309 120.453 120.300 -0.260 0.000 2.224 304 Y HA -0.204 4.343 4.550 -0.005 0.000 0.289 304 Y C 2.505 178.280 175.900 -0.209 0.000 1.146 304 Y CA 1.262 59.200 58.100 -0.269 0.000 1.182 304 Y CB -1.581 36.684 38.460 -0.324 0.000 0.983 304 Y HN 0.192 nan 8.280 nan 0.000 0.524 305 N N -0.075 118.623 118.700 -0.004 0.000 2.216 305 N HA -0.159 4.577 4.740 -0.005 0.000 0.183 305 N C 1.704 177.278 175.510 0.107 0.000 1.017 305 N CA 0.959 54.062 53.050 0.088 0.000 0.861 305 N CB -0.153 38.399 38.487 0.108 0.000 0.986 305 N HN 0.543 nan 8.380 nan 0.000 0.428 306 Q N 0.764 120.582 119.800 0.030 0.000 2.096 306 Q HA -0.085 4.252 4.340 -0.005 0.000 0.204 306 Q C 2.151 178.169 176.000 0.030 0.000 0.982 306 Q CA 1.036 56.875 55.803 0.060 0.000 0.850 306 Q CB -0.028 28.768 28.738 0.096 0.000 0.901 306 Q HN 0.429 nan 8.270 nan 0.000 0.422 307 I N -0.110 120.400 120.570 -0.100 0.000 2.202 307 I HA -0.235 3.932 4.170 -0.005 0.000 0.242 307 I C 2.223 178.374 176.117 0.056 0.000 1.091 307 I CA 0.796 62.060 61.300 -0.060 0.000 1.368 307 I CB -0.294 37.636 38.000 -0.117 0.000 1.058 307 I HN 0.027 nan 8.210 nan 0.000 0.410 308 V N 1.004 120.946 119.914 0.047 0.000 2.469 308 V HA -0.273 3.844 4.120 -0.005 0.000 0.251 308 V C 2.559 178.669 176.094 0.026 0.000 1.064 308 V CA 1.774 64.060 62.300 -0.024 0.000 1.066 308 V CB -0.832 30.853 31.823 -0.231 0.000 0.667 308 V HN 0.377 nan 8.190 nan 0.000 0.461 309 R N -0.214 120.402 120.500 0.192 0.000 2.083 309 R HA -0.198 4.139 4.340 -0.005 0.000 0.237 309 R C 2.532 178.887 176.300 0.092 0.000 1.137 309 R CA 1.942 58.183 56.100 0.234 0.000 0.951 309 R CB -0.425 30.042 30.300 0.279 0.000 0.851 309 R HN 0.450 nan 8.270 nan 0.000 0.434 310 R N 1.084 121.699 120.500 0.191 0.000 2.081 310 R HA -0.102 4.235 4.340 -0.005 0.000 0.235 310 R C 2.151 178.487 176.300 0.059 0.000 1.131 310 R CA 1.434 57.652 56.100 0.197 0.000 0.960 310 R CB -0.246 30.172 30.300 0.196 0.000 0.856 310 R HN 0.172 nan 8.270 nan 0.000 0.436 311 I N 0.927 121.538 120.570 0.068 0.000 2.163 311 I HA -0.274 3.893 4.170 -0.005 0.000 0.243 311 I C 2.621 178.795 176.117 0.095 0.000 1.085 311 I CA 1.365 62.722 61.300 0.094 0.000 1.347 311 I CB -0.541 37.509 38.000 0.083 0.000 1.044 311 I HN 0.348 nan 8.210 nan 0.000 0.408 312 A N 0.500 123.353 122.820 0.054 0.000 1.892 312 A HA -0.184 4.133 4.320 -0.005 0.000 0.218 312 A C 2.407 180.031 177.584 0.067 0.000 1.188 312 A CA 2.181 54.278 52.037 0.100 0.000 0.631 312 A CB -1.030 17.860 19.000 -0.184 0.000 0.822 312 A HN 0.272 nan 8.150 nan 0.000 0.447 313 V N -0.588 119.205 119.914 -0.202 0.000 2.453 313 V HA -0.163 3.954 4.120 -0.005 0.000 0.247 313 V C 2.652 178.698 176.094 -0.081 0.000 1.048 313 V CA 2.244 64.421 62.300 -0.205 0.000 1.049 313 V CB -1.123 30.298 31.823 -0.670 0.000 0.672 313 V HN 0.601 nan 8.190 nan 0.000 0.457 314 T N -0.706 113.757 114.554 -0.152 0.000 2.867 314 T HA -0.143 4.204 4.350 -0.005 0.000 0.268 314 T C 1.185 175.584 174.700 -0.502 0.000 1.057 314 T CA 1.534 63.422 62.100 -0.353 0.000 1.136 314 T CB -0.276 68.262 68.868 -0.551 0.000 0.874 314 T HN 0.547 nan 8.240 nan 0.000 0.466 315 Y N 1.850 122.196 120.300 0.076 0.000 2.681 315 Y HA 0.308 4.855 4.550 -0.005 0.000 0.267 315 Y C 0.769 176.825 175.900 0.259 0.000 1.166 315 Y CA -1.270 56.904 58.100 0.124 0.000 1.209 315 Y CB -0.283 38.165 38.460 -0.019 0.000 1.161 315 Y HN 0.169 nan 8.280 nan 0.000 0.534 316 K N 0.097 120.697 120.400 0.333 0.000 2.380 316 K HA 0.099 4.416 4.320 -0.005 0.000 0.267 316 K C 0.316 177.048 176.600 0.221 0.000 0.990 316 K CA -0.203 56.285 56.287 0.334 0.000 0.946 316 K CB 0.958 33.657 32.500 0.332 0.000 0.937 316 K HN 0.173 nan 8.250 nan 0.000 0.491 317 K N 0.814 121.312 120.400 0.163 0.000 2.167 317 K HA -0.030 4.287 4.320 -0.005 0.000 0.203 317 K C 0.028 176.678 176.600 0.083 0.000 1.052 317 K CA 1.087 57.445 56.287 0.119 0.000 0.956 317 K CB 0.144 32.698 32.500 0.090 0.000 0.735 317 K HN 0.614 nan 8.250 nan 0.000 0.451 318 E N 0.099 120.335 120.200 0.061 0.000 2.256 318 E HA 0.113 4.460 4.350 -0.005 0.000 0.267 318 E C 0.035 176.671 176.600 0.060 0.000 0.892 318 E CA -0.488 55.942 56.400 0.050 0.000 0.775 318 E CB 1.839 31.556 29.700 0.028 0.000 1.207 318 E HN -0.037 nan 8.360 nan 0.000 0.420 319 E N 0.794 121.029 120.200 0.058 0.000 2.106 319 E HA -0.124 4.223 4.350 -0.005 0.000 0.192 319 E C 0.101 176.739 176.600 0.064 0.000 0.984 319 E CA 0.974 57.411 56.400 0.062 0.000 0.806 319 E CB -0.033 29.700 29.700 0.054 0.000 0.750 319 E HN 0.439 nan 8.360 nan 0.000 0.458 320 D N 0.409 120.842 120.400 0.055 0.000 2.346 320 D HA 0.005 4.642 4.640 -0.005 0.000 0.260 320 D C 1.004 177.342 176.300 0.063 0.000 1.252 320 D CA 0.112 54.146 54.000 0.056 0.000 0.895 320 D CB 0.479 41.308 40.800 0.049 0.000 1.097 320 D HN -0.029 nan 8.370 nan 0.000 0.489 321 L N 3.289 124.563 121.223 0.085 0.000 2.209 321 L HA 0.021 4.358 4.340 -0.005 0.000 0.207 321 L C 2.230 179.160 176.870 0.100 0.000 1.094 321 L CA 0.746 55.655 54.840 0.115 0.000 0.790 321 L CB -0.115 42.022 42.059 0.130 0.000 0.932 321 L HN 0.488 nan 8.230 nan 0.000 0.447 322 A N 0.167 123.040 122.820 0.089 0.000 1.874 322 A HA -0.042 4.275 4.320 -0.005 0.000 0.214 322 A C 0.944 178.595 177.584 0.113 0.000 1.189 322 A CA 0.990 53.086 52.037 0.098 0.000 0.615 322 A CB -0.125 18.924 19.000 0.082 0.000 0.830 322 A HN 0.467 nan 8.150 nan 0.000 0.443 323 N N 0.176 118.930 118.700 0.090 0.000 2.886 323 N HA 0.234 4.971 4.740 -0.005 0.000 0.285 323 N C -1.069 174.485 175.510 0.072 0.000 1.706 323 N CA 0.165 53.274 53.050 0.098 0.000 0.904 323 N CB 1.138 39.677 38.487 0.086 0.000 1.224 323 N HN 0.159 nan 8.380 nan 0.000 0.488 324 S N 0.776 116.506 115.700 0.051 0.000 2.746 324 S HA 0.169 4.636 4.470 -0.005 0.000 0.273 324 S C 0.763 175.366 174.600 0.004 0.000 1.172 324 S CA -0.484 57.728 58.200 0.020 0.000 1.116 324 S CB 0.899 64.091 63.200 -0.012 0.000 1.057 324 S HN 0.100 nan 8.310 nan 0.000 0.483 325 E N 2.979 123.218 120.200 0.064 0.000 2.204 325 E HA -0.078 4.269 4.350 -0.005 0.000 0.195 325 E C 2.001 178.643 176.600 0.070 0.000 0.990 325 E CA 0.885 57.356 56.400 0.119 0.000 0.821 325 E CB -0.198 29.598 29.700 0.160 0.000 0.750 325 E HN 0.575 nan 8.360 nan 0.000 0.477 326 V N 2.204 122.132 119.914 0.024 0.000 2.295 326 V HA -0.247 3.870 4.120 -0.005 0.000 0.246 326 V C 1.944 177.969 176.094 -0.115 0.000 1.049 326 V CA 1.743 64.046 62.300 0.006 0.000 1.024 326 V CB -0.476 31.353 31.823 0.010 0.000 0.648 326 V HN 0.203 nan 8.190 nan 0.000 0.447 327 N N 0.621 119.176 118.700 -0.241 0.000 2.142 327 N HA -0.118 4.619 4.740 -0.005 0.000 0.186 327 N C 1.680 176.705 175.510 -0.809 0.000 1.023 327 N CA 1.302 53.965 53.050 -0.646 0.000 0.852 327 N CB -0.614 37.535 38.487 -0.563 0.000 0.998 327 N HN 0.443 nan 8.380 nan 0.000 0.424 328 N N 1.198 119.629 118.700 -0.449 0.000 2.069 328 N HA -0.102 4.635 4.740 -0.005 0.000 0.191 328 N C 1.636 176.804 175.510 -0.571 0.000 1.031 328 N CA 1.406 54.157 53.050 -0.499 0.000 0.852 328 N CB -0.562 37.684 38.487 -0.401 0.000 1.018 328 N HN 0.250 nan 8.380 nan 0.000 0.423 329 A N 0.762 123.397 122.820 -0.308 0.000 1.873 329 A HA -0.172 4.145 4.320 -0.005 0.000 0.215 329 A C 2.060 179.776 177.584 0.220 0.000 1.186 329 A CA 1.870 53.913 52.037 0.011 0.000 0.616 329 A CB -0.809 18.456 19.000 0.442 0.000 0.823 329 A HN 0.292 nan 8.150 nan 0.000 0.442 330 D N -0.960 119.493 120.400 0.089 0.000 2.092 330 D HA -0.169 4.468 4.640 -0.005 0.000 0.193 330 D C 1.620 178.105 176.300 0.309 0.000 0.994 330 D CA 1.547 55.664 54.000 0.195 0.000 0.828 330 D CB -0.285 40.535 40.800 0.033 0.000 0.963 330 D HN 0.317 nan 8.370 nan 0.000 0.450 331 F N 0.912 120.949 119.950 0.145 0.000 2.146 331 F HA 0.121 4.645 4.527 -0.005 0.000 0.298 331 F C 2.584 178.532 175.800 0.247 0.000 1.096 331 F CA 0.728 58.855 58.000 0.211 0.000 1.275 331 F CB -1.457 37.634 39.000 0.151 0.000 1.008 331 F HN 0.020 nan 8.300 nan 0.000 0.480 332 A N 0.003 122.973 122.820 0.249 0.000 1.908 332 A HA -0.225 4.091 4.320 -0.005 0.000 0.218 332 A C 2.324 180.164 177.584 0.428 0.000 1.181 332 A CA 2.002 54.164 52.037 0.207 0.000 0.627 332 A CB -0.641 18.213 19.000 -0.243 0.000 0.818 332 A HN 0.237 nan 8.150 nan 0.000 0.445 333 R N -0.458 120.323 120.500 0.467 0.000 2.062 333 R HA -0.028 4.309 4.340 -0.005 0.000 0.229 333 R C 1.932 178.249 176.300 0.027 0.000 1.128 333 R CA 1.591 57.921 56.100 0.384 0.000 0.960 333 R CB -1.027 29.457 30.300 0.308 0.000 0.855 333 R HN 0.415 nan 8.270 nan 0.000 0.432 334 L N -0.128 120.988 121.223 -0.179 0.000 1.989 334 L HA -0.082 4.254 4.340 -0.005 0.000 0.211 334 L C 1.930 178.543 176.870 -0.428 0.000 1.071 334 L CA 1.908 56.378 54.840 -0.616 0.000 0.749 334 L CB -0.782 40.920 42.059 -0.594 0.000 0.890 334 L HN 0.213 nan 8.230 nan 0.000 0.431 335 F N -0.255 119.583 119.950 -0.185 0.000 2.216 335 F HA -0.132 4.392 4.527 -0.006 0.000 0.300 335 F C 2.438 178.082 175.800 -0.260 0.000 1.085 335 F CA 1.196 58.998 58.000 -0.330 0.000 1.326 335 F CB -0.977 37.655 39.000 -0.613 0.000 1.027 335 F HN 0.230 nan 8.300 nan 0.000 0.497 336 A N 0.194 123.061 122.820 0.079 0.000 1.873 336 A HA -0.111 4.206 4.320 -0.005 0.000 0.215 336 A C 2.237 179.774 177.584 -0.077 0.000 1.186 336 A CA 1.282 53.341 52.037 0.037 0.000 0.616 336 A CB -1.029 17.992 19.000 0.034 0.000 0.823 336 A HN 0.345 nan 8.150 nan 0.000 0.442 337 L N -0.566 120.590 121.223 -0.111 0.000 1.989 337 L HA -0.196 4.141 4.340 -0.005 0.000 0.211 337 L C 2.605 179.412 176.870 -0.106 0.000 1.071 337 L CA 1.441 56.221 54.840 -0.100 0.000 0.749 337 L CB -0.619 41.379 42.059 -0.102 0.000 0.890 337 L HN 0.260 nan 8.230 nan 0.000 0.431 338 V N -0.310 119.491 119.914 -0.188 0.000 2.261 338 V HA -0.307 3.810 4.120 -0.005 0.000 0.246 338 V C 2.031 178.031 176.094 -0.157 0.000 1.047 338 V CA 2.021 64.192 62.300 -0.214 0.000 1.015 338 V CB -0.496 31.122 31.823 -0.342 0.000 0.642 338 V HN 0.451 nan 8.190 nan 0.000 0.446 339 D N -0.461 119.869 120.400 -0.117 0.000 2.269 339 D HA -0.074 4.563 4.640 -0.005 0.000 0.208 339 D C 2.060 178.324 176.300 -0.059 0.000 0.963 339 D CA 0.835 54.796 54.000 -0.064 0.000 0.864 339 D CB 0.087 40.894 40.800 0.012 0.000 0.936 339 D HN 0.321 nan 8.370 nan 0.000 0.505 340 V N 1.152 121.041 119.914 -0.040 0.000 2.407 340 V HA -0.130 3.987 4.120 -0.005 0.000 0.245 340 V C 2.510 178.583 176.094 -0.035 0.000 1.041 340 V CA 1.503 63.799 62.300 -0.008 0.000 1.040 340 V CB -0.511 31.333 31.823 0.035 0.000 0.671 340 V HN 0.145 nan 8.190 nan 0.000 0.455 341 A N -1.137 121.663 122.820 -0.033 0.000 1.902 341 A HA -0.294 4.023 4.320 -0.005 0.000 0.217 341 A C 2.399 179.960 177.584 -0.038 0.000 1.181 341 A CA 2.146 54.165 52.037 -0.030 0.000 0.623 341 A CB -1.191 17.778 19.000 -0.051 0.000 0.818 341 A HN 0.583 nan 8.150 nan 0.000 0.443 342 C N -1.103 118.161 119.300 -0.060 0.000 2.429 342 C HA -0.082 4.375 4.460 -0.005 0.000 0.277 342 C C 3.017 178.037 174.990 0.049 0.000 1.262 342 C CA 1.930 60.949 59.018 0.002 0.000 1.733 342 C CB -1.467 26.214 27.740 -0.099 0.000 2.010 342 C HN 0.631 nan 8.230 nan 0.000 0.483 343 T N 0.490 114.976 114.554 -0.114 0.000 2.652 343 T HA -0.163 4.184 4.350 -0.005 0.000 0.267 343 T C 1.353 175.940 174.700 -0.188 0.000 1.039 343 T CA 2.046 63.989 62.100 -0.261 0.000 1.153 343 T CB -0.471 67.952 68.868 -0.741 0.000 0.863 343 T HN 0.548 nan 8.240 nan 0.000 0.428 344 D N 1.063 121.376 120.400 -0.144 0.000 2.178 344 D HA 0.018 4.654 4.640 -0.005 0.000 0.201 344 D C 2.285 178.639 176.300 0.090 0.000 0.980 344 D CA 1.026 55.021 54.000 -0.008 0.000 0.842 344 D CB -0.388 40.484 40.800 0.120 0.000 0.948 344 D HN 0.401 nan 8.370 nan 0.000 0.472 345 A N 0.701 123.559 122.820 0.063 0.000 1.902 345 A HA -0.024 4.293 4.320 -0.005 0.000 0.217 345 A C 2.377 179.942 177.584 -0.031 0.000 1.181 345 A CA 1.976 54.028 52.037 0.026 0.000 0.623 345 A CB -0.976 18.032 19.000 0.012 0.000 0.818 345 A HN 0.302 nan 8.150 nan 0.000 0.443 346 G N -0.014 108.819 108.800 0.056 0.000 2.402 346 G HA2 -0.162 3.795 3.960 -0.005 0.000 0.216 346 G HA3 -0.162 3.795 3.960 -0.005 0.000 0.216 346 G C 1.526 176.509 174.900 0.138 0.000 1.162 346 G CA 1.065 46.192 45.100 0.045 0.000 0.777 346 G HN 0.473 nan 8.290 nan 0.000 0.539 347 I N -0.281 120.317 120.570 0.048 0.000 2.142 347 I HA -0.141 4.026 4.170 -0.005 0.000 0.240 347 I C 2.428 178.435 176.117 -0.183 0.000 1.078 347 I CA 1.116 62.337 61.300 -0.130 0.000 1.343 347 I CB -0.276 37.451 38.000 -0.456 0.000 1.046 347 I HN 0.075 nan 8.210 nan 0.000 0.405 348 F N 1.023 120.982 119.950 0.015 0.000 2.259 348 F HA -0.163 4.360 4.527 -0.006 0.000 0.298 348 F C 2.906 178.705 175.800 -0.002 0.000 1.088 348 F CA 1.352 59.342 58.000 -0.017 0.000 1.358 348 F CB -0.822 38.134 39.000 -0.074 0.000 1.040 348 F HN 0.116 nan 8.300 nan 0.000 0.505 349 S N -0.760 115.029 115.700 0.147 0.000 2.368 349 S HA -0.221 4.246 4.470 -0.005 0.000 0.224 349 S C 2.054 176.686 174.600 0.052 0.000 1.029 349 S CA 0.740 58.960 58.200 0.034 0.000 0.988 349 S CB -1.144 62.013 63.200 -0.072 0.000 0.838 349 S HN 0.493 nan 8.310 nan 0.000 0.462 350 W N 2.343 123.633 121.300 -0.017 0.000 2.388 350 W HA 0.013 4.670 4.660 -0.005 0.000 0.294 350 W C 2.585 179.211 176.519 0.177 0.000 1.212 350 W CA 1.362 58.768 57.345 0.102 0.000 1.271 350 W CB -0.211 29.360 29.460 0.185 0.000 1.126 350 W HN 0.419 nan 8.180 nan 0.000 0.535 351 K N 0.676 121.218 120.400 0.236 0.000 2.032 351 K HA -0.212 4.105 4.320 -0.005 0.000 0.209 351 K C 1.685 178.349 176.600 0.107 0.000 1.048 351 K CA 1.562 57.932 56.287 0.139 0.000 0.927 351 K CB -0.145 32.380 32.500 0.042 0.000 0.712 351 K HN -0.080 nan 8.250 nan 0.000 0.441 352 E N 0.843 121.101 120.200 0.096 0.000 2.150 352 E HA -0.137 4.210 4.350 -0.005 0.000 0.193 352 E C 1.934 178.622 176.600 0.148 0.000 0.985 352 E CA 0.930 57.400 56.400 0.116 0.000 0.814 352 E CB 0.020 29.843 29.700 0.204 0.000 0.752 352 E HN 0.333 nan 8.360 nan 0.000 0.466 353 K N -0.165 120.218 120.400 -0.028 0.000 2.009 353 K HA -0.169 4.148 4.320 -0.005 0.000 0.210 353 K C 1.953 178.388 176.600 -0.275 0.000 1.049 353 K CA 1.630 57.774 56.287 -0.238 0.000 0.929 353 K CB -0.263 31.806 32.500 -0.717 0.000 0.714 353 K HN 0.177 nan 8.250 nan 0.000 0.440 354 W N 0.980 122.205 121.300 -0.124 0.000 2.800 354 W HA -0.045 4.612 4.660 -0.005 0.000 0.249 354 W C 2.086 178.580 176.519 -0.041 0.000 1.294 354 W CA 0.191 57.467 57.345 -0.114 0.000 1.402 354 W CB 0.083 29.433 29.460 -0.183 0.000 1.126 354 W HN 0.232 nan 8.180 nan 0.000 0.652 355 E N 0.421 120.669 120.200 0.080 0.000 2.028 355 E HA -0.152 4.195 4.350 -0.005 0.000 0.190 355 E C 1.561 178.076 176.600 -0.142 0.000 0.984 355 E CA 1.604 57.934 56.400 -0.116 0.000 0.800 355 E CB -0.739 28.729 29.700 -0.387 0.000 0.758 355 E HN 0.219 nan 8.360 nan 0.000 0.448 356 F N 0.808 120.841 119.950 0.138 0.000 2.335 356 F HA 0.245 4.768 4.527 -0.005 0.000 0.296 356 F C 0.716 176.618 175.800 0.171 0.000 1.091 356 F CA 1.052 59.138 58.000 0.144 0.000 1.399 356 F CB -0.208 38.892 39.000 0.166 0.000 1.067 356 F HN -0.007 nan 8.300 nan 0.000 0.520 357 E N -0.295 120.087 120.200 0.303 0.000 2.360 357 E HA -0.279 4.068 4.350 -0.005 0.000 0.238 357 E C -0.279 176.525 176.600 0.339 0.000 1.186 357 E CA -0.134 56.400 56.400 0.222 0.000 0.719 357 E CB -1.732 28.146 29.700 0.298 0.000 1.236 357 E HN 0.256 nan 8.360 nan 0.000 0.386 358 F N 1.498 121.589 119.950 0.235 0.000 2.484 358 F HA 0.205 4.729 4.527 -0.005 0.000 0.360 358 F C 0.833 176.937 175.800 0.506 0.000 1.101 358 F CA -0.527 57.648 58.000 0.292 0.000 1.251 358 F CB 0.426 39.594 39.000 0.279 0.000 1.132 358 F HN 0.107 nan 8.300 nan 0.000 0.570 359 W N 6.345 127.660 121.300 0.025 0.000 2.126 359 W HA 0.428 5.085 4.660 -0.005 0.000 0.346 359 W C -0.519 176.275 176.519 0.458 0.000 1.279 359 W CA -1.642 55.838 57.345 0.226 0.000 1.259 359 W CB -0.200 29.318 29.460 0.097 0.000 1.133 359 W HN 0.395 nan 8.180 nan 0.000 0.592 360 R N 2.184 122.959 120.500 0.458 0.000 2.615 360 R HA 0.132 4.469 4.340 -0.005 0.000 0.270 360 R C -1.378 174.795 176.300 -0.211 0.000 1.081 360 R CA -1.738 54.431 56.100 0.114 0.000 1.154 360 R CB -0.231 30.044 30.300 -0.042 0.000 1.063 360 R HN 0.204 nan 8.270 nan 0.000 0.519 361 P HA -0.176 nan 4.420 nan 0.000 0.216 361 P C 1.372 178.455 177.300 -0.362 0.000 1.150 361 P CA 0.848 63.308 63.100 -1.068 0.000 0.843 361 P CB 0.149 31.226 31.700 -1.037 0.000 0.787 362 L N -0.576 120.573 121.223 -0.124 0.000 1.989 362 L HA -0.183 4.154 4.340 -0.005 0.000 0.211 362 L C 2.130 178.935 176.870 -0.107 0.000 1.071 362 L CA 2.153 57.009 54.840 0.027 0.000 0.749 362 L CB -1.385 40.618 42.059 -0.094 0.000 0.890 362 L HN -0.123 nan 8.230 nan 0.000 0.431 363 S N -0.373 115.179 115.700 -0.246 0.000 2.371 363 S HA -0.035 4.432 4.470 -0.005 0.000 0.224 363 S C 1.888 175.993 174.600 -0.826 0.000 1.029 363 S CA 0.860 58.837 58.200 -0.372 0.000 0.978 363 S CB -0.894 62.170 63.200 -0.228 0.000 0.833 363 S HN 0.698 nan 8.310 nan 0.000 0.466 364 G N 1.532 109.638 108.800 -1.156 0.000 2.446 364 G HA2 -0.173 3.783 3.960 -0.005 0.000 0.217 364 G HA3 -0.173 3.783 3.960 -0.005 0.000 0.217 364 G C 1.453 176.074 174.900 -0.464 0.000 1.168 364 G CA 1.108 45.417 45.100 -1.318 0.000 0.771 364 G HN 0.416 nan 8.290 nan 0.000 0.551 365 V N 0.503 120.230 119.914 -0.312 0.000 2.358 365 V HA -0.136 3.981 4.120 -0.005 0.000 0.246 365 V C 2.934 178.921 176.094 -0.178 0.000 1.047 365 V CA 1.956 64.104 62.300 -0.254 0.000 1.035 365 V CB -0.455 31.076 31.823 -0.487 0.000 0.658 365 V HN 0.297 nan 8.190 nan 0.000 0.452 366 R N 0.069 120.473 120.500 -0.161 0.000 2.066 366 R HA -0.112 4.225 4.340 -0.005 0.000 0.232 366 R C 1.630 177.833 176.300 -0.161 0.000 1.131 366 R CA 1.577 57.590 56.100 -0.145 0.000 0.955 366 R CB -0.296 29.929 30.300 -0.126 0.000 0.851 366 R HN 0.485 nan 8.270 nan 0.000 0.432 367 D N 0.027 120.309 120.400 -0.197 0.000 2.328 367 D HA -0.051 4.586 4.640 -0.005 0.000 0.226 367 D C 0.833 177.135 176.300 0.003 0.000 1.066 367 D CA 0.392 54.338 54.000 -0.091 0.000 0.861 367 D CB 0.019 40.806 40.800 -0.022 0.000 0.912 367 D HN 0.196 nan 8.370 nan 0.000 0.521 368 D N 0.538 120.922 120.400 -0.027 0.000 2.133 368 D HA -0.200 4.437 4.640 -0.005 0.000 0.192 368 D C 1.818 178.163 176.300 0.075 0.000 1.001 368 D CA 2.773 56.823 54.000 0.084 0.000 0.844 368 D CB 0.094 40.941 40.800 0.078 0.000 0.944 368 D HN 0.254 nan 8.370 nan 0.000 0.447 369 G N -0.732 108.090 108.800 0.037 0.000 2.268 369 G HA2 -0.321 3.636 3.960 -0.005 0.000 0.240 369 G HA3 -0.321 3.636 3.960 -0.005 0.000 0.240 369 G C 0.290 175.218 174.900 0.046 0.000 1.010 369 G CA 0.213 45.331 45.100 0.031 0.000 0.618 369 G HN 0.463 nan 8.290 nan 0.000 0.516 370 R N 1.250 121.797 120.500 0.078 0.000 2.202 370 R HA 0.418 4.755 4.340 -0.005 0.000 0.334 370 R C -1.522 174.844 176.300 0.110 0.000 1.036 370 R CA -1.592 54.578 56.100 0.117 0.000 0.878 370 R CB 1.248 31.669 30.300 0.200 0.000 1.067 370 R HN 0.090 nan 8.270 nan 0.000 0.457 371 P HA -0.230 nan 4.420 nan 0.000 0.217 371 P C 0.320 177.638 177.300 0.030 0.000 1.148 371 P CA 1.363 64.493 63.100 0.049 0.000 0.834 371 P CB 0.198 31.923 31.700 0.042 0.000 0.783 372 D N -3.601 116.811 120.400 0.020 0.000 2.340 372 D HA -0.043 4.594 4.640 -0.005 0.000 0.217 372 D C 1.178 177.332 176.300 -0.242 0.000 1.081 372 D CA 0.467 54.410 54.000 -0.094 0.000 0.842 372 D CB -0.496 40.227 40.800 -0.127 0.000 0.934 372 D HN 0.308 nan 8.370 nan 0.000 0.511 373 H N -0.250 118.825 119.070 0.008 0.000 2.573 373 H HA 0.263 4.816 4.556 -0.005 0.000 0.236 373 H C 1.245 176.552 175.328 -0.034 0.000 0.907 373 H CA 0.522 56.571 56.048 0.001 0.000 1.058 373 H CB 0.859 30.643 29.762 0.036 0.000 1.417 373 H HN 0.156 nan 8.280 nan 0.000 0.425 374 G N 0.241 109.097 108.800 0.094 0.000 2.537 374 G HA2 0.283 4.240 3.960 -0.005 0.000 0.297 374 G HA3 0.283 4.240 3.960 -0.005 0.000 0.297 374 G C -0.952 173.926 174.900 -0.038 0.000 1.310 374 G CA -0.115 44.982 45.100 -0.005 0.000 1.027 374 G HN 0.159 nan 8.290 nan 0.000 0.505 375 D N -0.860 119.500 120.400 -0.067 0.000 2.328 375 D HA 0.302 4.939 4.640 -0.005 0.000 0.243 375 D C -2.078 174.188 176.300 -0.056 0.000 1.324 375 D CA -1.539 52.457 54.000 -0.006 0.000 0.966 375 D CB 1.856 42.673 40.800 0.027 0.000 1.324 375 D HN -0.053 nan 8.370 nan 0.000 0.549 376 P HA 0.012 nan 4.420 nan 0.000 0.226 376 P C 0.336 177.159 177.300 -0.794 0.000 1.146 376 P CA 0.865 63.615 63.100 -0.583 0.000 0.773 376 P CB -0.049 31.129 31.700 -0.870 0.000 0.772 377 F N -4.970 115.026 119.950 0.077 0.000 2.735 377 F HA 0.300 4.824 4.527 -0.005 0.000 0.308 377 F C 0.722 176.587 175.800 0.109 0.000 1.112 377 F CA -1.201 56.838 58.000 0.065 0.000 1.235 377 F CB -0.641 38.384 39.000 0.041 0.000 1.027 377 F HN -0.148 nan 8.300 nan 0.000 0.528 378 W N 2.881 124.192 121.300 0.018 0.000 2.170 378 W HA 0.492 5.149 4.660 -0.005 0.000 0.342 378 W C -0.962 175.537 176.519 -0.032 0.000 1.294 378 W CA -0.405 56.934 57.345 -0.009 0.000 1.246 378 W CB 0.459 29.884 29.460 -0.059 0.000 1.156 378 W HN -0.145 nan 8.180 nan 0.000 0.572 379 L N 5.125 125.909 121.223 -0.732 0.000 2.422 379 L HA 0.410 4.746 4.340 -0.005 0.000 0.264 379 L C 0.449 176.578 176.870 -1.235 0.000 0.984 379 L CA -1.041 53.357 54.840 -0.738 0.000 0.819 379 L CB 2.158 43.998 42.059 -0.364 0.000 1.330 379 L HN 0.499 nan 8.230 nan 0.000 0.410 380 T N -1.438 112.529 114.554 -0.977 0.000 2.881 380 T HA 0.304 4.651 4.350 -0.005 0.000 0.278 380 T C 0.692 175.142 174.700 -0.416 0.000 0.982 380 T CA -0.703 60.906 62.100 -0.820 0.000 0.989 380 T CB 1.624 70.135 68.868 -0.596 0.000 1.058 380 T HN 0.453 nan 8.240 nan 0.000 0.529 381 L N 1.473 122.535 121.223 -0.268 0.000 2.072 381 L HA 0.357 4.694 4.340 -0.005 0.000 0.205 381 L C 1.247 178.027 176.870 -0.150 0.000 1.079 381 L CA 2.431 57.176 54.840 -0.158 0.000 0.752 381 L CB -1.535 40.473 42.059 -0.084 0.000 0.906 381 L HN 1.428 nan 8.230 nan 0.000 0.436 382 G N -1.324 107.380 108.800 -0.160 0.000 2.814 382 G HA2 0.014 3.971 3.960 -0.005 0.000 0.677 382 G HA3 0.014 3.971 3.960 -0.005 0.000 0.677 382 G C -0.116 174.720 174.900 -0.107 0.000 1.429 382 G CA -0.373 44.639 45.100 -0.146 0.000 0.868 382 G HN 1.003 nan 8.290 nan 0.000 0.553 383 A N 2.028 124.784 122.820 -0.107 0.000 2.451 383 A HA 0.649 4.966 4.320 -0.005 0.000 0.266 383 A C -0.732 176.804 177.584 -0.079 0.000 1.119 383 A CA -0.150 51.839 52.037 -0.081 0.000 0.786 383 A CB -0.098 18.857 19.000 -0.075 0.000 1.061 383 A HN 0.958 nan 8.150 nan 0.000 0.503 384 P HA 0.159 nan 4.420 nan 0.000 0.264 384 P C -0.212 177.032 177.300 -0.093 0.000 1.193 384 P CA 0.213 63.263 63.100 -0.083 0.000 0.763 384 P CB 0.913 32.558 31.700 -0.092 0.000 0.810 385 A N 3.494 126.264 122.820 -0.083 0.000 3.126 385 A HA 0.295 4.612 4.320 -0.005 0.000 0.268 385 A C 0.618 178.145 177.584 -0.094 0.000 1.605 385 A CA -0.332 51.656 52.037 -0.081 0.000 1.305 385 A CB -0.936 18.032 19.000 -0.052 0.000 1.160 385 A HN 0.491 nan 8.150 nan 0.000 0.609 386 T N 1.825 116.301 114.554 -0.130 0.000 2.930 386 T HA 0.152 4.499 4.350 -0.005 0.000 0.306 386 T C 0.670 175.270 174.700 -0.166 0.000 1.045 386 T CA 0.111 62.118 62.100 -0.154 0.000 1.134 386 T CB 0.126 68.868 68.868 -0.210 0.000 0.961 386 T HN 0.672 nan 8.240 nan 0.000 0.545 387 N N 0.214 118.824 118.700 -0.149 0.000 2.725 387 N HA -0.149 4.587 4.740 -0.005 0.000 0.249 387 N C -0.204 175.233 175.510 -0.122 0.000 1.103 387 N CA 1.380 54.330 53.050 -0.166 0.000 0.707 387 N CB -1.261 37.042 38.487 -0.306 0.000 1.043 387 N HN 0.782 nan 8.380 nan 0.000 0.553 388 T N -0.797 113.725 114.554 -0.054 0.000 2.816 388 T HA 0.414 4.760 4.350 -0.005 0.000 0.299 388 T C 0.331 175.036 174.700 0.008 0.000 1.230 388 T CA -0.428 61.672 62.100 0.001 0.000 1.007 388 T CB 0.840 69.700 68.868 -0.014 0.000 1.289 388 T HN 0.207 nan 8.240 nan 0.000 0.508 389 N N 1.401 120.117 118.700 0.026 0.000 2.235 389 N HA 0.175 4.912 4.740 -0.005 0.000 0.209 389 N C -0.425 175.094 175.510 0.016 0.000 1.122 389 N CA -0.184 52.877 53.050 0.018 0.000 0.845 389 N CB 0.156 38.657 38.487 0.024 0.000 1.004 389 N HN 0.749 nan 8.380 nan 0.000 0.499 390 D N -0.558 119.854 120.400 0.020 0.000 2.825 390 D HA 0.275 4.912 4.640 -0.005 0.000 0.327 390 D C -0.765 175.556 176.300 0.036 0.000 1.277 390 D CA -0.663 53.356 54.000 0.031 0.000 0.950 390 D CB 0.429 41.259 40.800 0.050 0.000 1.438 390 D HN -0.181 nan 8.370 nan 0.000 0.526 391 I N 0.960 121.576 120.570 0.076 0.000 2.347 391 I HA 0.333 4.500 4.170 -0.005 0.000 0.283 391 I C -2.360 173.840 176.117 0.139 0.000 1.058 391 I CA -1.794 59.564 61.300 0.096 0.000 1.202 391 I CB -0.182 37.914 38.000 0.160 0.000 1.386 391 I HN 0.072 nan 8.210 nan 0.000 0.475 392 P HA 0.154 nan 4.420 nan 0.000 0.274 392 P C -0.429 176.713 177.300 -0.264 0.000 1.231 392 P CA -0.291 62.798 63.100 -0.018 0.000 0.790 392 P CB 0.569 32.269 31.700 -0.000 0.000 0.951 393 F N 3.050 122.810 119.950 -0.317 0.000 2.456 393 F HA 0.332 4.856 4.527 -0.005 0.000 0.358 393 F C 0.088 175.789 175.800 -0.165 0.000 1.095 393 F CA 0.151 57.921 58.000 -0.382 0.000 1.216 393 F CB 0.491 39.459 39.000 -0.053 0.000 1.125 393 F HN 0.116 nan 8.300 nan 0.000 0.549 394 K N 6.749 126.847 120.400 -0.503 0.000 2.422 394 K HA 0.388 4.705 4.320 -0.005 0.000 0.251 394 K C -2.678 173.660 176.600 -0.436 0.000 0.933 394 K CA -2.053 54.099 56.287 -0.225 0.000 0.798 394 K CB 1.918 34.324 32.500 -0.157 0.000 1.238 394 K HN 0.327 nan 8.250 nan 0.000 0.428 395 P HA -0.027 nan 4.420 nan 0.000 0.258 395 P C -2.400 175.013 177.300 0.188 0.000 1.187 395 P CA -0.514 62.695 63.100 0.181 0.000 0.767 395 P CB -0.083 31.878 31.700 0.435 0.000 0.770 396 P HA 0.328 nan 4.420 nan 0.000 0.276 396 P C -1.018 176.538 177.300 0.426 0.000 1.252 396 P CA -0.161 63.014 63.100 0.124 0.000 0.802 396 P CB 0.777 32.600 31.700 0.205 0.000 1.035 397 F N -3.470 116.515 119.950 0.057 0.000 2.654 397 F HA 0.643 5.167 4.527 -0.005 0.000 0.308 397 F C -3.070 172.171 175.800 -0.932 0.000 1.108 397 F CA -3.282 54.360 58.000 -0.596 0.000 0.957 397 F CB -0.015 38.842 39.000 -0.239 0.000 1.309 397 F HN 0.051 nan 8.300 nan 0.000 0.446 398 P HA 0.130 nan 4.420 nan 0.000 0.270 398 P C 0.082 177.290 177.300 -0.153 0.000 1.221 398 P CA 0.738 63.428 63.100 -0.684 0.000 0.788 398 P CB 0.795 32.039 31.700 -0.759 0.000 0.904 399 A N 1.388 124.329 122.820 0.202 0.000 1.903 399 A HA -0.079 4.238 4.320 -0.005 0.000 0.213 399 A C 0.593 178.462 177.584 0.474 0.000 1.185 399 A CA 1.195 53.478 52.037 0.410 0.000 0.628 399 A CB -1.011 18.383 19.000 0.657 0.000 0.830 399 A HN 0.596 nan 8.150 nan 0.000 0.446 400 Y N 2.283 122.759 120.300 0.293 0.000 2.341 400 Y HA 0.450 4.997 4.550 -0.005 0.000 0.340 400 Y C -2.512 173.425 175.900 0.062 0.000 0.997 400 Y CA -2.768 55.411 58.100 0.132 0.000 1.149 400 Y CB 1.334 39.785 38.460 -0.015 0.000 1.171 400 Y HN 0.161 nan 8.280 nan 0.000 0.494 401 P HA 0.131 nan 4.420 nan 0.000 0.284 401 P C -0.930 176.198 177.300 -0.286 0.000 1.287 401 P CA -0.679 62.123 63.100 -0.496 0.000 0.824 401 P CB 1.579 32.927 31.700 -0.587 0.000 1.180 402 S N -0.749 114.706 115.700 -0.408 0.000 2.510 402 S HA 0.249 4.716 4.470 -0.005 0.000 0.279 402 S C 1.801 176.236 174.600 -0.274 0.000 1.284 402 S CA 0.182 58.006 58.200 -0.627 0.000 1.059 402 S CB -0.701 61.969 63.200 -0.883 0.000 0.901 402 S HN 0.559 nan 8.310 nan 0.000 0.491 403 G N 3.415 112.188 108.800 -0.045 0.000 2.421 403 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.216 403 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.216 403 G C 1.136 176.028 174.900 -0.012 0.000 1.171 403 G CA 0.853 45.938 45.100 -0.025 0.000 0.775 403 G HN 0.874 nan 8.290 nan 0.000 0.543 404 H N 0.832 120.001 119.070 0.165 0.000 2.319 404 H HA 0.064 4.617 4.556 -0.005 0.000 0.299 404 H C 2.878 178.235 175.328 0.049 0.000 1.092 404 H CA 1.669 57.891 56.048 0.291 0.000 1.302 404 H CB -0.257 29.647 29.762 0.237 0.000 1.373 404 H HN 0.380 nan 8.280 nan 0.000 0.497 405 A N -0.276 122.537 122.820 -0.012 0.000 1.908 405 A HA -0.214 4.103 4.320 -0.005 0.000 0.218 405 A C 2.436 179.896 177.584 -0.206 0.000 1.181 405 A CA 2.264 54.199 52.037 -0.170 0.000 0.627 405 A CB -0.959 17.892 19.000 -0.248 0.000 0.818 405 A HN 0.489 nan 8.150 nan 0.000 0.445 406 T N -0.504 113.912 114.554 -0.230 0.000 2.777 406 T HA -0.076 4.271 4.350 -0.005 0.000 0.266 406 T C 1.561 176.139 174.700 -0.204 0.000 1.040 406 T CA 1.462 63.410 62.100 -0.254 0.000 1.141 406 T CB -0.419 68.272 68.868 -0.296 0.000 0.868 406 T HN 0.338 nan 8.240 nan 0.000 0.444 407 F N 1.877 121.739 119.950 -0.147 0.000 2.069 407 F HA 0.050 4.574 4.527 -0.006 0.000 0.298 407 F C 2.745 178.220 175.800 -0.542 0.000 1.113 407 F CA 0.839 58.690 58.000 -0.249 0.000 1.214 407 F CB -1.384 37.567 39.000 -0.081 0.000 0.978 407 F HN 0.233 nan 8.300 nan 0.000 0.474 408 G N -0.518 108.064 108.800 -0.362 0.000 2.421 408 G HA2 -0.170 3.787 3.960 -0.005 0.000 0.216 408 G HA3 -0.170 3.787 3.960 -0.005 0.000 0.216 408 G C 2.077 176.806 174.900 -0.286 0.000 1.171 408 G CA 0.902 45.711 45.100 -0.485 0.000 0.775 408 G HN 0.550 nan 8.290 nan 0.000 0.543 409 G N 1.140 109.794 108.800 -0.243 0.000 2.446 409 G HA2 0.005 3.962 3.960 -0.005 0.000 0.217 409 G HA3 0.005 3.962 3.960 -0.005 0.000 0.217 409 G C 2.062 176.854 174.900 -0.180 0.000 1.168 409 G CA 1.723 46.692 45.100 -0.219 0.000 0.771 409 G HN 0.669 nan 8.290 nan 0.000 0.551 410 A N 0.028 122.729 122.820 -0.198 0.000 1.858 410 A HA 0.083 4.400 4.320 -0.005 0.000 0.216 410 A C 2.634 180.085 177.584 -0.223 0.000 1.190 410 A CA 1.929 53.867 52.037 -0.166 0.000 0.617 410 A CB -0.828 18.099 19.000 -0.123 0.000 0.827 410 A HN 0.267 nan 8.150 nan 0.000 0.443 411 V N -1.010 118.665 119.914 -0.398 0.000 2.287 411 V HA -0.258 3.859 4.120 -0.005 0.000 0.248 411 V C 2.340 178.103 176.094 -0.551 0.000 1.053 411 V CA 2.252 64.201 62.300 -0.585 0.000 1.027 411 V CB -0.990 30.228 31.823 -1.009 0.000 0.646 411 V HN 0.563 nan 8.190 nan 0.000 0.447 412 F N -0.252 119.586 119.950 -0.186 0.000 2.456 412 F HA -0.015 4.509 4.527 -0.005 0.000 0.298 412 F C 2.387 178.163 175.800 -0.040 0.000 1.104 412 F CA 1.070 58.997 58.000 -0.121 0.000 1.435 412 F CB -0.688 38.215 39.000 -0.162 0.000 1.078 412 F HN 0.166 nan 8.300 nan 0.000 0.546 413 Q N 0.319 120.164 119.800 0.074 0.000 2.123 413 Q HA -0.155 4.182 4.340 -0.005 0.000 0.199 413 Q C 2.111 178.131 176.000 0.033 0.000 0.966 413 Q CA 1.435 57.292 55.803 0.090 0.000 0.845 413 Q CB -0.356 28.414 28.738 0.054 0.000 0.907 413 Q HN 0.305 nan 8.270 nan 0.000 0.439 414 M N -0.837 118.752 119.600 -0.019 0.000 2.086 414 M HA -0.098 4.379 4.480 -0.005 0.000 0.261 414 M C 1.764 178.078 176.300 0.023 0.000 1.067 414 M CA 1.407 56.691 55.300 -0.027 0.000 1.116 414 M CB -0.516 32.055 32.600 -0.048 0.000 1.348 414 M HN 0.126 nan 8.290 nan 0.000 0.407 415 V N 0.086 120.042 119.914 0.069 0.000 2.343 415 V HA -0.300 3.817 4.120 -0.005 0.000 0.247 415 V C 2.416 178.724 176.094 0.356 0.000 1.051 415 V CA 2.083 64.520 62.300 0.229 0.000 1.036 415 V CB -0.679 31.284 31.823 0.234 0.000 0.654 415 V HN 0.472 nan 8.190 nan 0.000 0.451 416 R N -0.519 120.137 120.500 0.261 0.000 2.073 416 R HA -0.107 4.229 4.340 -0.005 0.000 0.234 416 R C 2.578 179.089 176.300 0.352 0.000 1.134 416 R CA 1.273 57.593 56.100 0.368 0.000 0.952 416 R CB -0.345 30.110 30.300 0.259 0.000 0.850 416 R HN 0.341 nan 8.270 nan 0.000 0.433 417 R N -0.274 120.230 120.500 0.006 0.000 2.081 417 R HA -0.164 4.173 4.340 -0.005 0.000 0.235 417 R C 2.064 178.130 176.300 -0.390 0.000 1.131 417 R CA 1.401 57.243 56.100 -0.430 0.000 0.960 417 R CB -0.815 28.808 30.300 -1.129 0.000 0.856 417 R HN 0.361 nan 8.270 nan 0.000 0.436 418 Y N -0.117 120.028 120.300 -0.258 0.000 2.242 418 Y HA -0.202 4.345 4.550 -0.006 0.000 0.291 418 Y C 1.288 177.080 175.900 -0.181 0.000 1.137 418 Y CA 1.457 59.492 58.100 -0.108 0.000 1.181 418 Y CB -0.060 38.315 38.460 -0.141 0.000 0.989 418 Y HN -0.012 nan 8.280 nan 0.000 0.527 419 Y N -0.814 119.582 120.300 0.160 0.000 2.457 419 Y HA 0.133 4.681 4.550 -0.004 0.000 0.263 419 Y C 0.631 176.496 175.900 -0.059 0.000 1.164 419 Y CA -0.370 57.782 58.100 0.086 0.000 1.274 419 Y CB -0.320 38.250 38.460 0.184 0.000 1.097 419 Y HN -0.060 nan 8.280 nan 0.000 0.523 420 N N 1.006 119.628 118.700 -0.129 0.000 2.447 420 N HA 0.144 4.881 4.740 -0.005 0.000 0.263 420 N C 1.126 176.318 175.510 -0.530 0.000 1.226 420 N CA 1.527 54.080 53.050 -0.829 0.000 0.906 420 N CB 0.642 38.621 38.487 -0.846 0.000 1.060 420 N HN 0.565 nan 8.380 nan 0.000 0.468 421 G N 3.107 111.577 108.800 -0.551 0.000 2.195 421 G HA2 -0.289 3.668 3.960 -0.005 0.000 0.246 421 G HA3 -0.289 3.668 3.960 -0.005 0.000 0.246 421 G C 0.992 175.808 174.900 -0.141 0.000 0.984 421 G CA 0.554 45.483 45.100 -0.285 0.000 0.633 421 G HN 0.649 nan 8.290 nan 0.000 0.525 422 R N -0.696 119.750 120.500 -0.091 0.000 2.225 422 R HA 0.452 4.788 4.340 -0.005 0.000 0.194 422 R C 2.136 178.486 176.300 0.084 0.000 0.949 422 R CA 1.121 57.237 56.100 0.027 0.000 1.088 422 R CB 0.235 30.579 30.300 0.075 0.000 1.106 422 R HN 0.319 nan 8.270 nan 0.000 0.566 423 V N -0.272 119.695 119.914 0.089 0.000 3.263 423 V HA 0.381 4.498 4.120 -0.005 0.000 0.248 423 V C 0.821 176.998 176.094 0.138 0.000 1.145 423 V CA 0.990 63.319 62.300 0.049 0.000 1.107 423 V CB 1.065 32.791 31.823 -0.163 0.000 0.797 423 V HN 0.562 nan 8.190 nan 0.000 0.467 424 G N -0.154 108.744 108.800 0.163 0.000 2.348 424 G HA2 0.488 4.445 3.960 -0.005 0.000 0.296 424 G HA3 0.488 4.445 3.960 -0.005 0.000 0.296 424 G C -0.940 173.924 174.900 -0.060 0.000 1.258 424 G CA 0.288 45.495 45.100 0.179 0.000 0.868 424 G HN 0.184 nan 8.290 nan 0.000 0.488 425 T N -2.160 112.400 114.554 0.009 0.000 2.916 425 T HA 0.753 5.100 4.350 -0.005 0.000 0.298 425 T C -1.030 173.676 174.700 0.011 0.000 1.031 425 T CA -0.400 61.550 62.100 -0.249 0.000 0.993 425 T CB 1.706 70.480 68.868 -0.156 0.000 1.045 425 T HN 1.840 nan 8.240 nan 0.000 0.454 426 W N 0.125 121.383 121.300 -0.070 0.000 3.005 426 W HA 0.800 5.457 4.660 -0.004 0.000 0.343 426 W C -1.451 175.007 176.519 -0.101 0.000 1.243 426 W CA -1.317 55.968 57.345 -0.100 0.000 1.186 426 W CB 0.727 30.104 29.460 -0.138 0.000 1.453 426 W HN 0.622 nan 8.180 nan 0.000 0.575 427 K N 1.645 122.127 120.400 0.137 0.000 2.298 427 K HA 0.124 4.441 4.320 -0.005 0.000 0.280 427 K C 0.842 177.529 176.600 0.144 0.000 1.032 427 K CA 0.062 56.378 56.287 0.049 0.000 0.958 427 K CB 0.483 32.989 32.500 0.009 0.000 0.978 427 K HN 0.453 nan 8.250 nan 0.000 0.472 428 D N 1.523 121.970 120.400 0.079 0.000 2.315 428 D HA -0.167 4.470 4.640 -0.005 0.000 0.211 428 D C 0.350 176.710 176.300 0.100 0.000 0.977 428 D CA 1.195 55.268 54.000 0.121 0.000 0.894 428 D CB 0.159 40.988 40.800 0.049 0.000 0.910 428 D HN 0.624 nan 8.370 nan 0.000 0.490 429 D N -0.565 119.853 120.400 0.029 0.000 2.440 429 D HA 0.050 4.687 4.640 -0.005 0.000 0.216 429 D C 0.191 176.331 176.300 -0.266 0.000 1.150 429 D CA -0.098 53.903 54.000 0.002 0.000 0.832 429 D CB 0.159 41.006 40.800 0.078 0.000 0.992 429 D HN 0.096 nan 8.370 nan 0.000 0.502 430 E N 1.150 121.107 120.200 -0.404 0.000 2.299 430 E HA 0.378 4.725 4.350 -0.005 0.000 0.265 430 E C -2.601 173.391 176.600 -1.014 0.000 0.911 430 E CA -2.454 53.559 56.400 -0.644 0.000 0.789 430 E CB 2.044 31.577 29.700 -0.278 0.000 1.246 430 E HN -0.051 nan 8.360 nan 0.000 0.427 431 P HA -0.114 nan 4.420 nan 0.000 0.264 431 P C -0.918 175.954 177.300 -0.714 0.000 1.183 431 P CA 0.543 63.030 63.100 -1.023 0.000 0.763 431 P CB 0.617 31.950 31.700 -0.612 0.000 0.807 432 D N 2.386 122.278 120.400 -0.846 0.000 2.564 432 D HA 0.109 4.746 4.640 -0.005 0.000 0.273 432 D C 0.322 176.263 176.300 -0.597 0.000 1.192 432 D CA -0.504 52.748 54.000 -1.246 0.000 1.080 432 D CB 0.665 40.282 40.800 -1.971 0.000 1.160 432 D HN 0.350 nan 8.370 nan 0.000 0.607 433 N N -0.390 118.000 118.700 -0.516 0.000 2.365 433 N HA 0.112 4.849 4.740 -0.005 0.000 0.257 433 N C -0.445 174.981 175.510 -0.140 0.000 1.287 433 N CA -0.375 52.571 53.050 -0.174 0.000 0.882 433 N CB -0.071 38.412 38.487 -0.006 0.000 1.250 433 N HN 0.372 nan 8.380 nan 0.000 0.507 434 I N 1.567 121.982 120.570 -0.258 0.000 2.278 434 I HA 0.234 4.401 4.170 -0.005 0.000 0.300 434 I C 0.588 176.690 176.117 -0.024 0.000 1.174 434 I CA -0.411 60.760 61.300 -0.216 0.000 1.347 434 I CB 0.047 37.882 38.000 -0.275 0.000 1.473 434 I HN 0.142 nan 8.210 nan 0.000 0.595 435 A N 7.928 130.819 122.820 0.117 0.000 2.316 435 A HA 0.854 5.171 4.320 -0.005 0.000 0.284 435 A C -0.199 177.498 177.584 0.189 0.000 1.115 435 A CA -0.438 51.676 52.037 0.127 0.000 0.812 435 A CB 0.702 19.821 19.000 0.198 0.000 1.064 435 A HN 0.741 nan 8.150 nan 0.000 0.489 436 I N -1.382 119.242 120.570 0.091 0.000 2.769 436 I HA 0.644 4.811 4.170 -0.005 0.000 0.298 436 I C -1.362 174.858 176.117 0.171 0.000 1.128 436 I CA -0.790 60.595 61.300 0.143 0.000 1.031 436 I CB 2.473 40.565 38.000 0.154 0.000 1.235 436 I HN 0.441 nan 8.210 nan 0.000 0.423 437 D N 5.206 125.732 120.400 0.209 0.000 2.423 437 D HA 0.477 5.114 4.640 -0.005 0.000 0.235 437 D C -0.101 176.300 176.300 0.168 0.000 1.011 437 D CA -0.518 53.624 54.000 0.237 0.000 0.963 437 D CB 2.253 43.175 40.800 0.204 0.000 1.349 437 D HN 0.835 nan 8.370 nan 0.000 0.508 438 M N 0.087 119.775 119.600 0.147 0.000 2.302 438 M HA -0.263 4.214 4.480 -0.005 0.000 0.200 438 M C -0.336 176.054 176.300 0.149 0.000 0.366 438 M CA 0.384 55.757 55.300 0.121 0.000 0.440 438 M CB -1.111 31.540 32.600 0.084 0.000 1.475 438 M HN 0.256 nan 8.290 nan 0.000 0.905 439 M N 1.232 120.959 119.600 0.212 0.000 2.084 439 M HA 0.569 5.046 4.480 -0.005 0.000 0.351 439 M C -0.729 175.776 176.300 0.341 0.000 1.240 439 M CA -0.015 55.453 55.300 0.281 0.000 1.083 439 M CB 0.521 33.359 32.600 0.397 0.000 1.593 439 M HN 0.260 nan 8.290 nan 0.000 0.463 440 I N 2.777 123.497 120.570 0.249 0.000 2.433 440 I HA 0.368 4.535 4.170 -0.005 0.000 0.292 440 I C -0.217 175.930 176.117 0.049 0.000 1.001 440 I CA -0.720 60.689 61.300 0.182 0.000 1.119 440 I CB 2.102 40.158 38.000 0.093 0.000 1.289 440 I HN 0.633 nan 8.210 nan 0.000 0.438 441 S N 3.851 119.400 115.700 -0.252 0.000 2.554 441 S HA 0.230 4.697 4.470 -0.005 0.000 0.278 441 S C 0.830 175.203 174.600 -0.377 0.000 1.242 441 S CA -0.451 57.341 58.200 -0.679 0.000 1.051 441 S CB 1.006 63.337 63.200 -1.447 0.000 0.986 441 S HN 0.669 nan 8.310 nan 0.000 0.502 442 E N 1.988 121.976 120.200 -0.352 0.000 2.478 442 E HA -0.053 4.294 4.350 -0.005 0.000 0.198 442 E C 1.039 177.410 176.600 -0.381 0.000 1.046 442 E CA 0.383 56.591 56.400 -0.320 0.000 0.870 442 E CB 0.175 29.678 29.700 -0.328 0.000 0.818 442 E HN 0.618 nan 8.360 nan 0.000 0.527 443 E N -0.050 119.886 120.200 -0.441 0.000 2.285 443 E HA -0.001 4.346 4.350 -0.005 0.000 0.194 443 E C 0.522 176.996 176.600 -0.209 0.000 0.997 443 E CA 0.633 56.827 56.400 -0.343 0.000 0.845 443 E CB 0.463 29.967 29.700 -0.326 0.000 0.782 443 E HN 0.243 nan 8.360 nan 0.000 0.491 444 L N 2.220 123.335 121.223 -0.180 0.000 2.511 444 L HA 0.208 4.545 4.340 -0.005 0.000 0.252 444 L C 0.145 176.984 176.870 -0.052 0.000 1.542 444 L CA -0.354 54.439 54.840 -0.078 0.000 0.822 444 L CB 0.540 42.596 42.059 -0.006 0.000 1.050 444 L HN -0.081 nan 8.230 nan 0.000 0.516 445 N N -0.221 118.436 118.700 -0.072 0.000 2.170 445 N HA 0.125 4.862 4.740 -0.005 0.000 0.222 445 N C 1.026 176.516 175.510 -0.033 0.000 1.218 445 N CA 0.327 53.349 53.050 -0.048 0.000 0.889 445 N CB 1.108 39.551 38.487 -0.073 0.000 1.083 445 N HN 0.375 nan 8.380 nan 0.000 0.520 446 G N -0.394 108.386 108.800 -0.033 0.000 2.155 446 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.257 446 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.257 446 G C 0.392 175.273 174.900 -0.031 0.000 0.983 446 G CA 0.708 45.793 45.100 -0.024 0.000 0.676 446 G HN 0.315 nan 8.290 nan 0.000 0.528 447 V N -0.659 119.228 119.914 -0.045 0.000 3.161 447 V HA 0.223 4.340 4.120 -0.005 0.000 0.221 447 V C 1.355 177.416 176.094 -0.056 0.000 1.296 447 V CA 0.568 62.842 62.300 -0.044 0.000 1.306 447 V CB -0.158 31.638 31.823 -0.046 0.000 1.171 447 V HN 0.314 nan 8.190 nan 0.000 0.513 448 N N 2.644 121.294 118.700 -0.084 0.000 2.415 448 N HA 0.299 5.036 4.740 -0.005 0.000 0.248 448 N C -0.026 175.431 175.510 -0.088 0.000 1.271 448 N CA 0.274 53.261 53.050 -0.105 0.000 0.913 448 N CB 0.475 38.865 38.487 -0.161 0.000 1.129 448 N HN 0.492 nan 8.380 nan 0.000 0.444 449 R N -0.469 119.980 120.500 -0.085 0.000 2.762 449 R HA 0.358 4.695 4.340 -0.005 0.000 0.271 449 R C -1.857 174.405 176.300 -0.063 0.000 1.038 449 R CA -0.683 55.378 56.100 -0.064 0.000 0.906 449 R CB 0.675 30.952 30.300 -0.039 0.000 1.259 449 R HN 0.271 nan 8.270 nan 0.000 0.457 450 D N 1.990 122.362 120.400 -0.047 0.000 2.454 450 D HA 0.338 4.975 4.640 -0.005 0.000 0.225 450 D C 0.128 176.416 176.300 -0.021 0.000 1.081 450 D CA -0.352 53.624 54.000 -0.039 0.000 0.864 450 D CB 1.316 42.092 40.800 -0.040 0.000 1.040 450 D HN 0.241 nan 8.370 nan 0.000 0.517 451 L N 1.679 122.897 121.223 -0.008 0.000 2.467 451 L HA 0.179 4.516 4.340 -0.005 0.000 0.270 451 L C 1.972 178.846 176.870 0.006 0.000 1.205 451 L CA -0.124 54.722 54.840 0.009 0.000 0.828 451 L CB 0.915 42.996 42.059 0.037 0.000 1.101 451 L HN 0.190 nan 8.230 nan 0.000 0.479 452 R N 0.435 120.938 120.500 0.006 0.000 2.254 452 R HA 0.038 4.375 4.340 -0.005 0.000 0.195 452 R C -0.059 176.244 176.300 0.006 0.000 0.957 452 R CA 0.189 56.291 56.100 0.002 0.000 1.024 452 R CB 0.252 30.551 30.300 -0.002 0.000 0.952 452 R HN 0.617 nan 8.270 nan 0.000 0.484 453 Q N 0.051 119.858 119.800 0.011 0.000 2.553 453 Q HA 0.450 4.787 4.340 -0.005 0.000 0.293 453 Q C -3.090 172.925 176.000 0.025 0.000 1.038 453 Q CA -2.965 52.844 55.803 0.011 0.000 0.777 453 Q CB 0.861 29.599 28.738 0.001 0.000 1.487 453 Q HN -0.279 nan 8.270 nan 0.000 0.426 454 P HA -0.028 nan 4.420 nan 0.000 0.266 454 P C -0.878 176.455 177.300 0.055 0.000 1.193 454 P CA 0.088 63.214 63.100 0.043 0.000 0.770 454 P CB -0.015 31.698 31.700 0.021 0.000 0.836 455 Y N 2.702 122.992 120.300 -0.017 0.000 2.610 455 Y HA 0.103 4.650 4.550 -0.005 0.000 0.332 455 Y C 0.174 176.062 175.900 -0.019 0.000 1.201 455 Y CA -0.036 58.051 58.100 -0.022 0.000 1.465 455 Y CB 0.058 38.502 38.460 -0.026 0.000 1.283 455 Y HN 0.267 nan 8.280 nan 0.000 0.563 456 D N 8.340 128.266 120.400 -0.790 0.000 2.441 456 D HA 0.286 4.923 4.640 -0.005 0.000 0.231 456 D C -2.154 173.546 176.300 -1.001 0.000 1.073 456 D CA -2.599 50.999 54.000 -0.671 0.000 0.850 456 D CB 1.530 42.145 40.800 -0.310 0.000 1.062 456 D HN 0.393 nan 8.370 nan 0.000 0.524 457 P HA -0.045 nan 4.420 nan 0.000 0.242 457 P C 0.769 177.964 177.300 -0.175 0.000 1.197 457 P CA 0.639 63.484 63.100 -0.425 0.000 0.765 457 P CB 0.083 31.693 31.700 -0.149 0.000 0.936 458 T N -4.259 110.184 114.554 -0.185 0.000 3.040 458 T HA 0.488 4.835 4.350 -0.005 0.000 0.250 458 T C 0.767 175.419 174.700 -0.079 0.000 1.058 458 T CA -0.219 61.823 62.100 -0.097 0.000 0.988 458 T CB 0.060 68.878 68.868 -0.083 0.000 0.993 458 T HN 0.049 nan 8.240 nan 0.000 0.519 459 A N 2.669 125.426 122.820 -0.106 0.000 2.365 459 A HA 0.783 5.099 4.320 -0.005 0.000 0.318 459 A C -2.900 174.673 177.584 -0.018 0.000 1.091 459 A CA -2.283 49.718 52.037 -0.060 0.000 0.763 459 A CB 1.314 20.273 19.000 -0.070 0.000 1.248 459 A HN 0.161 nan 8.150 nan 0.000 0.442 460 P HA 0.053 nan 4.420 nan 0.000 0.269 460 P C 0.845 178.173 177.300 0.046 0.000 1.209 460 P CA -0.170 62.948 63.100 0.030 0.000 0.776 460 P CB 0.745 32.453 31.700 0.013 0.000 0.876 461 I N 2.879 123.493 120.570 0.073 0.000 2.236 461 I HA -0.289 3.877 4.170 -0.005 0.000 0.249 461 I C 1.814 177.950 176.117 0.031 0.000 1.102 461 I CA 1.853 63.197 61.300 0.074 0.000 1.365 461 I CB -0.744 37.279 38.000 0.038 0.000 1.051 461 I HN 0.351 nan 8.210 nan 0.000 0.420 462 E N 0.085 120.293 120.200 0.013 0.000 2.265 462 E HA -0.180 4.167 4.350 -0.005 0.000 0.196 462 E C 1.258 177.859 176.600 0.002 0.000 0.996 462 E CA 1.206 57.607 56.400 0.002 0.000 0.832 462 E CB -0.214 29.484 29.700 -0.003 0.000 0.756 462 E HN 0.511 nan 8.360 nan 0.000 0.491 463 D N 0.100 120.502 120.400 0.004 0.000 2.340 463 D HA 0.025 4.662 4.640 -0.005 0.000 0.217 463 D C -0.268 176.030 176.300 -0.003 0.000 1.081 463 D CA 0.234 54.232 54.000 -0.003 0.000 0.842 463 D CB 0.219 41.015 40.800 -0.008 0.000 0.934 463 D HN 0.224 nan 8.370 nan 0.000 0.511 464 Q N 1.199 121.003 119.800 0.007 0.000 2.325 464 Q HA 0.362 4.699 4.340 -0.005 0.000 0.262 464 Q C -2.490 173.515 176.000 0.008 0.000 0.968 464 Q CA -1.975 53.833 55.803 0.009 0.000 0.877 464 Q CB 1.810 30.568 28.738 0.033 0.000 1.253 464 Q HN -0.113 nan 8.270 nan 0.000 0.448 465 P HA 0.119 nan 4.420 nan 0.000 0.265 465 P C -0.314 176.987 177.300 0.001 0.000 1.193 465 P CA 0.307 63.406 63.100 -0.001 0.000 0.765 465 P CB 0.687 32.385 31.700 -0.004 0.000 0.823 466 G N 1.807 110.605 108.800 -0.003 0.000 2.328 466 G HA2 0.305 4.262 3.960 -0.005 0.000 0.295 466 G HA3 0.305 4.262 3.960 -0.005 0.000 0.295 466 G C -1.603 173.290 174.900 -0.012 0.000 1.413 466 G CA -0.806 44.291 45.100 -0.006 0.000 0.817 466 G HN 0.370 nan 8.290 nan 0.000 0.546 467 I N 1.384 121.944 120.570 -0.017 0.000 2.322 467 I HA 0.257 4.423 4.170 -0.005 0.000 0.292 467 I C 0.540 176.642 176.117 -0.026 0.000 1.060 467 I CA -0.694 60.595 61.300 -0.020 0.000 1.309 467 I CB 1.223 39.210 38.000 -0.021 0.000 1.415 467 I HN 0.154 nan 8.210 nan 0.000 0.492 468 V N 7.124 127.024 119.914 -0.023 0.000 2.637 468 V HA 0.133 4.250 4.120 -0.005 0.000 0.296 468 V C 0.853 176.928 176.094 -0.031 0.000 1.046 468 V CA -0.616 61.667 62.300 -0.028 0.000 1.066 468 V CB 0.288 32.097 31.823 -0.022 0.000 0.968 468 V HN 0.610 nan 8.190 nan 0.000 0.483 469 R N 2.600 123.075 120.500 -0.043 0.000 2.389 469 R HA 0.224 4.561 4.340 -0.005 0.000 0.295 469 R C 0.270 176.553 176.300 -0.028 0.000 1.075 469 R CA -0.141 55.932 56.100 -0.045 0.000 1.005 469 R CB 0.355 30.613 30.300 -0.071 0.000 0.987 469 R HN 0.741 nan 8.270 nan 0.000 0.452 470 T N 3.520 118.066 114.554 -0.014 0.000 2.934 470 T HA -0.019 4.328 4.350 -0.005 0.000 0.306 470 T C 0.826 175.534 174.700 0.013 0.000 1.042 470 T CA 0.164 62.267 62.100 0.005 0.000 1.145 470 T CB 0.418 69.298 68.868 0.021 0.000 0.982 470 T HN 0.274 nan 8.240 nan 0.000 0.544 471 R N 3.425 123.936 120.500 0.018 0.000 2.248 471 R HA 0.339 4.676 4.340 -0.005 0.000 0.328 471 R C -0.711 175.625 176.300 0.060 0.000 1.067 471 R CA -0.169 55.947 56.100 0.028 0.000 0.924 471 R CB -0.033 30.278 30.300 0.018 0.000 1.013 471 R HN 0.603 nan 8.270 nan 0.000 0.454 472 I N 5.552 126.177 120.570 0.091 0.000 2.410 472 I HA 0.215 4.382 4.170 -0.005 0.000 0.286 472 I C -0.620 175.595 176.117 0.162 0.000 1.009 472 I CA -1.076 60.307 61.300 0.138 0.000 1.111 472 I CB 2.055 40.158 38.000 0.171 0.000 1.262 472 I HN 0.305 nan 8.210 nan 0.000 0.443 473 V N 6.909 126.899 119.914 0.127 0.000 2.364 473 V HA 0.457 4.574 4.120 -0.005 0.000 0.272 473 V C 0.325 176.480 176.094 0.101 0.000 1.036 473 V CA -0.678 61.695 62.300 0.121 0.000 0.880 473 V CB 1.007 32.878 31.823 0.080 0.000 0.991 473 V HN 0.619 nan 8.190 nan 0.000 0.460 474 R N 2.642 123.203 120.500 0.101 0.000 2.758 474 R HA 0.581 4.918 4.340 -0.005 0.000 0.265 474 R C -0.597 175.670 176.300 -0.055 0.000 1.016 474 R CA -0.693 55.364 56.100 -0.071 0.000 1.040 474 R CB 1.795 31.896 30.300 -0.331 0.000 1.152 474 R HN 0.880 nan 8.270 nan 0.000 0.503 475 H N 0.862 119.734 119.070 -0.331 0.000 2.806 475 H HA 0.446 4.999 4.556 -0.005 0.000 0.367 475 H C -1.448 173.641 175.328 -0.399 0.000 1.136 475 H CA -0.483 55.454 56.048 -0.185 0.000 1.178 475 H CB 1.249 30.961 29.762 -0.084 0.000 1.718 475 H HN 0.326 nan 8.280 nan 0.000 0.540 476 F N 2.291 121.813 119.950 -0.714 0.000 2.551 476 F HA 0.201 4.725 4.527 -0.005 0.000 0.316 476 F C 1.089 176.531 175.800 -0.597 0.000 1.089 476 F CA -0.727 57.006 58.000 -0.446 0.000 0.915 476 F CB 1.951 40.844 39.000 -0.177 0.000 1.186 476 F HN 0.521 nan 8.300 nan 0.000 0.456 477 D N 0.384 120.739 120.400 -0.075 0.000 2.289 477 D HA 0.032 4.668 4.640 -0.005 0.000 0.207 477 D C 0.235 176.541 176.300 0.010 0.000 0.966 477 D CA 0.923 54.932 54.000 0.015 0.000 0.868 477 D CB 0.482 41.345 40.800 0.104 0.000 0.943 477 D HN 0.453 nan 8.370 nan 0.000 0.514 478 S N -1.694 114.011 115.700 0.008 0.000 2.611 478 S HA 0.543 5.009 4.470 -0.005 0.000 0.268 478 S C 0.420 174.961 174.600 -0.098 0.000 1.156 478 S CA -0.335 57.826 58.200 -0.065 0.000 0.817 478 S CB 1.630 64.784 63.200 -0.076 0.000 1.122 478 S HN -0.088 nan 8.310 nan 0.000 0.466 479 A N 0.378 123.111 122.820 -0.144 0.000 2.119 479 A HA 0.112 4.429 4.320 -0.005 0.000 0.217 479 A C 1.530 179.054 177.584 -0.100 0.000 1.153 479 A CA 0.700 52.618 52.037 -0.198 0.000 0.692 479 A CB -0.890 18.086 19.000 -0.040 0.000 0.799 479 A HN 0.879 nan 8.150 nan 0.000 0.458 480 W N 0.608 121.776 121.300 -0.221 0.000 2.381 480 W HA -0.150 4.507 4.660 -0.006 0.000 0.301 480 W C 1.963 178.438 176.519 -0.073 0.000 1.205 480 W CA 1.674 58.943 57.345 -0.127 0.000 1.285 480 W CB 0.016 29.389 29.460 -0.146 0.000 1.133 480 W HN 0.615 nan 8.180 nan 0.000 0.521 481 E N 0.524 120.771 120.200 0.080 0.000 2.047 481 E HA -0.240 4.107 4.350 -0.005 0.000 0.191 481 E C 2.377 178.935 176.600 -0.070 0.000 0.987 481 E CA 1.560 58.015 56.400 0.093 0.000 0.799 481 E CB -0.597 29.227 29.700 0.206 0.000 0.752 481 E HN 0.229 nan 8.360 nan 0.000 0.449 482 L N 0.531 121.542 121.223 -0.354 0.000 2.013 482 L HA -0.257 4.080 4.340 -0.005 0.000 0.212 482 L C 2.906 179.317 176.870 -0.764 0.000 1.073 482 L CA 1.705 56.096 54.840 -0.749 0.000 0.753 482 L CB -0.475 40.797 42.059 -1.311 0.000 0.890 482 L HN 0.368 nan 8.230 nan 0.000 0.432 483 M N -0.992 118.260 119.600 -0.580 0.000 2.080 483 M HA -0.286 4.191 4.480 -0.005 0.000 0.260 483 M C 2.336 178.430 176.300 -0.343 0.000 1.068 483 M CA 2.034 57.127 55.300 -0.345 0.000 1.109 483 M CB -0.186 32.263 32.600 -0.251 0.000 1.342 483 M HN 0.216 nan 8.290 nan 0.000 0.405 484 F N 0.970 120.665 119.950 -0.425 0.000 2.075 484 F HA -0.209 4.315 4.527 -0.005 0.000 0.297 484 F C 2.300 177.890 175.800 -0.350 0.000 1.113 484 F CA 2.315 60.116 58.000 -0.333 0.000 1.218 484 F CB -0.744 38.092 39.000 -0.273 0.000 0.984 484 F HN 0.270 nan 8.300 nan 0.000 0.472 485 E N -0.035 119.849 120.200 -0.526 0.000 2.077 485 E HA -0.311 4.036 4.350 -0.005 0.000 0.193 485 E C 2.051 178.142 176.600 -0.849 0.000 0.989 485 E CA 1.371 57.417 56.400 -0.591 0.000 0.800 485 E CB -0.417 29.264 29.700 -0.031 0.000 0.746 485 E HN 0.503 nan 8.360 nan 0.000 0.452 486 N N 0.198 118.147 118.700 -1.252 0.000 2.149 486 N HA -0.184 4.553 4.740 -0.005 0.000 0.188 486 N C 1.535 176.676 175.510 -0.614 0.000 1.019 486 N CA 1.771 53.970 53.050 -1.417 0.000 0.857 486 N CB -0.182 37.564 38.487 -1.235 0.000 0.997 486 N HN 0.225 nan 8.380 nan 0.000 0.426 487 A N 0.970 123.462 122.820 -0.545 0.000 1.854 487 A HA -0.012 4.305 4.320 -0.005 0.000 0.214 487 A C 2.265 179.575 177.584 -0.457 0.000 1.192 487 A CA 1.418 53.214 52.037 -0.402 0.000 0.611 487 A CB -1.012 17.779 19.000 -0.349 0.000 0.832 487 A HN 0.553 nan 8.150 nan 0.000 0.442 488 I N -0.882 119.280 120.570 -0.679 0.000 2.756 488 I HA -0.125 4.042 4.170 -0.005 0.000 0.262 488 I C 2.153 177.734 176.117 -0.893 0.000 1.225 488 I CA 1.640 62.449 61.300 -0.818 0.000 1.472 488 I CB -0.518 36.751 38.000 -1.218 0.000 1.094 488 I HN 0.312 nan 8.210 nan 0.000 0.454 489 S N 1.892 117.254 115.700 -0.563 0.000 2.400 489 S HA -0.134 4.333 4.470 -0.005 0.000 0.232 489 S C 2.052 176.552 174.600 -0.167 0.000 1.025 489 S CA 0.631 58.700 58.200 -0.218 0.000 0.993 489 S CB -0.445 62.790 63.200 0.058 0.000 0.808 489 S HN 0.485 nan 8.310 nan 0.000 0.478 490 R N 1.081 121.453 120.500 -0.213 0.000 2.148 490 R HA 0.268 4.605 4.340 -0.005 0.000 0.223 490 R C 2.134 178.378 176.300 -0.093 0.000 1.088 490 R CA 0.841 56.882 56.100 -0.099 0.000 0.985 490 R CB -1.044 29.267 30.300 0.017 0.000 0.880 490 R HN 0.539 nan 8.270 nan 0.000 0.451 491 I N -0.010 120.431 120.570 -0.216 0.000 2.406 491 I HA -0.178 3.989 4.170 -0.005 0.000 0.249 491 I C 1.550 177.670 176.117 0.004 0.000 1.122 491 I CA 0.852 62.063 61.300 -0.148 0.000 1.431 491 I CB -0.236 37.632 38.000 -0.221 0.000 1.087 491 I HN -0.082 nan 8.210 nan 0.000 0.424 492 F N 0.746 120.692 119.950 -0.008 0.000 2.234 492 F HA -0.114 4.410 4.527 -0.005 0.000 0.299 492 F C 2.188 177.974 175.800 -0.024 0.000 1.087 492 F CA 1.063 59.059 58.000 -0.005 0.000 1.340 492 F CB -0.970 38.007 39.000 -0.039 0.000 1.031 492 F HN 0.002 nan 8.300 nan 0.000 0.500 493 L N -0.994 120.301 121.223 0.120 0.000 2.418 493 L HA 0.169 4.506 4.340 -0.005 0.000 0.218 493 L C 1.786 178.629 176.870 -0.045 0.000 1.125 493 L CA 0.785 55.634 54.840 0.014 0.000 0.835 493 L CB -0.809 41.231 42.059 -0.031 0.000 0.953 493 L HN 0.364 nan 8.230 nan 0.000 0.454 494 G N 0.322 109.114 108.800 -0.014 0.000 2.147 494 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.244 494 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.244 494 G C 0.730 175.543 174.900 -0.145 0.000 1.005 494 G CA 0.451 45.541 45.100 -0.016 0.000 0.713 494 G HN 0.308 nan 8.290 nan 0.000 0.515 495 V N -4.206 115.586 119.914 -0.204 0.000 3.644 495 V HA 0.469 4.586 4.120 -0.005 0.000 0.267 495 V C 0.744 176.507 176.094 -0.552 0.000 1.277 495 V CA 0.664 62.749 62.300 -0.358 0.000 1.096 495 V CB 0.019 31.629 31.823 -0.354 0.000 0.828 495 V HN 0.415 nan 8.190 nan 0.000 0.446 496 H N -1.347 117.592 119.070 -0.218 0.000 2.851 496 H HA 0.419 4.972 4.556 -0.005 0.000 0.372 496 H C -1.438 173.728 175.328 -0.270 0.000 1.158 496 H CA -1.152 54.775 56.048 -0.202 0.000 1.159 496 H CB 1.425 31.122 29.762 -0.107 0.000 1.757 496 H HN 0.364 nan 8.280 nan 0.000 0.546 497 W N 2.576 123.829 121.300 -0.078 0.000 2.129 497 W HA 0.189 4.846 4.660 -0.005 0.000 0.349 497 W C 2.016 178.281 176.519 -0.423 0.000 1.279 497 W CA -0.611 56.494 57.345 -0.400 0.000 1.306 497 W CB 1.017 29.871 29.460 -1.010 0.000 1.140 497 W HN 0.650 nan 8.180 nan 0.000 0.613 498 R N 0.641 121.065 120.500 -0.127 0.000 2.105 498 R HA -0.210 4.127 4.340 -0.005 0.000 0.239 498 R C 1.416 177.710 176.300 -0.010 0.000 1.135 498 R CA 1.902 57.970 56.100 -0.052 0.000 0.967 498 R CB -1.153 29.152 30.300 0.008 0.000 0.861 498 R HN 0.626 nan 8.270 nan 0.000 0.442 499 F N 0.608 120.653 119.950 0.159 0.000 2.748 499 F HA 0.247 4.770 4.527 -0.005 0.000 0.299 499 F C 0.834 176.751 175.800 0.196 0.000 1.154 499 F CA -0.171 57.902 58.000 0.123 0.000 1.446 499 F CB -0.210 38.809 39.000 0.031 0.000 1.112 499 F HN -0.170 nan 8.300 nan 0.000 0.584 500 D N 1.178 121.660 120.400 0.136 0.000 2.277 500 D HA 0.032 4.669 4.640 -0.005 0.000 0.208 500 D C 2.206 178.436 176.300 -0.117 0.000 0.962 500 D CA 1.206 55.265 54.000 0.097 0.000 0.865 500 D CB -0.015 40.838 40.800 0.088 0.000 0.939 500 D HN 0.426 nan 8.370 nan 0.000 0.510 501 A N 0.162 122.931 122.820 -0.085 0.000 1.862 501 A HA 0.577 4.894 4.320 -0.005 0.000 0.211 501 A C 1.061 178.594 177.584 -0.085 0.000 1.220 501 A CA 1.219 53.175 52.037 -0.136 0.000 0.616 501 A CB 0.164 19.087 19.000 -0.129 0.000 0.878 501 A HN 0.224 nan 8.150 nan 0.000 0.453 502 A N -2.623 120.216 122.820 0.032 0.000 2.564 502 A HA 0.647 4.964 4.320 -0.005 0.000 0.291 502 A C -0.240 177.437 177.584 0.156 0.000 1.102 502 A CA -0.156 51.941 52.037 0.100 0.000 0.660 502 A CB -0.318 18.814 19.000 0.220 0.000 1.283 502 A HN 1.671 nan 8.150 nan 0.000 0.430 503 A N 0.062 122.981 122.820 0.165 0.000 2.546 503 A HA 0.502 4.819 4.320 -0.005 0.000 0.243 503 A C 1.455 179.087 177.584 0.079 0.000 1.063 503 A CA 0.674 52.792 52.037 0.135 0.000 0.757 503 A CB -0.323 18.750 19.000 0.121 0.000 0.991 503 A HN 2.322 nan 8.150 nan 0.000 0.503 504 A N 2.540 125.378 122.820 0.030 0.000 1.978 504 A HA -0.187 4.130 4.320 -0.005 0.000 0.220 504 A C 2.145 179.523 177.584 -0.343 0.000 1.170 504 A CA 1.856 53.773 52.037 -0.201 0.000 0.636 504 A CB -0.393 18.441 19.000 -0.277 0.000 0.810 504 A HN 0.944 nan 8.150 nan 0.000 0.448 505 R N -0.472 119.997 120.500 -0.051 0.000 2.120 505 R HA -0.137 4.200 4.340 -0.005 0.000 0.234 505 R C 0.773 177.105 176.300 0.053 0.000 1.123 505 R CA 1.666 57.831 56.100 0.109 0.000 0.975 505 R CB -0.150 30.255 30.300 0.176 0.000 0.866 505 R HN 0.441 nan 8.270 nan 0.000 0.446 506 D N -0.194 120.223 120.400 0.027 0.000 2.333 506 D HA -0.036 4.601 4.640 -0.005 0.000 0.208 506 D C 1.614 177.887 176.300 -0.044 0.000 0.984 506 D CA 0.971 54.967 54.000 -0.006 0.000 0.873 506 D CB 0.297 41.107 40.800 0.016 0.000 0.935 506 D HN 0.530 nan 8.370 nan 0.000 0.521 507 I N -3.261 117.313 120.570 0.006 0.000 4.323 507 I HA 0.208 4.375 4.170 -0.005 0.000 0.328 507 I C 0.381 176.552 176.117 0.090 0.000 1.310 507 I CA -0.118 61.240 61.300 0.097 0.000 1.186 507 I CB 0.389 38.569 38.000 0.300 0.000 1.130 507 I HN -0.270 nan 8.210 nan 0.000 0.411 508 L N 1.750 122.914 121.223 -0.098 0.000 2.332 508 L HA 0.514 4.850 4.340 -0.005 0.000 0.269 508 L C -0.262 176.639 176.870 0.051 0.000 1.016 508 L CA -1.135 53.610 54.840 -0.159 0.000 0.809 508 L CB 2.019 43.772 42.059 -0.510 0.000 1.280 508 L HN -0.065 nan 8.230 nan 0.000 0.447 509 I N 3.214 123.858 120.570 0.123 0.000 2.352 509 I HA 0.231 4.398 4.170 -0.005 0.000 0.290 509 I C -1.967 174.331 176.117 0.302 0.000 1.036 509 I CA -2.033 59.371 61.300 0.173 0.000 1.336 509 I CB 0.677 38.735 38.000 0.097 0.000 1.407 509 I HN 0.248 nan 8.210 nan 0.000 0.497 510 P HA 0.226 nan 4.420 nan 0.000 0.276 510 P C -0.224 177.041 177.300 -0.059 0.000 1.244 510 P CA -0.035 63.067 63.100 0.003 0.000 0.801 510 P CB 1.326 33.030 31.700 0.006 0.000 1.006 511 T N -3.543 110.914 114.554 -0.161 0.000 2.768 511 T HA 0.322 4.669 4.350 -0.005 0.000 0.268 511 T C 1.406 176.049 174.700 -0.096 0.000 0.969 511 T CA 0.046 62.088 62.100 -0.096 0.000 1.008 511 T CB -0.228 68.584 68.868 -0.093 0.000 1.371 511 T HN 0.428 nan 8.240 nan 0.000 0.587 512 T N -1.114 113.401 114.554 -0.065 0.000 2.995 512 T HA 0.116 4.463 4.350 -0.005 0.000 0.269 512 T C 0.830 175.490 174.700 -0.066 0.000 1.091 512 T CA 0.546 62.614 62.100 -0.053 0.000 1.128 512 T CB -0.763 68.085 68.868 -0.033 0.000 0.891 512 T HN 0.666 nan 8.240 nan 0.000 0.492 513 T N 2.678 117.181 114.554 -0.085 0.000 2.771 513 T HA 0.332 4.678 4.350 -0.005 0.000 0.291 513 T C -0.138 174.478 174.700 -0.139 0.000 0.954 513 T CA -0.783 61.266 62.100 -0.086 0.000 1.045 513 T CB 1.696 70.523 68.868 -0.068 0.000 0.917 513 T HN 0.232 nan 8.240 nan 0.000 0.484 514 K N 2.278 122.614 120.400 -0.107 0.000 2.382 514 K HA -0.011 4.306 4.320 -0.005 0.000 0.275 514 K C 0.049 176.567 176.600 -0.135 0.000 1.009 514 K CA 0.092 56.306 56.287 -0.122 0.000 0.970 514 K CB 0.249 32.713 32.500 -0.061 0.000 0.934 514 K HN 0.656 nan 8.250 nan 0.000 0.479 515 D N 0.189 120.477 120.400 -0.186 0.000 2.978 515 D HA -0.161 4.476 4.640 -0.005 0.000 0.205 515 D C -0.655 175.582 176.300 -0.105 0.000 1.093 515 D CA 0.844 54.807 54.000 -0.061 0.000 1.006 515 D CB -0.972 39.854 40.800 0.044 0.000 1.116 515 D HN 0.208 nan 8.370 nan 0.000 0.419 516 V N 1.085 120.803 119.914 -0.327 0.000 2.417 516 V HA 0.459 4.576 4.120 -0.005 0.000 0.291 516 V C -0.040 175.795 176.094 -0.432 0.000 1.024 516 V CA -0.674 61.513 62.300 -0.188 0.000 0.861 516 V CB 1.391 33.158 31.823 -0.094 0.000 0.985 516 V HN -0.042 nan 8.190 nan 0.000 0.436 517 Y N 1.802 122.105 120.300 0.005 0.000 2.567 517 Y HA 0.732 5.279 4.550 -0.005 0.000 0.333 517 Y C 0.713 176.601 175.900 -0.020 0.000 1.106 517 Y CA -0.776 57.317 58.100 -0.011 0.000 1.157 517 Y CB 1.318 39.762 38.460 -0.027 0.000 1.277 517 Y HN 0.705 nan 8.280 nan 0.000 0.490 518 A N 1.221 124.116 122.820 0.126 0.000 2.462 518 A HA 0.520 4.837 4.320 -0.005 0.000 0.243 518 A C -0.424 177.185 177.584 0.042 0.000 1.076 518 A CA -0.202 51.871 52.037 0.061 0.000 0.773 518 A CB -0.383 18.650 19.000 0.055 0.000 1.010 518 A HN 0.794 nan 8.150 nan 0.000 0.493 519 V N 0.484 120.419 119.914 0.034 0.000 2.876 519 V HA 0.697 4.814 4.120 -0.005 0.000 0.312 519 V C -0.359 175.757 176.094 0.037 0.000 1.085 519 V CA -0.743 61.576 62.300 0.032 0.000 0.945 519 V CB 1.737 33.580 31.823 0.033 0.000 1.017 519 V HN 0.980 nan 8.190 nan 0.000 0.428 520 D N 2.434 122.862 120.400 0.046 0.000 2.376 520 D HA 0.187 4.824 4.640 -0.005 0.000 0.268 520 D C 0.826 177.149 176.300 0.039 0.000 1.252 520 D CA 0.151 54.179 54.000 0.048 0.000 1.041 520 D CB 0.019 40.856 40.800 0.062 0.000 1.109 520 D HN 0.542 nan 8.370 nan 0.000 0.552 521 N N -0.603 118.119 118.700 0.037 0.000 2.061 521 N HA -0.228 4.509 4.740 -0.005 0.000 0.193 521 N C 0.749 176.277 175.510 0.030 0.000 1.030 521 N CA 1.942 55.010 53.050 0.030 0.000 0.856 521 N CB -0.787 37.717 38.487 0.027 0.000 1.023 521 N HN 0.652 nan 8.380 nan 0.000 0.424 522 N N -0.893 117.828 118.700 0.035 0.000 2.362 522 N HA 0.211 4.948 4.740 -0.005 0.000 0.204 522 N C 0.866 176.400 175.510 0.039 0.000 1.166 522 N CA 0.429 53.500 53.050 0.035 0.000 0.831 522 N CB 0.365 38.873 38.487 0.036 0.000 1.008 522 N HN 0.268 nan 8.380 nan 0.000 0.472 523 G N -1.703 107.121 108.800 0.040 0.000 2.179 523 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.260 523 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.260 523 G C 0.269 175.200 174.900 0.052 0.000 0.977 523 G CA 0.025 45.149 45.100 0.041 0.000 0.641 523 G HN 0.823 nan 8.290 nan 0.000 0.533 524 A N 0.421 123.280 122.820 0.065 0.000 2.388 524 A HA 0.656 4.973 4.320 -0.005 0.000 0.257 524 A C 0.851 178.480 177.584 0.075 0.000 1.095 524 A CA 0.989 53.080 52.037 0.089 0.000 0.791 524 A CB 0.314 19.379 19.000 0.109 0.000 1.029 524 A HN 0.766 nan 8.150 nan 0.000 0.489 525 T N 1.865 116.455 114.554 0.061 0.000 2.916 525 T HA 0.342 4.689 4.350 -0.005 0.000 0.303 525 T C 0.213 174.833 174.700 -0.133 0.000 1.025 525 T CA 0.092 62.147 62.100 -0.075 0.000 1.142 525 T CB 0.294 69.044 68.868 -0.197 0.000 0.947 525 T HN 0.411 nan 8.240 nan 0.000 0.544 526 V N 4.797 124.621 119.914 -0.150 0.000 2.439 526 V HA 0.479 4.596 4.120 -0.005 0.000 0.282 526 V C -0.302 175.678 176.094 -0.189 0.000 1.039 526 V CA -0.681 61.597 62.300 -0.036 0.000 0.913 526 V CB 0.647 32.498 31.823 0.048 0.000 0.983 526 V HN 0.679 nan 8.190 nan 0.000 0.460 527 F N 1.556 121.609 119.950 0.171 0.000 2.450 527 F HA 0.512 5.036 4.527 -0.005 0.000 0.328 527 F C 0.724 176.584 175.800 0.101 0.000 1.068 527 F CA -0.729 57.377 58.000 0.177 0.000 1.007 527 F CB 0.975 40.180 39.000 0.341 0.000 1.251 527 F HN 0.401 nan 8.300 nan 0.000 0.492 528 Q N 0.864 120.788 119.800 0.207 0.000 2.368 528 Q HA 0.167 4.504 4.340 -0.005 0.000 0.237 528 Q C -0.504 175.484 176.000 -0.019 0.000 0.987 528 Q CA -0.628 55.208 55.803 0.054 0.000 0.896 528 Q CB 0.477 29.201 28.738 -0.023 0.000 1.241 528 Q HN 0.477 nan 8.270 nan 0.000 0.485 529 N N 0.439 119.124 118.700 -0.026 0.000 2.513 529 N HA -0.040 4.697 4.740 -0.005 0.000 0.268 529 N C 0.992 176.408 175.510 -0.158 0.000 1.180 529 N CA 0.009 53.031 53.050 -0.046 0.000 0.948 529 N CB 1.172 39.658 38.487 -0.001 0.000 1.083 529 N HN 0.341 nan 8.380 nan 0.000 0.455 530 V N 2.117 121.905 119.914 -0.210 0.000 2.317 530 V HA -0.241 3.876 4.120 -0.005 0.000 0.251 530 V C 2.088 178.197 176.094 0.024 0.000 1.065 530 V CA 1.638 63.789 62.300 -0.248 0.000 1.049 530 V CB -0.330 31.440 31.823 -0.087 0.000 0.651 530 V HN 0.622 nan 8.190 nan 0.000 0.450 531 E N 0.012 120.229 120.200 0.029 0.000 2.204 531 E HA -0.186 4.161 4.350 -0.005 0.000 0.195 531 E C 1.600 178.200 176.600 0.000 0.000 0.990 531 E CA 1.165 57.579 56.400 0.023 0.000 0.821 531 E CB -0.233 29.465 29.700 -0.003 0.000 0.750 531 E HN 0.678 nan 8.360 nan 0.000 0.477 532 D N -0.161 120.231 120.400 -0.014 0.000 2.349 532 D HA 0.093 4.730 4.640 -0.005 0.000 0.214 532 D C 0.653 176.934 176.300 -0.032 0.000 1.063 532 D CA -0.014 53.972 54.000 -0.024 0.000 0.847 532 D CB 0.571 41.356 40.800 -0.025 0.000 0.933 532 D HN 0.163 nan 8.370 nan 0.000 0.513 533 I N 2.046 122.597 120.570 -0.032 0.000 2.496 533 I HA 0.088 4.255 4.170 -0.005 0.000 0.285 533 I C 0.325 176.424 176.117 -0.031 0.000 1.080 533 I CA 0.071 61.288 61.300 -0.138 0.000 1.404 533 I CB 0.482 38.246 38.000 -0.392 0.000 1.403 533 I HN -0.398 nan 8.210 nan 0.000 0.539 534 R N 5.913 126.307 120.500 -0.176 0.000 2.538 534 R HA 0.277 4.614 4.340 -0.005 0.000 0.292 534 R C -1.458 174.729 176.300 -0.189 0.000 1.008 534 R CA -0.903 55.163 56.100 -0.057 0.000 0.896 534 R CB 1.314 31.624 30.300 0.016 0.000 1.187 534 R HN 0.412 nan 8.270 nan 0.000 0.440 535 Y N 1.588 121.988 120.300 0.167 0.000 2.667 535 Y HA 0.072 4.618 4.550 -0.005 0.000 0.340 535 Y C 1.727 177.679 175.900 0.086 0.000 1.303 535 Y CA -0.148 58.006 58.100 0.091 0.000 1.769 535 Y CB 0.186 38.679 38.460 0.055 0.000 1.804 535 Y HN 0.570 nan 8.280 nan 0.000 0.451 536 T N -4.280 110.361 114.554 0.146 0.000 3.023 536 T HA 0.032 4.379 4.350 -0.005 0.000 0.249 536 T C 0.791 175.547 174.700 0.093 0.000 1.050 536 T CA -0.004 62.161 62.100 0.109 0.000 1.088 536 T CB -0.127 68.783 68.868 0.070 0.000 0.946 536 T HN 0.270 nan 8.240 nan 0.000 0.480 537 T N 4.297 118.909 114.554 0.097 0.000 2.784 537 T HA 0.314 4.661 4.350 -0.005 0.000 0.291 537 T C 0.147 174.901 174.700 0.088 0.000 0.942 537 T CA -0.311 61.839 62.100 0.084 0.000 1.161 537 T CB 0.332 69.251 68.868 0.085 0.000 0.885 537 T HN 0.296 nan 8.240 nan 0.000 0.534 538 R N 1.968 122.510 120.500 0.069 0.000 2.856 538 R HA 0.851 5.188 4.340 -0.005 0.000 0.258 538 R C 0.288 176.628 176.300 0.065 0.000 1.066 538 R CA -0.997 55.148 56.100 0.074 0.000 1.045 538 R CB 1.546 31.874 30.300 0.047 0.000 1.178 538 R HN 0.710 nan 8.270 nan 0.000 0.499 539 G N -0.432 108.424 108.800 0.094 0.000 2.788 539 G HA2 0.467 4.423 3.960 -0.005 0.000 0.293 539 G HA3 0.467 4.423 3.960 -0.005 0.000 0.293 539 G C -0.897 174.090 174.900 0.145 0.000 1.392 539 G CA -0.492 44.653 45.100 0.075 0.000 0.810 539 G HN 0.572 nan 8.290 nan 0.000 0.508 540 T N -1.908 112.708 114.554 0.103 0.000 2.927 540 T HA 0.758 5.105 4.350 -0.005 0.000 0.281 540 T C -0.120 174.659 174.700 0.132 0.000 0.998 540 T CA -0.653 61.541 62.100 0.157 0.000 1.019 540 T CB 1.871 70.781 68.868 0.070 0.000 1.061 540 T HN 0.501 nan 8.240 nan 0.000 0.518 541 R N 0.207 120.791 120.500 0.140 0.000 2.686 541 R HA 0.301 4.638 4.340 -0.005 0.000 0.286 541 R C 1.058 177.357 176.300 -0.002 0.000 0.969 541 R CA -0.697 55.398 56.100 -0.009 0.000 0.898 541 R CB 2.011 32.142 30.300 -0.282 0.000 1.183 541 R HN 0.985 nan 8.270 nan 0.000 0.456 542 E N 1.538 121.729 120.200 -0.016 0.000 2.072 542 E HA -0.203 4.144 4.350 -0.005 0.000 0.191 542 E C 0.707 177.289 176.600 -0.030 0.000 0.985 542 E CA 1.798 58.187 56.400 -0.018 0.000 0.801 542 E CB 0.278 29.970 29.700 -0.014 0.000 0.750 542 E HN 0.623 nan 8.360 nan 0.000 0.452 543 D N -0.189 120.175 120.400 -0.060 0.000 2.355 543 D HA -0.030 4.606 4.640 -0.005 0.000 0.218 543 D C -0.099 176.136 176.300 -0.108 0.000 1.004 543 D CA 0.422 54.372 54.000 -0.084 0.000 0.880 543 D CB 0.056 40.793 40.800 -0.104 0.000 0.911 543 D HN 0.182 nan 8.370 nan 0.000 0.528 544 E N 0.050 120.192 120.200 -0.098 0.000 2.356 544 E HA 0.243 4.590 4.350 -0.005 0.000 0.275 544 E C -0.747 175.936 176.600 0.138 0.000 0.904 544 E CA -0.833 55.547 56.400 -0.033 0.000 0.757 544 E CB 2.017 31.617 29.700 -0.167 0.000 1.232 544 E HN -0.027 nan 8.360 nan 0.000 0.442 545 E N 0.820 121.090 120.200 0.117 0.000 2.343 545 E HA 0.534 4.881 4.350 -0.005 0.000 0.269 545 E C 0.342 176.989 176.600 0.079 0.000 1.047 545 E CA 0.039 56.494 56.400 0.091 0.000 0.874 545 E CB 1.550 31.266 29.700 0.026 0.000 1.033 545 E HN 0.780 nan 8.360 nan 0.000 0.409 546 G N 0.969 109.766 108.800 -0.005 0.000 2.462 546 G HA2 -0.112 3.845 3.960 -0.005 0.000 0.685 546 G HA3 -0.112 3.845 3.960 -0.005 0.000 0.685 546 G C -1.230 173.498 174.900 -0.287 0.000 1.295 546 G CA -0.988 43.984 45.100 -0.214 0.000 0.941 546 G HN 0.330 nan 8.290 nan 0.000 0.554 547 L N -0.060 120.913 121.223 -0.416 0.000 2.307 547 L HA 0.764 5.100 4.340 -0.005 0.000 0.284 547 L C -0.346 176.237 176.870 -0.479 0.000 1.023 547 L CA -0.713 53.974 54.840 -0.256 0.000 0.810 547 L CB 1.286 43.277 42.059 -0.113 0.000 1.231 547 L HN 0.450 nan 8.230 nan 0.000 0.423 548 F N 2.715 122.695 119.950 0.049 0.000 2.575 548 F HA 0.585 5.109 4.527 -0.005 0.000 0.330 548 F C -2.019 173.827 175.800 0.077 0.000 1.056 548 F CA -2.411 55.638 58.000 0.081 0.000 0.964 548 F CB 1.143 40.216 39.000 0.121 0.000 1.258 548 F HN 0.270 nan 8.300 nan 0.000 0.484 549 P HA 0.210 nan 4.420 nan 0.000 0.272 549 P C -0.753 176.644 177.300 0.162 0.000 1.223 549 P CA 0.197 63.397 63.100 0.166 0.000 0.784 549 P CB 1.173 32.946 31.700 0.121 0.000 0.923 550 I N 0.993 121.638 120.570 0.125 0.000 2.389 550 I HA 0.547 4.714 4.170 -0.005 0.000 0.288 550 I C 0.768 176.934 176.117 0.083 0.000 0.999 550 I CA -0.076 61.311 61.300 0.145 0.000 1.129 550 I CB 1.114 39.198 38.000 0.140 0.000 1.288 550 I HN 0.663 nan 8.210 nan 0.000 0.444 551 G N 3.829 112.626 108.800 -0.006 0.000 2.707 551 G HA2 -0.111 3.846 3.960 -0.005 0.000 0.686 551 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.686 551 G C 0.555 175.308 174.900 -0.244 0.000 1.315 551 G CA -0.355 44.658 45.100 -0.144 0.000 0.832 551 G HN 0.914 nan 8.290 nan 0.000 0.573 552 G N -1.037 107.594 108.800 -0.282 0.000 2.402 552 G HA2 0.135 4.092 3.960 -0.005 0.000 0.216 552 G HA3 0.135 4.092 3.960 -0.005 0.000 0.216 552 G C 1.961 176.696 174.900 -0.274 0.000 1.162 552 G CA 2.293 47.225 45.100 -0.279 0.000 0.777 552 G HN 1.409 nan 8.290 nan 0.000 0.539 553 V N 2.129 121.848 119.914 -0.324 0.000 2.255 553 V HA -0.143 3.974 4.120 -0.005 0.000 0.247 553 V C 0.437 176.270 176.094 -0.436 0.000 1.051 553 V CA 2.418 64.446 62.300 -0.453 0.000 1.018 553 V CB -1.220 30.171 31.823 -0.720 0.000 0.641 553 V HN 0.289 nan 8.190 nan 0.000 0.445 554 P HA -0.157 nan 4.420 nan 0.000 0.215 554 P C 1.904 179.127 177.300 -0.129 0.000 1.153 554 P CA 1.191 64.170 63.100 -0.203 0.000 0.853 554 P CB -0.085 31.572 31.700 -0.071 0.000 0.788 555 L N -0.220 120.920 121.223 -0.139 0.000 2.017 555 L HA -0.055 4.282 4.340 -0.005 0.000 0.208 555 L C 2.265 179.033 176.870 -0.171 0.000 1.073 555 L CA 2.461 57.226 54.840 -0.126 0.000 0.745 555 L CB -1.660 40.319 42.059 -0.134 0.000 0.894 555 L HN -0.043 nan 8.230 nan 0.000 0.432 556 G N -0.315 108.372 108.800 -0.189 0.000 2.418 556 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.217 556 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.217 556 G C 1.650 176.462 174.900 -0.147 0.000 1.158 556 G CA 1.152 46.144 45.100 -0.180 0.000 0.771 556 G HN 0.480 nan 8.290 nan 0.000 0.545 557 I N 0.544 121.034 120.570 -0.133 0.000 2.163 557 I HA -0.204 3.963 4.170 -0.005 0.000 0.243 557 I C 2.807 178.906 176.117 -0.029 0.000 1.085 557 I CA 1.460 62.726 61.300 -0.056 0.000 1.347 557 I CB -0.309 37.680 38.000 -0.019 0.000 1.044 557 I HN 0.264 nan 8.210 nan 0.000 0.408 558 E N 0.790 120.966 120.200 -0.040 0.000 2.085 558 E HA -0.228 4.119 4.350 -0.005 0.000 0.194 558 E C 2.305 178.859 176.600 -0.077 0.000 0.994 558 E CA 1.407 57.802 56.400 -0.009 0.000 0.801 558 E CB -0.132 29.591 29.700 0.037 0.000 0.743 558 E HN 0.517 nan 8.360 nan 0.000 0.453 559 I N 1.004 121.428 120.570 -0.243 0.000 2.226 559 I HA -0.274 3.893 4.170 -0.005 0.000 0.245 559 I C 2.580 178.646 176.117 -0.085 0.000 1.100 559 I CA 0.976 62.086 61.300 -0.316 0.000 1.374 559 I CB -0.331 37.467 38.000 -0.338 0.000 1.057 559 I HN 0.080 nan 8.210 nan 0.000 0.413 560 A N 0.452 123.242 122.820 -0.049 0.000 1.877 560 A HA -0.230 4.087 4.320 -0.005 0.000 0.216 560 A C 1.989 179.625 177.584 0.087 0.000 1.186 560 A CA 1.986 54.032 52.037 0.014 0.000 0.620 560 A CB -0.579 18.411 19.000 -0.016 0.000 0.822 560 A HN 0.328 nan 8.150 nan 0.000 0.443 561 D N -0.671 119.772 120.400 0.072 0.000 2.097 561 D HA -0.166 4.471 4.640 -0.005 0.000 0.195 561 D C 1.914 178.313 176.300 0.166 0.000 0.989 561 D CA 1.541 55.612 54.000 0.119 0.000 0.827 561 D CB -0.352 40.503 40.800 0.092 0.000 0.966 561 D HN 0.737 nan 8.370 nan 0.000 0.456 562 E N 0.412 120.691 120.200 0.133 0.000 2.031 562 E HA -0.160 4.187 4.350 -0.005 0.000 0.193 562 E C 2.351 179.041 176.600 0.151 0.000 0.994 562 E CA 0.775 57.263 56.400 0.146 0.000 0.800 562 E CB -0.127 29.680 29.700 0.179 0.000 0.752 562 E HN 0.218 nan 8.360 nan 0.000 0.447 563 I N 0.271 120.930 120.570 0.149 0.000 2.163 563 I HA -0.258 3.909 4.170 -0.005 0.000 0.243 563 I C 2.374 178.583 176.117 0.153 0.000 1.085 563 I CA 1.189 62.580 61.300 0.151 0.000 1.347 563 I CB -0.373 37.711 38.000 0.140 0.000 1.044 563 I HN 0.202 nan 8.210 nan 0.000 0.408 564 F N 2.205 122.183 119.950 0.048 0.000 2.102 564 F HA -0.246 4.280 4.527 -0.003 0.000 0.298 564 F C 2.367 178.194 175.800 0.045 0.000 1.105 564 F CA 1.742 59.768 58.000 0.043 0.000 1.239 564 F CB -0.347 38.681 39.000 0.047 0.000 0.991 564 F HN 0.071 nan 8.300 nan 0.000 0.474 565 N N 0.595 119.443 118.700 0.248 0.000 2.205 565 N HA -0.196 4.540 4.740 -0.005 0.000 0.186 565 N C 1.065 176.591 175.510 0.028 0.000 1.015 565 N CA 1.348 54.483 53.050 0.141 0.000 0.862 565 N CB -0.698 37.880 38.487 0.152 0.000 0.986 565 N HN 0.428 nan 8.380 nan 0.000 0.429 566 N N 0.223 118.942 118.700 0.032 0.000 2.383 566 N HA 0.043 4.780 4.740 -0.005 0.000 0.192 566 N C 0.515 176.013 175.510 -0.021 0.000 1.141 566 N CA 0.432 53.492 53.050 0.016 0.000 0.851 566 N CB 0.415 38.932 38.487 0.049 0.000 0.976 566 N HN 0.230 nan 8.380 nan 0.000 0.465 567 G N 1.676 110.413 108.800 -0.106 0.000 2.249 567 G HA2 -0.286 3.671 3.960 -0.005 0.000 0.273 567 G HA3 -0.286 3.671 3.960 -0.005 0.000 0.273 567 G C 0.178 175.042 174.900 -0.059 0.000 1.036 567 G CA 0.424 45.433 45.100 -0.152 0.000 0.824 567 G HN 0.427 nan 8.290 nan 0.000 0.504 568 L N -2.063 119.161 121.223 0.001 0.000 3.523 568 L HA -0.119 4.218 4.340 -0.005 0.000 0.668 568 L C 0.327 177.337 176.870 0.233 0.000 1.211 568 L CA 1.814 56.729 54.840 0.125 0.000 1.096 568 L CB -0.954 41.124 42.059 0.032 0.000 1.617 568 L HN 0.836 nan 8.230 nan 0.000 0.873 569 K N 3.899 124.398 120.400 0.165 0.000 2.316 569 K HA 0.750 5.067 4.320 -0.005 0.000 0.251 569 K C -2.544 174.024 176.600 -0.053 0.000 0.934 569 K CA -2.157 54.123 56.287 -0.011 0.000 0.802 569 K CB 1.961 34.450 32.500 -0.018 0.000 1.171 569 K HN 0.094 nan 8.250 nan 0.000 0.426 570 P HA -0.024 nan 4.420 nan 0.000 0.267 570 P C -0.913 176.385 177.300 -0.003 0.000 1.200 570 P CA 0.038 62.962 63.100 -0.293 0.000 0.772 570 P CB 0.439 31.867 31.700 -0.454 0.000 0.855 571 T N 5.579 120.219 114.554 0.144 0.000 2.853 571 T HA 0.133 4.480 4.350 -0.005 0.000 0.298 571 T C -2.005 172.725 174.700 0.050 0.000 0.978 571 T CA -0.744 61.435 62.100 0.131 0.000 1.152 571 T CB -0.523 68.460 68.868 0.192 0.000 0.914 571 T HN 0.348 nan 8.240 nan 0.000 0.539 572 P HA 0.066 nan 4.420 nan 0.000 0.262 572 P C -1.795 175.487 177.300 -0.030 0.000 1.199 572 P CA -1.391 61.675 63.100 -0.056 0.000 0.763 572 P CB 0.413 32.089 31.700 -0.039 0.000 0.790 573 P HA -0.212 nan 4.420 nan 0.000 0.218 573 P C 0.962 178.264 177.300 0.003 0.000 1.146 573 P CA 1.718 64.813 63.100 -0.009 0.000 0.820 573 P CB -0.002 31.655 31.700 -0.072 0.000 0.778 574 E N 0.664 120.852 120.200 -0.020 0.000 2.268 574 E HA -0.113 4.234 4.350 -0.005 0.000 0.195 574 E C 2.024 178.634 176.600 0.016 0.000 0.995 574 E CA 0.908 57.305 56.400 -0.005 0.000 0.836 574 E CB -1.059 28.631 29.700 -0.016 0.000 0.763 574 E HN 0.455 nan 8.360 nan 0.000 0.491 575 I N -2.223 118.364 120.570 0.029 0.000 3.976 575 I HA 0.155 4.322 4.170 -0.005 0.000 0.337 575 I C 0.119 176.274 176.117 0.064 0.000 1.359 575 I CA -0.583 60.747 61.300 0.050 0.000 1.098 575 I CB 0.251 38.287 38.000 0.061 0.000 1.027 575 I HN -0.168 nan 8.210 nan 0.000 0.394 576 Q N 2.756 122.590 119.800 0.056 0.000 2.354 576 Q HA 0.411 4.748 4.340 -0.005 0.000 0.244 576 Q C -1.900 174.121 176.000 0.034 0.000 0.969 576 Q CA -1.250 54.586 55.803 0.054 0.000 0.885 576 Q CB 0.514 29.288 28.738 0.060 0.000 1.241 576 Q HN 0.208 nan 8.270 nan 0.000 0.461 577 P HA 0.000 nan 4.420 nan 0.000 0.216 577 P CA 0.000 63.103 63.100 0.006 0.000 0.800 577 P CB 0.000 31.686 31.700 -0.022 0.000 0.726