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 1d1x_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.336 176.600 -0.441 0.000 0.988 69 K CA 0.000 56.049 56.287 -0.397 0.000 0.838 69 K CB 0.000 32.410 32.500 -0.151 0.000 1.064 70 F N 3.344 123.308 119.950 0.024 0.000 2.405 70 F HA 0.362 4.890 4.527 0.002 0.000 0.355 70 F C -1.600 174.283 175.800 0.139 0.000 1.121 70 F CA -1.690 56.346 58.000 0.059 0.000 1.112 70 F CB 1.138 40.176 39.000 0.063 0.000 1.126 70 F HN 0.245 nan 8.300 nan 0.000 0.481 71 P HA 0.053 nan 4.420 nan 0.000 0.271 71 P C -0.799 176.563 177.300 0.104 0.000 1.216 71 P CA -0.453 62.739 63.100 0.153 0.000 0.771 71 P CB 1.060 32.813 31.700 0.089 0.000 0.864 72 R N 2.658 123.148 120.500 -0.017 0.000 2.265 72 R HA 0.388 4.729 4.340 0.002 0.000 0.314 72 R C -1.027 175.144 176.300 -0.215 0.000 1.053 72 R CA -0.492 55.384 56.100 -0.373 0.000 0.931 72 R CB 0.437 30.567 30.300 -0.283 0.000 1.024 72 R HN 0.262 nan 8.270 nan 0.000 0.457 73 V N 5.338 125.099 119.914 -0.255 0.000 2.409 73 V HA 0.344 4.465 4.120 0.002 0.000 0.291 73 V C -0.233 175.780 176.094 -0.136 0.000 1.020 73 V CA -0.708 61.529 62.300 -0.106 0.000 0.848 73 V CB 1.396 33.198 31.823 -0.036 0.000 0.990 73 V HN 0.745 nan 8.190 nan 0.000 0.430 74 K N 3.863 124.208 120.400 -0.091 0.000 2.203 74 K HA 0.435 4.756 4.320 0.002 0.000 0.251 74 K C -0.642 175.893 176.600 -0.108 0.000 0.944 74 K CA -0.714 55.453 56.287 -0.200 0.000 0.829 74 K CB 1.508 33.746 32.500 -0.437 0.000 1.125 74 K HN 0.704 nan 8.250 nan 0.000 0.430 75 N N 4.090 122.706 118.700 -0.140 0.000 2.469 75 N HA 0.099 4.840 4.740 0.002 0.000 0.253 75 N C -0.283 175.192 175.510 -0.059 0.000 0.970 75 N CA -0.374 52.697 53.050 0.034 0.000 0.940 75 N CB 0.472 38.994 38.487 0.059 0.000 1.128 75 N HN 0.667 nan 8.380 nan 0.000 0.503 76 W N 2.093 123.470 121.300 0.129 0.000 2.699 76 W HA 0.080 4.741 4.660 0.002 0.000 0.249 76 W C 2.053 178.622 176.519 0.083 0.000 1.280 76 W CA 0.008 57.422 57.345 0.115 0.000 1.345 76 W CB 0.225 29.780 29.460 0.158 0.000 1.128 76 W HN 0.661 nan 8.180 nan 0.000 0.642 77 E N 0.360 120.696 120.200 0.228 0.000 2.086 77 E HA -0.109 4.242 4.350 0.002 0.000 0.190 77 E C 1.755 178.375 176.600 0.033 0.000 0.975 77 E CA 1.032 57.466 56.400 0.057 0.000 0.813 77 E CB -0.158 29.535 29.700 -0.012 0.000 0.768 77 E HN 0.267 nan 8.360 nan 0.000 0.457 78 L N -1.377 119.864 121.223 0.030 0.000 2.408 78 L HA 0.340 4.681 4.340 0.002 0.000 0.215 78 L C 1.699 178.547 176.870 -0.036 0.000 1.081 78 L CA 0.528 55.367 54.840 -0.001 0.000 0.840 78 L CB 0.484 42.546 42.059 0.005 0.000 1.002 78 L HN 0.421 nan 8.230 nan 0.000 0.468 79 G N 0.323 109.074 108.800 -0.082 0.000 2.176 79 G HA2 -0.278 3.683 3.960 0.002 0.000 0.232 79 G HA3 -0.278 3.683 3.960 0.002 0.000 0.232 79 G C 0.408 175.215 174.900 -0.154 0.000 0.986 79 G CA 0.243 45.254 45.100 -0.150 0.000 0.643 79 G HN 0.416 nan 8.290 nan 0.000 0.522 80 S N -0.110 115.525 115.700 -0.109 0.000 2.579 80 S HA 0.707 5.178 4.470 0.002 0.000 0.275 80 S C 0.202 174.722 174.600 -0.133 0.000 1.345 80 S CA -0.098 58.046 58.200 -0.093 0.000 1.031 80 S CB 1.837 65.006 63.200 -0.052 0.000 0.892 80 S HN 0.651 nan 8.310 nan 0.000 0.529 81 I N 1.387 121.884 120.570 -0.123 0.000 2.730 81 I HA 0.565 4.736 4.170 0.002 0.000 0.298 81 I C -0.064 175.963 176.117 -0.150 0.000 1.089 81 I CA -0.552 60.643 61.300 -0.174 0.000 1.041 81 I CB 2.730 40.608 38.000 -0.203 0.000 1.235 81 I HN 1.012 nan 8.210 nan 0.000 0.423 82 T N 0.429 114.849 114.554 -0.224 0.000 2.812 82 T HA 0.609 4.960 4.350 0.002 0.000 0.294 82 T C -1.483 173.022 174.700 -0.325 0.000 1.159 82 T CA -0.781 61.230 62.100 -0.147 0.000 1.008 82 T CB 1.709 70.540 68.868 -0.061 0.000 1.289 82 T HN 0.301 nan 8.240 nan 0.000 0.514 83 Y N 0.294 120.583 120.300 -0.018 0.000 2.338 83 Y HA 0.445 4.996 4.550 0.002 0.000 0.333 83 Y C -0.128 175.762 175.900 -0.016 0.000 0.968 83 Y CA -0.921 57.178 58.100 -0.002 0.000 1.123 83 Y CB 1.719 40.166 38.460 -0.020 0.000 1.165 83 Y HN 0.731 nan 8.280 nan 0.000 0.452 84 D N 2.217 122.701 120.400 0.140 0.000 2.325 84 D HA 0.075 4.716 4.640 0.002 0.000 0.251 84 D C 0.688 177.055 176.300 0.112 0.000 1.196 84 D CA 0.273 54.335 54.000 0.103 0.000 0.866 84 D CB 1.282 42.152 40.800 0.116 0.000 1.101 84 D HN 0.794 nan 8.370 nan 0.000 0.476 85 T N 1.075 115.621 114.554 -0.013 0.000 2.985 85 T HA -0.034 4.317 4.350 0.002 0.000 0.254 85 T C 1.806 176.504 174.700 -0.004 0.000 1.021 85 T CA -0.303 61.727 62.100 -0.116 0.000 0.957 85 T CB 0.140 68.710 68.868 -0.497 0.000 1.047 85 T HN 0.241 nan 8.240 nan 0.000 0.511 86 L N 2.673 123.894 121.223 -0.003 0.000 2.083 86 L HA 0.030 4.371 4.340 0.002 0.000 0.209 86 L C 2.689 179.505 176.870 -0.091 0.000 1.083 86 L CA 1.405 56.264 54.840 0.031 0.000 0.752 86 L CB -1.009 41.140 42.059 0.150 0.000 0.899 86 L HN 0.670 nan 8.230 nan 0.000 0.433 87 C N -1.360 117.656 119.300 -0.475 0.000 2.401 87 C HA -0.057 4.404 4.460 0.002 0.000 0.286 87 C C 2.772 177.552 174.990 -0.351 0.000 1.332 87 C CA 0.262 58.648 59.018 -1.053 0.000 1.795 87 C CB -2.298 24.755 27.740 -1.144 0.000 1.922 87 C HN 0.579 nan 8.230 nan 0.000 0.520 88 A N 0.082 122.849 122.820 -0.088 0.000 2.067 88 A HA -0.081 4.240 4.320 0.002 0.000 0.219 88 A C 2.246 179.838 177.584 0.012 0.000 1.158 88 A CA 1.403 53.449 52.037 0.015 0.000 0.661 88 A CB -0.415 18.709 19.000 0.207 0.000 0.801 88 A HN 0.714 nan 8.150 nan 0.000 0.452 89 Q N 0.086 119.896 119.800 0.016 0.000 2.444 89 Q HA 0.080 4.421 4.340 0.002 0.000 0.206 89 Q C 0.738 176.776 176.000 0.063 0.000 0.948 89 Q CA 0.297 56.129 55.803 0.049 0.000 0.946 89 Q CB -0.394 28.384 28.738 0.067 0.000 1.027 89 Q HN 0.502 nan 8.270 nan 0.000 0.513 90 S N 1.119 116.851 115.700 0.054 0.000 2.533 90 S HA 0.021 4.492 4.470 0.002 0.000 0.282 90 S C 0.820 175.454 174.600 0.056 0.000 1.304 90 S CA 0.030 58.286 58.200 0.094 0.000 1.063 90 S CB 0.479 63.749 63.200 0.116 0.000 0.881 90 S HN 0.108 nan 8.310 nan 0.000 0.493 91 Q N 2.211 122.047 119.800 0.060 0.000 2.189 91 Q HA 0.229 4.570 4.340 0.002 0.000 0.223 91 Q C -0.259 175.764 176.000 0.038 0.000 0.828 91 Q CA 0.054 55.883 55.803 0.043 0.000 0.967 91 Q CB 0.739 29.504 28.738 0.045 0.000 1.139 91 Q HN 0.781 nan 8.270 nan 0.000 0.497 92 Q N 0.995 120.822 119.800 0.045 0.000 2.333 92 Q HA 0.262 4.603 4.340 0.002 0.000 0.267 92 Q C -1.325 174.699 176.000 0.039 0.000 1.012 92 Q CA -0.350 55.474 55.803 0.035 0.000 0.824 92 Q CB 1.325 30.079 28.738 0.028 0.000 1.290 92 Q HN -0.175 nan 8.270 nan 0.000 0.449 93 D N 2.233 122.651 120.400 0.029 0.000 2.345 93 D HA 0.394 5.035 4.640 0.002 0.000 0.247 93 D C 0.036 176.355 176.300 0.032 0.000 1.108 93 D CA 0.301 54.319 54.000 0.030 0.000 0.894 93 D CB 1.357 42.169 40.800 0.020 0.000 1.203 93 D HN 0.684 nan 8.370 nan 0.000 0.430 94 G N 1.193 110.016 108.800 0.038 0.000 2.532 94 G HA2 0.343 4.304 3.960 0.002 0.000 0.291 94 G HA3 0.343 4.304 3.960 0.002 0.000 0.291 94 G C -1.449 173.469 174.900 0.031 0.000 1.349 94 G CA -0.662 44.460 45.100 0.037 0.000 1.038 94 G HN 0.344 nan 8.290 nan 0.000 0.518 95 P HA 0.121 nan 4.420 nan 0.000 0.240 95 P C 0.345 177.660 177.300 0.025 0.000 1.190 95 P CA 0.049 63.166 63.100 0.028 0.000 0.781 95 P CB 0.113 31.832 31.700 0.032 0.000 0.931 96 C N 0.874 120.191 119.300 0.028 0.000 2.520 96 C HA 0.601 5.062 4.460 0.002 0.000 0.376 96 C C 1.016 176.016 174.990 0.017 0.000 1.268 96 C CA 0.075 59.107 59.018 0.023 0.000 2.414 96 C CB 0.767 28.523 27.740 0.027 0.000 2.521 96 C HN 0.382 nan 8.230 nan 0.000 0.618 97 T N -1.762 112.799 114.554 0.012 0.000 2.843 97 T HA 0.409 4.760 4.350 0.002 0.000 0.302 97 T C -2.509 172.194 174.700 0.004 0.000 1.232 97 T CA -1.102 61.002 62.100 0.007 0.000 1.009 97 T CB 1.375 70.246 68.868 0.006 0.000 1.254 97 T HN 0.259 nan 8.240 nan 0.000 0.504 98 P HA -0.001 nan 4.420 nan 0.000 0.219 98 P C 1.477 178.777 177.300 -0.001 0.000 1.146 98 P CA 0.672 63.772 63.100 -0.001 0.000 0.808 98 P CB 0.141 31.838 31.700 -0.004 0.000 0.779 99 R N -0.236 120.264 120.500 -0.000 0.000 2.090 99 R HA -0.039 4.302 4.340 0.002 0.000 0.228 99 R C 0.642 176.942 176.300 0.000 0.000 1.110 99 R CA 0.843 56.943 56.100 -0.000 0.000 0.973 99 R CB 0.178 30.478 30.300 0.000 0.000 0.869 99 R HN 0.082 nan 8.270 nan 0.000 0.440 100 R N -0.329 120.172 120.500 0.002 0.000 2.629 100 R HA 0.154 4.495 4.340 0.002 0.000 0.266 100 R C -1.818 174.486 176.300 0.006 0.000 1.051 100 R CA -0.711 55.390 56.100 0.003 0.000 0.895 100 R CB 0.239 30.542 30.300 0.004 0.000 1.246 100 R HN 0.085 nan 8.270 nan 0.000 0.459 101 C N 3.771 123.074 119.300 0.006 0.000 2.330 101 C HA 0.592 5.053 4.460 0.002 0.000 0.344 101 C C 0.751 175.751 174.990 0.017 0.000 1.273 101 C CA -0.669 58.355 59.018 0.011 0.000 1.879 101 C CB -0.601 27.142 27.740 0.005 0.000 2.376 101 C HN 0.792 nan 8.230 nan 0.000 0.534 102 L N 5.520 126.759 121.223 0.026 0.000 3.066 102 L HA 0.284 4.625 4.340 0.002 0.000 0.265 102 L C 2.068 178.966 176.870 0.047 0.000 1.232 102 L CA 0.272 55.132 54.840 0.033 0.000 1.031 102 L CB -0.064 42.013 42.059 0.030 0.000 1.379 102 L HN 1.035 nan 8.230 nan 0.000 0.563 103 G N 0.400 109.230 108.800 0.049 0.000 2.479 103 G HA2 -0.269 3.693 3.960 0.002 0.000 0.220 103 G HA3 -0.269 3.693 3.960 0.002 0.000 0.220 103 G C 1.581 176.541 174.900 0.100 0.000 1.115 103 G CA 1.189 46.330 45.100 0.068 0.000 0.757 103 G HN 0.509 nan 8.290 nan 0.000 0.560 104 S N -0.650 115.108 115.700 0.097 0.000 2.558 104 S HA 0.305 4.776 4.470 0.002 0.000 0.217 104 S C 0.694 175.376 174.600 0.138 0.000 0.975 104 S CA -0.427 57.852 58.200 0.131 0.000 0.912 104 S CB -0.020 63.240 63.200 0.100 0.000 0.776 104 S HN -0.009 nan 8.310 nan 0.000 0.526 105 L N 2.077 123.363 121.223 0.106 0.000 2.380 105 L HA 0.263 4.604 4.340 0.002 0.000 0.273 105 L C 1.401 178.350 176.870 0.131 0.000 1.138 105 L CA 0.162 55.061 54.840 0.098 0.000 0.832 105 L CB 0.855 42.952 42.059 0.063 0.000 1.124 105 L HN -0.014 nan 8.230 nan 0.000 0.454 106 V N 3.163 123.163 119.914 0.143 0.000 2.323 106 V HA -0.049 4.072 4.120 0.002 0.000 0.244 106 V C 0.801 176.941 176.094 0.076 0.000 1.041 106 V CA 1.091 63.499 62.300 0.179 0.000 1.025 106 V CB -0.300 31.633 31.823 0.182 0.000 0.656 106 V HN 0.470 nan 8.190 nan 0.000 0.451 107 L N -0.305 120.927 121.223 0.015 0.000 2.322 107 L HA 0.496 4.837 4.340 0.002 0.000 0.269 107 L C -2.485 174.406 176.870 0.036 0.000 1.012 107 L CA -1.813 53.016 54.840 -0.017 0.000 0.815 107 L CB 1.168 43.162 42.059 -0.109 0.000 1.295 107 L HN 0.069 nan 8.230 nan 0.000 0.438 108 P HA 0.280 nan 4.420 nan 0.000 0.281 108 P C -0.155 177.160 177.300 0.025 0.000 1.249 108 P CA -0.699 62.432 63.100 0.051 0.000 0.810 108 P CB 1.021 32.764 31.700 0.071 0.000 1.008 109 R N 1.920 122.431 120.500 0.019 0.000 2.115 109 R HA -0.018 4.323 4.340 0.002 0.000 0.230 109 R C 0.683 176.986 176.300 0.005 0.000 1.111 109 R CA 1.858 57.963 56.100 0.008 0.000 0.976 109 R CB -0.011 30.294 30.300 0.008 0.000 0.870 109 R HN 0.437 nan 8.270 nan 0.000 0.445 110 K N -2.339 118.067 120.400 0.011 0.000 2.570 110 K HA 0.113 4.434 4.320 0.002 0.000 0.201 110 K C 0.859 177.468 176.600 0.014 0.000 1.730 110 K CA 0.058 56.350 56.287 0.007 0.000 1.034 110 K CB 0.239 32.740 32.500 0.003 0.000 1.471 110 K HN -0.114 nan 8.250 nan 0.000 0.608 111 L N 2.473 123.710 121.223 0.023 0.000 2.211 111 L HA -0.248 4.094 4.340 0.002 0.000 0.216 111 L C 2.060 178.946 176.870 0.027 0.000 1.092 111 L CA 1.727 56.581 54.840 0.025 0.000 0.767 111 L CB -0.938 41.140 42.059 0.031 0.000 0.894 111 L HN 0.260 nan 8.230 nan 0.000 0.437 112 Q N 0.133 119.956 119.800 0.039 0.000 1.163 112 Q HA -0.259 4.082 4.340 0.002 0.000 0.753 112 Q C -0.166 175.849 176.000 0.024 0.000 0.927 112 Q CA 2.581 58.411 55.803 0.046 0.000 0.842 112 Q CB -0.196 28.557 28.738 0.026 0.000 0.916 112 Q HN 0.396 nan 8.270 nan 0.000 0.304 113 T N 0.126 114.686 114.554 0.009 0.000 3.999 113 T HA 0.198 4.550 4.350 0.002 0.000 0.257 113 T C -1.196 173.496 174.700 -0.014 0.000 0.606 113 T CA -0.679 61.419 62.100 -0.004 0.000 0.973 113 T CB 0.496 69.364 68.868 -0.001 0.000 1.182 113 T HN 0.274 nan 8.240 nan 0.000 0.494 114 R N 1.802 122.292 120.500 -0.016 0.000 2.905 114 R HA 0.239 4.580 4.340 0.002 0.000 0.273 114 R C -1.997 174.289 176.300 -0.023 0.000 1.033 114 R CA -1.047 55.041 56.100 -0.020 0.000 1.182 114 R CB -0.229 30.061 30.300 -0.016 0.000 1.097 114 R HN 0.311 nan 8.270 nan 0.000 0.504 115 P HA -0.078 nan 4.420 nan 0.000 0.272 115 P C -0.195 177.093 177.300 -0.020 0.000 1.239 115 P CA 0.420 63.507 63.100 -0.022 0.000 0.807 115 P CB 0.431 32.120 31.700 -0.018 0.000 0.951 116 S N 0.239 115.928 115.700 -0.019 0.000 2.617 116 S HA 0.264 4.735 4.470 0.002 0.000 0.237 116 S C -1.622 172.970 174.600 -0.014 0.000 1.142 116 S CA -1.060 57.127 58.200 -0.022 0.000 1.167 116 S CB -0.351 62.829 63.200 -0.032 0.000 1.068 116 S HN 0.289 nan 8.310 nan 0.000 0.470 117 P HA 0.212 nan 4.420 nan 0.000 0.227 117 P C 0.819 178.117 177.300 -0.003 0.000 1.161 117 P CA 0.532 63.630 63.100 -0.004 0.000 0.788 117 P CB -0.012 31.686 31.700 -0.003 0.000 0.822 118 G N 1.118 109.915 108.800 -0.005 0.000 2.473 118 G HA2 0.539 4.500 3.960 0.002 0.000 0.321 118 G HA3 0.539 4.500 3.960 0.002 0.000 0.321 118 G C -2.902 171.994 174.900 -0.006 0.000 1.200 118 G CA -1.644 43.455 45.100 -0.003 0.000 0.963 118 G HN -0.109 nan 8.290 nan 0.000 0.483 119 P HA 0.225 nan 4.420 nan 0.000 0.271 119 P C -2.389 174.909 177.300 -0.004 0.000 1.216 119 P CA -0.884 62.214 63.100 -0.004 0.000 0.771 119 P CB 0.891 32.593 31.700 0.004 0.000 0.864 120 P HA 0.221 nan 4.420 nan 0.000 0.271 120 P C -2.469 174.835 177.300 0.007 0.000 1.216 120 P CA -1.531 61.566 63.100 -0.004 0.000 0.771 120 P CB -0.905 30.789 31.700 -0.011 0.000 0.864 121 P HA -0.120 nan 4.420 nan 0.000 0.252 121 P C 1.122 178.432 177.300 0.017 0.000 1.147 121 P CA 0.580 63.687 63.100 0.011 0.000 0.779 121 P CB -0.111 31.595 31.700 0.009 0.000 0.733 122 A N 4.654 127.485 122.820 0.018 0.000 1.940 122 A HA -0.314 4.007 4.320 0.002 0.000 0.221 122 A C 1.989 179.584 177.584 0.019 0.000 1.190 122 A CA 2.004 54.054 52.037 0.022 0.000 0.647 122 A CB -0.803 18.208 19.000 0.019 0.000 0.821 122 A HN 0.580 nan 8.150 nan 0.000 0.457 123 E N -1.211 118.998 120.200 0.015 0.000 2.017 123 E HA -0.271 4.080 4.350 0.002 0.000 0.193 123 E C 2.328 178.938 176.600 0.017 0.000 0.997 123 E CA 1.474 57.882 56.400 0.013 0.000 0.804 123 E CB -0.218 29.488 29.700 0.010 0.000 0.757 123 E HN 0.817 nan 8.360 nan 0.000 0.448 124 Q N 0.686 120.498 119.800 0.019 0.000 2.014 124 Q HA -0.235 4.107 4.340 0.002 0.000 0.207 124 Q C 2.321 178.342 176.000 0.035 0.000 0.993 124 Q CA 1.631 57.448 55.803 0.024 0.000 0.850 124 Q CB -0.242 28.508 28.738 0.019 0.000 0.916 124 Q HN 0.210 nan 8.270 nan 0.000 0.417 125 L N 0.401 121.648 121.223 0.040 0.000 1.997 125 L HA -0.210 4.131 4.340 0.002 0.000 0.216 125 L C 2.204 179.115 176.870 0.068 0.000 1.074 125 L CA 1.854 56.735 54.840 0.068 0.000 0.763 125 L CB -0.969 41.136 42.059 0.078 0.000 0.890 125 L HN 0.488 nan 8.230 nan 0.000 0.434 126 L N -1.028 120.214 121.223 0.033 0.000 2.079 126 L HA -0.187 4.154 4.340 0.002 0.000 0.210 126 L C 2.697 179.570 176.870 0.006 0.000 1.081 126 L CA 2.104 56.940 54.840 -0.007 0.000 0.752 126 L CB -0.982 41.071 42.059 -0.011 0.000 0.896 126 L HN 0.528 nan 8.230 nan 0.000 0.433 127 S N -1.259 114.456 115.700 0.026 0.000 2.355 127 S HA -0.227 4.244 4.470 0.002 0.000 0.222 127 S C 1.935 176.572 174.600 0.062 0.000 1.031 127 S CA 1.511 59.733 58.200 0.036 0.000 0.993 127 S CB -0.181 63.038 63.200 0.033 0.000 0.859 127 S HN 0.689 nan 8.310 nan 0.000 0.453 128 Q N 0.208 120.054 119.800 0.076 0.000 2.172 128 Q HA 0.084 4.425 4.340 0.002 0.000 0.200 128 Q C 2.483 178.583 176.000 0.167 0.000 0.964 128 Q CA 1.202 57.072 55.803 0.112 0.000 0.855 128 Q CB -0.324 28.472 28.738 0.097 0.000 0.918 128 Q HN 0.695 nan 8.270 nan 0.000 0.444 129 A N 1.395 124.291 122.820 0.126 0.000 1.873 129 A HA -0.170 4.151 4.320 0.002 0.000 0.215 129 A C 2.005 179.653 177.584 0.107 0.000 1.186 129 A CA 1.104 53.195 52.037 0.091 0.000 0.616 129 A CB -0.314 18.533 19.000 -0.255 0.000 0.823 129 A HN 0.181 nan 8.150 nan 0.000 0.442 130 R N -0.501 120.032 120.500 0.055 0.000 2.081 130 R HA -0.163 4.178 4.340 0.002 0.000 0.235 130 R C 2.007 178.383 176.300 0.128 0.000 1.131 130 R CA 1.612 57.756 56.100 0.072 0.000 0.960 130 R CB -0.540 29.782 30.300 0.037 0.000 0.856 130 R HN 0.699 nan 8.270 nan 0.000 0.436 131 D N 0.359 120.842 120.400 0.137 0.000 2.104 131 D HA -0.219 4.422 4.640 0.002 0.000 0.194 131 D C 1.675 178.090 176.300 0.191 0.000 0.994 131 D CA 1.128 55.216 54.000 0.147 0.000 0.830 131 D CB -0.117 40.768 40.800 0.142 0.000 0.959 131 D HN 0.143 nan 8.370 nan 0.000 0.452 132 F N 0.744 120.777 119.950 0.138 0.000 2.102 132 F HA -0.082 4.446 4.527 0.002 0.000 0.298 132 F C 1.996 177.926 175.800 0.218 0.000 1.105 132 F CA 1.062 59.176 58.000 0.191 0.000 1.239 132 F CB -0.215 38.905 39.000 0.200 0.000 0.991 132 F HN -0.015 nan 8.300 nan 0.000 0.474 133 I N 0.945 121.562 120.570 0.077 0.000 2.264 133 I HA -0.307 3.865 4.170 0.002 0.000 0.248 133 I C 2.030 178.168 176.117 0.036 0.000 1.111 133 I CA 1.193 62.530 61.300 0.060 0.000 1.382 133 I CB -1.640 36.501 38.000 0.234 0.000 1.060 133 I HN 0.262 nan 8.210 nan 0.000 0.418 134 N N 0.855 119.599 118.700 0.073 0.000 2.120 134 N HA -0.188 4.553 4.740 0.002 0.000 0.188 134 N C 1.852 177.289 175.510 -0.122 0.000 1.024 134 N CA 1.097 54.165 53.050 0.030 0.000 0.852 134 N CB -0.288 38.269 38.487 0.117 0.000 1.003 134 N HN 0.504 nan 8.380 nan 0.000 0.424 135 Q N -0.341 119.395 119.800 -0.107 0.000 2.061 135 Q HA -0.202 4.139 4.340 0.002 0.000 0.204 135 Q C 1.876 177.631 176.000 -0.408 0.000 0.984 135 Q CA 1.461 57.200 55.803 -0.107 0.000 0.846 135 Q CB -0.287 28.507 28.738 0.094 0.000 0.902 135 Q HN 0.437 nan 8.270 nan 0.000 0.421 136 Y N 0.066 119.875 120.300 -0.818 0.000 2.070 136 Y HA -0.316 4.235 4.550 0.002 0.000 0.280 136 Y C 1.800 177.144 175.900 -0.926 0.000 1.148 136 Y CA 1.789 59.138 58.100 -1.252 0.000 1.125 136 Y CB -0.646 37.179 38.460 -1.058 0.000 0.975 136 Y HN 0.116 nan 8.280 nan 0.000 0.492 137 Y N -0.671 119.184 120.300 -0.741 0.000 2.333 137 Y HA -0.214 4.338 4.550 0.002 0.000 0.290 137 Y C 3.035 178.586 175.900 -0.581 0.000 1.144 137 Y CA 1.647 59.308 58.100 -0.732 0.000 1.228 137 Y CB -0.570 37.389 38.460 -0.835 0.000 0.985 137 Y HN 0.245 nan 8.280 nan 0.000 0.542 138 S N -0.641 114.825 115.700 -0.390 0.000 2.357 138 S HA -0.196 4.275 4.470 0.002 0.000 0.221 138 S C 2.405 176.830 174.600 -0.291 0.000 1.031 138 S CA 1.357 59.407 58.200 -0.250 0.000 0.982 138 S CB -0.691 62.413 63.200 -0.159 0.000 0.853 138 S HN 0.579 nan 8.310 nan 0.000 0.458 139 S N 2.087 117.521 115.700 -0.442 0.000 2.400 139 S HA -0.095 4.376 4.470 0.002 0.000 0.232 139 S C 1.561 175.932 174.600 -0.381 0.000 1.025 139 S CA 1.238 59.211 58.200 -0.378 0.000 0.993 139 S CB -1.019 61.832 63.200 -0.583 0.000 0.808 139 S HN 0.806 nan 8.310 nan 0.000 0.478 140 I N -2.705 117.534 120.570 -0.552 0.000 3.884 140 I HA 0.503 4.674 4.170 0.002 0.000 0.330 140 I C 0.038 176.003 176.117 -0.254 0.000 1.451 140 I CA -0.743 60.305 61.300 -0.419 0.000 1.165 140 I CB -0.472 37.177 38.000 -0.585 0.000 1.097 140 I HN -0.056 nan 8.210 nan 0.000 0.404 141 K N 1.437 121.715 120.400 -0.203 0.000 2.960 141 K HA -0.198 4.123 4.320 0.002 0.000 0.259 141 K C 0.335 176.889 176.600 -0.077 0.000 1.025 141 K CA 1.028 57.245 56.287 -0.117 0.000 0.756 141 K CB -1.499 30.951 32.500 -0.083 0.000 1.221 141 K HN 0.604 nan 8.250 nan 0.000 0.483 142 R N -0.060 120.396 120.500 -0.072 0.000 2.700 142 R HA 0.176 4.518 4.340 0.002 0.000 0.377 142 R C -0.467 175.877 176.300 0.073 0.000 1.130 142 R CA -0.253 55.866 56.100 0.032 0.000 1.055 142 R CB 0.873 31.243 30.300 0.116 0.000 1.387 142 R HN 0.044 nan 8.270 nan 0.000 0.580 143 S N -0.055 115.654 115.700 0.015 0.000 2.568 143 S HA 0.182 4.653 4.470 0.002 0.000 0.282 143 S C 1.465 176.164 174.600 0.164 0.000 1.338 143 S CA 0.737 58.981 58.200 0.074 0.000 1.045 143 S CB 1.084 64.301 63.200 0.029 0.000 0.873 143 S HN 0.680 nan 8.310 nan 0.000 0.516 144 G N 1.583 110.590 108.800 0.346 0.000 2.284 144 G HA2 -0.360 3.601 3.960 0.002 0.000 0.268 144 G HA3 -0.360 3.601 3.960 0.002 0.000 0.268 144 G C 0.464 175.359 174.900 -0.008 0.000 0.980 144 G CA 0.751 45.886 45.100 0.059 0.000 0.631 144 G HN 1.242 nan 8.290 nan 0.000 0.548 145 S N -0.706 115.009 115.700 0.026 0.000 2.611 145 S HA 0.242 4.714 4.470 0.002 0.000 0.252 145 S C 1.401 175.964 174.600 -0.062 0.000 1.369 145 S CA 0.901 59.095 58.200 -0.010 0.000 0.975 145 S CB 0.754 63.968 63.200 0.023 0.000 0.937 145 S HN 0.656 nan 8.310 nan 0.000 0.584 146 Q N 0.501 120.274 119.800 -0.044 0.000 2.046 146 Q HA -0.100 4.241 4.340 0.002 0.000 0.200 146 Q C 2.359 178.311 176.000 -0.081 0.000 0.975 146 Q CA 1.422 57.191 55.803 -0.056 0.000 0.836 146 Q CB -0.850 27.873 28.738 -0.025 0.000 0.896 146 Q HN 0.906 nan 8.270 nan 0.000 0.428 147 A N 0.690 123.480 122.820 -0.051 0.000 1.892 147 A HA -0.296 4.025 4.320 0.002 0.000 0.218 147 A C 1.954 179.359 177.584 -0.298 0.000 1.188 147 A CA 1.929 53.942 52.037 -0.041 0.000 0.631 147 A CB -1.374 17.716 19.000 0.150 0.000 0.822 147 A HN 0.755 nan 8.150 nan 0.000 0.447 148 H N -0.728 117.831 119.070 -0.852 0.000 2.319 148 H HA -0.161 4.396 4.556 0.002 0.000 0.297 148 H C 1.979 176.990 175.328 -0.527 0.000 1.097 148 H CA 1.435 56.703 56.048 -1.300 0.000 1.285 148 H CB 0.118 29.309 29.762 -0.951 0.000 1.368 148 H HN 0.449 nan 8.280 nan 0.000 0.495 149 E N 0.706 120.691 120.200 -0.359 0.000 2.077 149 E HA -0.152 4.199 4.350 0.002 0.000 0.193 149 E C 2.124 178.621 176.600 -0.171 0.000 0.989 149 E CA 1.110 57.332 56.400 -0.297 0.000 0.800 149 E CB -0.212 29.361 29.700 -0.212 0.000 0.746 149 E HN 0.722 nan 8.360 nan 0.000 0.452 150 E N 0.459 120.588 120.200 -0.118 0.000 2.152 150 E HA -0.143 4.208 4.350 0.002 0.000 0.192 150 E C 2.145 178.734 176.600 -0.018 0.000 0.983 150 E CA 0.523 56.891 56.400 -0.053 0.000 0.818 150 E CB -0.038 29.647 29.700 -0.024 0.000 0.758 150 E HN -0.070 nan 8.360 nan 0.000 0.467 151 R N 1.561 122.054 120.500 -0.012 0.000 2.075 151 R HA -0.064 4.278 4.340 0.002 0.000 0.232 151 R C 2.064 178.396 176.300 0.053 0.000 1.126 151 R CA 1.105 57.254 56.100 0.081 0.000 0.963 151 R CB -0.633 29.801 30.300 0.224 0.000 0.858 151 R HN 0.157 nan 8.270 nan 0.000 0.435 152 L N 0.251 121.474 121.223 0.001 0.000 2.046 152 L HA -0.194 4.148 4.340 0.002 0.000 0.208 152 L C 2.525 179.370 176.870 -0.041 0.000 1.077 152 L CA 1.696 56.521 54.840 -0.024 0.000 0.747 152 L CB -0.428 41.581 42.059 -0.084 0.000 0.896 152 L HN 0.310 nan 8.230 nan 0.000 0.432 153 Q N -0.386 119.388 119.800 -0.043 0.000 2.124 153 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 153 Q C 2.080 178.074 176.000 -0.011 0.000 0.977 153 Q CA 1.396 57.179 55.803 -0.032 0.000 0.850 153 Q CB -0.068 28.650 28.738 -0.032 0.000 0.901 153 Q HN 0.547 nan 8.270 nan 0.000 0.429 154 E N 0.065 120.270 120.200 0.008 0.000 2.017 154 E HA -0.180 4.171 4.350 0.002 0.000 0.193 154 E C 2.170 178.785 176.600 0.026 0.000 0.997 154 E CA 1.532 57.952 56.400 0.034 0.000 0.804 154 E CB -0.107 29.632 29.700 0.064 0.000 0.757 154 E HN 0.116 nan 8.360 nan 0.000 0.448 155 V N 1.573 121.480 119.914 -0.011 0.000 2.278 155 V HA -0.335 3.786 4.120 0.002 0.000 0.251 155 V C 2.372 178.405 176.094 -0.101 0.000 1.062 155 V CA 2.316 64.542 62.300 -0.123 0.000 1.038 155 V CB -0.598 31.040 31.823 -0.308 0.000 0.646 155 V HN 0.321 nan 8.190 nan 0.000 0.447 156 E N -0.165 119.992 120.200 -0.073 0.000 2.051 156 E HA -0.229 4.122 4.350 0.002 0.000 0.192 156 E C 2.296 178.892 176.600 -0.008 0.000 0.991 156 E CA 1.309 57.682 56.400 -0.045 0.000 0.799 156 E CB -0.266 29.412 29.700 -0.038 0.000 0.748 156 E HN 0.580 nan 8.360 nan 0.000 0.449 157 A N 1.016 123.838 122.820 0.004 0.000 1.883 157 A HA -0.275 4.047 4.320 0.002 0.000 0.217 157 A C 2.044 179.654 177.584 0.043 0.000 1.186 157 A CA 1.886 53.935 52.037 0.022 0.000 0.624 157 A CB -0.597 18.418 19.000 0.025 0.000 0.822 157 A HN 0.381 nan 8.150 nan 0.000 0.444 158 E N -0.520 119.719 120.200 0.065 0.000 2.047 158 E HA -0.108 4.243 4.350 0.002 0.000 0.191 158 E C 1.980 178.643 176.600 0.105 0.000 0.987 158 E CA 1.256 57.721 56.400 0.108 0.000 0.799 158 E CB -0.102 29.706 29.700 0.179 0.000 0.752 158 E HN 0.332 nan 8.360 nan 0.000 0.449 159 V N 1.296 121.264 119.914 0.089 0.000 2.287 159 V HA -0.303 3.818 4.120 0.002 0.000 0.248 159 V C 2.427 178.553 176.094 0.053 0.000 1.053 159 V CA 1.898 64.247 62.300 0.081 0.000 1.027 159 V CB -0.853 30.998 31.823 0.046 0.000 0.646 159 V HN 0.415 nan 8.190 nan 0.000 0.447 160 A N -0.563 122.278 122.820 0.036 0.000 1.940 160 A HA -0.222 4.099 4.320 0.002 0.000 0.219 160 A C 2.427 180.030 177.584 0.032 0.000 1.176 160 A CA 2.535 54.589 52.037 0.027 0.000 0.631 160 A CB -0.517 18.494 19.000 0.018 0.000 0.814 160 A HN 0.540 nan 8.150 nan 0.000 0.446 161 S N -1.661 114.064 115.700 0.041 0.000 2.456 161 S HA -0.016 4.455 4.470 0.002 0.000 0.224 161 S C 1.895 176.524 174.600 0.048 0.000 1.035 161 S CA 1.309 59.533 58.200 0.041 0.000 0.940 161 S CB 0.040 63.266 63.200 0.042 0.000 0.799 161 S HN 0.885 nan 8.310 nan 0.000 0.508 162 T N -2.338 112.254 114.554 0.062 0.000 2.985 162 T HA 0.444 4.795 4.350 0.002 0.000 0.254 162 T C 1.378 176.113 174.700 0.057 0.000 1.021 162 T CA 0.793 62.933 62.100 0.066 0.000 0.957 162 T CB 0.468 69.393 68.868 0.095 0.000 1.047 162 T HN 0.503 nan 8.240 nan 0.000 0.511 163 G N 0.259 109.093 108.800 0.056 0.000 2.136 163 G HA2 -0.125 3.836 3.960 0.002 0.000 0.242 163 G HA3 -0.125 3.836 3.960 0.002 0.000 0.242 163 G C 0.136 175.066 174.900 0.049 0.000 0.989 163 G CA 0.531 45.658 45.100 0.045 0.000 0.682 163 G HN 1.079 nan 8.290 nan 0.000 0.522 164 T N -1.710 112.890 114.554 0.077 0.000 2.661 164 T HA 0.668 5.019 4.350 0.002 0.000 0.303 164 T C -1.313 173.487 174.700 0.167 0.000 1.658 164 T CA 0.479 62.620 62.100 0.068 0.000 0.974 164 T CB 1.075 69.900 68.868 -0.072 0.000 1.857 164 T HN 1.701 nan 8.240 nan 0.000 0.475 165 Y N -0.791 119.418 120.300 -0.151 0.000 2.788 165 Y HA 0.837 5.388 4.550 0.002 0.000 0.335 165 Y C -1.650 174.047 175.900 -0.339 0.000 1.287 165 Y CA -1.180 56.873 58.100 -0.079 0.000 1.068 165 Y CB 0.780 39.249 38.460 0.016 0.000 1.340 165 Y HN 0.803 nan 8.280 nan 0.000 0.449 166 H N 0.450 119.529 119.070 0.015 0.000 2.747 166 H HA 0.688 5.245 4.556 0.002 0.000 0.371 166 H C -1.119 174.250 175.328 0.068 0.000 1.161 166 H CA -0.858 55.144 56.048 -0.078 0.000 1.167 166 H CB 2.022 31.787 29.762 0.005 0.000 1.732 166 H HN 0.717 nan 8.280 nan 0.000 0.544 167 L N 1.642 122.935 121.223 0.117 0.000 2.379 167 L HA 0.520 4.861 4.340 0.002 0.000 0.269 167 L C 0.418 177.355 176.870 0.111 0.000 1.084 167 L CA -0.768 54.160 54.840 0.146 0.000 0.802 167 L CB 0.959 43.060 42.059 0.070 0.000 1.175 167 L HN 0.394 nan 8.230 nan 0.000 0.448 168 R N 0.715 121.260 120.500 0.076 0.000 2.459 168 R HA 0.069 4.410 4.340 0.002 0.000 0.281 168 R C 0.908 177.199 176.300 -0.016 0.000 1.050 168 R CA -0.411 55.705 56.100 0.027 0.000 1.055 168 R CB 1.217 31.518 30.300 0.002 0.000 1.045 168 R HN 0.656 nan 8.270 nan 0.000 0.495 169 E N 1.524 121.715 120.200 -0.015 0.000 2.108 169 E HA -0.307 4.044 4.350 0.002 0.000 0.203 169 E C 1.522 178.100 176.600 -0.035 0.000 1.022 169 E CA 2.557 58.938 56.400 -0.031 0.000 0.823 169 E CB 0.049 29.737 29.700 -0.020 0.000 0.744 169 E HN 0.685 nan 8.360 nan 0.000 0.456 170 S N 0.067 115.746 115.700 -0.036 0.000 2.370 170 S HA -0.244 4.227 4.470 0.002 0.000 0.226 170 S C 1.844 176.410 174.600 -0.057 0.000 1.033 170 S CA 1.478 59.672 58.200 -0.011 0.000 1.011 170 S CB -0.467 62.747 63.200 0.024 0.000 0.852 170 S HN 0.418 nan 8.310 nan 0.000 0.457 171 E N 0.949 120.995 120.200 -0.257 0.000 2.077 171 E HA -0.064 4.287 4.350 0.002 0.000 0.193 171 E C 2.075 178.782 176.600 0.178 0.000 0.989 171 E CA 1.111 57.376 56.400 -0.224 0.000 0.800 171 E CB -0.357 29.246 29.700 -0.163 0.000 0.746 171 E HN 0.441 nan 8.360 nan 0.000 0.452 172 L N 0.860 122.099 121.223 0.026 0.000 2.017 172 L HA -0.168 4.173 4.340 0.002 0.000 0.208 172 L C 2.235 179.086 176.870 -0.031 0.000 1.073 172 L CA 1.395 56.192 54.840 -0.072 0.000 0.745 172 L CB -0.325 41.633 42.059 -0.168 0.000 0.894 172 L HN -0.052 nan 8.230 nan 0.000 0.432 173 V N -0.502 119.422 119.914 0.017 0.000 2.332 173 V HA -0.317 3.805 4.120 0.002 0.000 0.248 173 V C 2.328 178.512 176.094 0.150 0.000 1.055 173 V CA 2.133 64.459 62.300 0.044 0.000 1.038 173 V CB -0.916 30.935 31.823 0.047 0.000 0.651 173 V HN 0.576 nan 8.190 nan 0.000 0.450 174 F N 1.935 121.964 119.950 0.132 0.000 2.146 174 F HA 0.003 4.531 4.527 0.002 0.000 0.298 174 F C 2.136 178.085 175.800 0.249 0.000 1.096 174 F CA 1.555 59.691 58.000 0.227 0.000 1.275 174 F CB -0.839 38.368 39.000 0.345 0.000 1.008 174 F HN 0.121 nan 8.300 nan 0.000 0.480 175 G N -0.085 108.820 108.800 0.175 0.000 2.421 175 G HA2 -0.215 3.747 3.960 0.002 0.000 0.216 175 G HA3 -0.215 3.747 3.960 0.002 0.000 0.216 175 G C 1.859 176.653 174.900 -0.177 0.000 1.171 175 G CA 0.890 45.982 45.100 -0.013 0.000 0.775 175 G HN 0.619 nan 8.290 nan 0.000 0.543 176 A N 1.034 123.773 122.820 -0.136 0.000 1.865 176 A HA -0.076 4.245 4.320 0.002 0.000 0.217 176 A C 2.307 179.908 177.584 0.028 0.000 1.191 176 A CA 2.139 54.114 52.037 -0.104 0.000 0.623 176 A CB -0.464 18.503 19.000 -0.055 0.000 0.826 176 A HN 0.380 nan 8.150 nan 0.000 0.444 177 K N -0.838 119.611 120.400 0.080 0.000 2.103 177 K HA -0.159 4.162 4.320 0.002 0.000 0.207 177 K C 2.298 178.973 176.600 0.124 0.000 1.048 177 K CA 1.438 57.873 56.287 0.246 0.000 0.930 177 K CB -0.141 32.531 32.500 0.286 0.000 0.716 177 K HN 0.413 nan 8.250 nan 0.000 0.444 178 Q N -0.019 119.670 119.800 -0.185 0.000 2.167 178 Q HA -0.051 4.290 4.340 0.002 0.000 0.202 178 Q C 2.156 178.029 176.000 -0.212 0.000 0.970 178 Q CA 1.355 56.958 55.803 -0.332 0.000 0.855 178 Q CB -0.181 28.254 28.738 -0.505 0.000 0.911 178 Q HN 0.331 nan 8.270 nan 0.000 0.438 179 A N 0.164 122.876 122.820 -0.180 0.000 1.902 179 A HA -0.176 4.145 4.320 0.002 0.000 0.217 179 A C 1.808 179.460 177.584 0.112 0.000 1.181 179 A CA 1.299 53.197 52.037 -0.232 0.000 0.623 179 A CB -0.921 17.621 19.000 -0.763 0.000 0.818 179 A HN 0.521 nan 8.150 nan 0.000 0.443 180 W N 1.017 122.354 121.300 0.062 0.000 2.358 180 W HA -0.116 4.545 4.660 0.002 0.000 0.303 180 W C 2.317 178.801 176.519 -0.057 0.000 1.208 180 W CA 1.504 58.889 57.345 0.067 0.000 1.274 180 W CB -0.644 28.847 29.460 0.050 0.000 1.138 180 W HN 0.364 nan 8.180 nan 0.000 0.515 181 R N 0.326 120.759 120.500 -0.112 0.000 2.105 181 R HA -0.173 4.168 4.340 0.002 0.000 0.239 181 R C 1.568 177.710 176.300 -0.263 0.000 1.135 181 R CA 1.809 57.624 56.100 -0.475 0.000 0.967 181 R CB -0.546 29.150 30.300 -1.007 0.000 0.861 181 R HN 0.112 nan 8.270 nan 0.000 0.442 182 N N 0.437 119.035 118.700 -0.171 0.000 2.467 182 N HA 0.004 4.745 4.740 0.002 0.000 0.184 182 N C -0.225 175.237 175.510 -0.081 0.000 1.106 182 N CA 0.611 53.580 53.050 -0.136 0.000 0.892 182 N CB 0.336 38.745 38.487 -0.130 0.000 0.969 182 N HN 0.150 nan 8.380 nan 0.000 0.454 183 A N 2.406 125.230 122.820 0.006 0.000 2.500 183 A HA 0.194 4.516 4.320 0.002 0.000 0.285 183 A C -1.190 176.379 177.584 -0.025 0.000 1.183 183 A CA -0.895 51.150 52.037 0.014 0.000 0.851 183 A CB 0.197 19.252 19.000 0.092 0.000 1.091 183 A HN 0.013 nan 8.150 nan 0.000 0.521 184 P HA -0.139 nan 4.420 nan 0.000 0.219 184 P C 1.083 178.340 177.300 -0.071 0.000 1.146 184 P CA 1.186 64.234 63.100 -0.086 0.000 0.808 184 P CB 0.143 31.758 31.700 -0.142 0.000 0.779 185 R N -2.161 118.264 120.500 -0.125 0.000 2.317 185 R HA 0.143 4.484 4.340 0.002 0.000 0.208 185 R C 0.246 176.575 176.300 0.048 0.000 0.914 185 R CA -0.145 55.908 56.100 -0.077 0.000 1.060 185 R CB -0.435 29.620 30.300 -0.408 0.000 1.015 185 R HN 0.178 nan 8.270 nan 0.000 0.498 186 C N 0.562 119.870 119.300 0.013 0.000 2.325 186 C HA 0.216 4.677 4.460 0.002 0.000 0.347 186 C C 1.858 176.810 174.990 -0.063 0.000 1.263 186 C CA -0.646 58.400 59.018 0.046 0.000 1.806 186 C CB 0.613 28.448 27.740 0.159 0.000 2.405 186 C HN 0.282 nan 8.230 nan 0.000 0.537 187 V N 5.872 125.703 119.914 -0.137 0.000 3.406 187 V HA 0.231 4.352 4.120 0.002 0.000 0.263 187 V C 1.699 177.802 176.094 0.015 0.000 1.172 187 V CA 1.998 64.100 62.300 -0.331 0.000 1.140 187 V CB -0.013 31.641 31.823 -0.282 0.000 0.784 187 V HN 1.058 nan 8.190 nan 0.000 0.467 188 G N -0.599 108.255 108.800 0.090 0.000 3.523 188 G HA2 0.096 4.057 3.960 0.002 0.000 0.270 188 G HA3 0.096 4.057 3.960 0.002 0.000 0.270 188 G C 1.098 176.049 174.900 0.084 0.000 1.134 188 G CA -0.391 44.785 45.100 0.125 0.000 0.825 188 G HN 0.419 nan 8.290 nan 0.000 0.534 189 R N -0.159 120.313 120.500 -0.047 0.000 2.377 189 R HA 0.105 4.446 4.340 0.002 0.000 0.207 189 R C 1.924 177.820 176.300 -0.673 0.000 1.075 189 R CA 0.141 55.930 56.100 -0.518 0.000 1.035 189 R CB -0.133 29.848 30.300 -0.533 0.000 0.857 189 R HN 0.471 nan 8.270 nan 0.000 0.475 190 I N 0.729 121.069 120.570 -0.383 0.000 2.614 190 I HA -0.226 3.946 4.170 0.002 0.000 0.258 190 I C 1.372 177.403 176.117 -0.143 0.000 1.189 190 I CA 1.211 62.431 61.300 -0.134 0.000 1.462 190 I CB 0.186 38.215 38.000 0.048 0.000 1.092 190 I HN 0.188 nan 8.210 nan 0.000 0.442 191 Q N 0.502 120.156 119.800 -0.243 0.000 2.360 191 Q HA -0.098 4.243 4.340 0.002 0.000 0.202 191 Q C 1.627 177.206 176.000 -0.702 0.000 0.915 191 Q CA 0.383 56.037 55.803 -0.248 0.000 0.943 191 Q CB -0.196 28.569 28.738 0.044 0.000 1.064 191 Q HN 0.793 nan 8.270 nan 0.000 0.511 192 W N 0.330 120.870 121.300 -1.266 0.000 2.321 192 W HA -0.163 4.498 4.660 0.002 0.000 0.285 192 W C 1.073 177.272 176.519 -0.534 0.000 1.213 192 W CA 1.251 57.695 57.345 -1.501 0.000 1.205 192 W CB -1.158 27.655 29.460 -1.079 0.000 1.134 192 W HN 0.066 nan 8.180 nan 0.000 0.549 193 G N 1.041 109.175 108.800 -1.109 0.000 2.712 193 G HA2 -0.139 3.822 3.960 0.002 0.000 0.212 193 G HA3 -0.139 3.822 3.960 0.002 0.000 0.212 193 G C 0.707 175.407 174.900 -0.332 0.000 1.142 193 G CA -0.072 44.482 45.100 -0.910 0.000 0.789 193 G HN 0.243 nan 8.290 nan 0.000 0.535 194 K N 0.298 120.603 120.400 -0.159 0.000 2.419 194 K HA 0.531 4.852 4.320 0.002 0.000 0.244 194 K C -1.703 175.020 176.600 0.206 0.000 1.045 194 K CA -0.703 55.600 56.287 0.026 0.000 1.004 194 K CB 0.463 32.998 32.500 0.059 0.000 1.376 194 K HN 0.063 nan 8.250 nan 0.000 0.460 195 L N 3.287 124.605 121.223 0.158 0.000 2.476 195 L HA 0.310 4.651 4.340 0.002 0.000 0.269 195 L C -1.297 175.562 176.870 -0.017 0.000 0.965 195 L CA -0.389 54.544 54.840 0.154 0.000 0.845 195 L CB 1.903 44.129 42.059 0.277 0.000 1.259 195 L HN 0.484 nan 8.230 nan 0.000 0.403 196 Q N 3.369 123.103 119.800 -0.111 0.000 2.296 196 Q HA 0.474 4.816 4.340 0.002 0.000 0.263 196 Q C -1.521 174.147 176.000 -0.554 0.000 1.026 196 Q CA 0.057 55.625 55.803 -0.391 0.000 0.912 196 Q CB 1.089 29.487 28.738 -0.567 0.000 1.198 196 Q HN 0.527 nan 8.270 nan 0.000 0.407 197 V N 6.550 126.156 119.914 -0.513 0.000 2.328 197 V HA 0.364 4.485 4.120 0.002 0.000 0.278 197 V C -0.711 175.090 176.094 -0.489 0.000 1.021 197 V CA -0.561 61.495 62.300 -0.405 0.000 0.838 197 V CB 0.197 31.895 31.823 -0.208 0.000 0.999 197 V HN 0.636 nan 8.190 nan 0.000 0.447 198 F N 2.788 122.621 119.950 -0.195 0.000 2.404 198 F HA 0.357 4.886 4.527 0.002 0.000 0.358 198 F C 0.586 176.248 175.800 -0.231 0.000 1.120 198 F CA -0.950 56.938 58.000 -0.186 0.000 1.144 198 F CB 0.847 39.752 39.000 -0.158 0.000 1.133 198 F HN 0.424 nan 8.300 nan 0.000 0.495 199 D N 3.163 123.551 120.400 -0.021 0.000 2.336 199 D HA 0.393 5.034 4.640 0.002 0.000 0.249 199 D C 0.090 176.259 176.300 -0.218 0.000 1.213 199 D CA 0.054 53.974 54.000 -0.135 0.000 0.870 199 D CB 1.140 41.892 40.800 -0.079 0.000 1.076 199 D HN 0.609 nan 8.370 nan 0.000 0.483 200 A N 4.557 127.080 122.820 -0.495 0.000 2.637 200 A HA 0.172 4.493 4.320 0.002 0.000 0.293 200 A C 1.588 178.861 177.584 -0.517 0.000 1.216 200 A CA -0.395 51.098 52.037 -0.906 0.000 0.956 200 A CB 0.056 18.006 19.000 -1.750 0.000 1.174 200 A HN 0.561 nan 8.150 nan 0.000 0.525 201 R N 1.040 121.380 120.500 -0.267 0.000 2.285 201 R HA -0.066 4.275 4.340 0.002 0.000 0.213 201 R C 0.183 176.435 176.300 -0.080 0.000 1.068 201 R CA 1.176 57.194 56.100 -0.135 0.000 1.004 201 R CB 0.035 30.315 30.300 -0.034 0.000 0.873 201 R HN 0.661 nan 8.270 nan 0.000 0.467 202 D N -0.030 120.342 120.400 -0.046 0.000 3.168 202 D HA -0.012 4.629 4.640 0.002 0.000 0.255 202 D C -0.720 175.640 176.300 0.099 0.000 1.314 202 D CA -0.256 53.768 54.000 0.040 0.000 0.900 202 D CB -0.254 40.591 40.800 0.076 0.000 1.072 202 D HN -0.019 nan 8.370 nan 0.000 0.487 203 C N 1.234 120.559 119.300 0.041 0.000 2.379 203 C HA 0.588 5.049 4.460 0.002 0.000 0.323 203 C C 1.110 176.213 174.990 0.189 0.000 1.262 203 C CA -0.210 58.892 59.018 0.142 0.000 1.581 203 C CB 0.802 28.608 27.740 0.110 0.000 2.221 203 C HN 0.477 nan 8.230 nan 0.000 0.497 204 S N 2.424 118.294 115.700 0.284 0.000 2.819 204 S HA 0.374 4.845 4.470 0.002 0.000 0.249 204 S C -0.075 174.703 174.600 0.297 0.000 1.030 204 S CA 0.169 58.576 58.200 0.345 0.000 1.052 204 S CB -0.291 63.038 63.200 0.214 0.000 1.017 204 S HN 1.378 nan 8.310 nan 0.000 0.576 205 S N -0.538 115.343 115.700 0.302 0.000 2.565 205 S HA 0.789 5.260 4.470 0.002 0.000 0.269 205 S C 0.806 175.512 174.600 0.177 0.000 1.153 205 S CA -0.342 57.974 58.200 0.193 0.000 0.835 205 S CB 0.909 64.198 63.200 0.148 0.000 1.122 205 S HN 0.531 nan 8.310 nan 0.000 0.462 206 A N 1.009 123.910 122.820 0.133 0.000 1.908 206 A HA -0.127 4.194 4.320 0.002 0.000 0.218 206 A C 2.118 179.726 177.584 0.039 0.000 1.181 206 A CA 2.374 54.483 52.037 0.121 0.000 0.627 206 A CB -1.255 17.894 19.000 0.248 0.000 0.818 206 A HN 0.941 nan 8.150 nan 0.000 0.445 207 Q N 0.161 120.076 119.800 0.191 0.000 2.096 207 Q HA -0.192 4.149 4.340 0.002 0.000 0.204 207 Q C 1.777 177.813 176.000 0.061 0.000 0.982 207 Q CA 2.380 58.274 55.803 0.152 0.000 0.850 207 Q CB -0.399 28.479 28.738 0.233 0.000 0.901 207 Q HN 0.760 nan 8.270 nan 0.000 0.422 208 E N -0.793 119.475 120.200 0.113 0.000 2.107 208 E HA -0.125 4.226 4.350 0.002 0.000 0.191 208 E C 2.015 178.758 176.600 0.238 0.000 0.982 208 E CA 1.151 57.649 56.400 0.164 0.000 0.809 208 E CB -0.099 29.746 29.700 0.241 0.000 0.756 208 E HN 0.441 nan 8.360 nan 0.000 0.459 209 M N -0.118 119.553 119.600 0.118 0.000 2.080 209 M HA -0.172 4.309 4.480 0.002 0.000 0.260 209 M C 2.152 178.447 176.300 -0.008 0.000 1.068 209 M CA 1.446 56.727 55.300 -0.031 0.000 1.109 209 M CB -0.296 32.082 32.600 -0.371 0.000 1.342 209 M HN 0.145 nan 8.290 nan 0.000 0.405 210 F N 0.698 120.422 119.950 -0.376 0.000 2.171 210 F HA -0.217 4.312 4.527 0.002 0.000 0.300 210 F C 2.217 177.893 175.800 -0.206 0.000 1.090 210 F CA 1.602 59.316 58.000 -0.477 0.000 1.293 210 F CB -0.118 38.212 39.000 -1.116 0.000 1.013 210 F HN 0.030 nan 8.300 nan 0.000 0.486 211 T N -0.636 113.779 114.554 -0.232 0.000 2.812 211 T HA -0.182 4.169 4.350 0.002 0.000 0.264 211 T C 1.537 176.074 174.700 -0.273 0.000 1.042 211 T CA 1.606 63.529 62.100 -0.295 0.000 1.140 211 T CB -0.593 68.157 68.868 -0.197 0.000 0.870 211 T HN 0.330 nan 8.240 nan 0.000 0.445 212 Y N 1.054 121.294 120.300 -0.100 0.000 2.145 212 Y HA -0.048 4.503 4.550 0.002 0.000 0.286 212 Y C 2.280 178.116 175.900 -0.107 0.000 1.145 212 Y CA 0.968 59.027 58.100 -0.067 0.000 1.148 212 Y CB -0.325 38.216 38.460 0.136 0.000 0.981 212 Y HN 0.154 nan 8.280 nan 0.000 0.507 213 I N -1.495 119.132 120.570 0.095 0.000 2.286 213 I HA -0.365 3.807 4.170 0.002 0.000 0.248 213 I C 2.229 178.246 176.117 -0.168 0.000 1.115 213 I CA 0.908 62.189 61.300 -0.031 0.000 1.392 213 I CB -0.462 37.497 38.000 -0.069 0.000 1.065 213 I HN 0.356 nan 8.210 nan 0.000 0.418 214 C N 0.704 119.793 119.300 -0.352 0.000 2.440 214 C HA -0.106 4.355 4.460 0.002 0.000 0.278 214 C C 2.597 177.474 174.990 -0.189 0.000 1.295 214 C CA 0.714 59.528 59.018 -0.340 0.000 1.738 214 C CB -1.310 26.122 27.740 -0.514 0.000 1.987 214 C HN 0.550 nan 8.230 nan 0.000 0.492 215 N N -0.028 118.547 118.700 -0.209 0.000 2.188 215 N HA -0.133 4.608 4.740 0.002 0.000 0.184 215 N C 1.455 176.853 175.510 -0.186 0.000 1.018 215 N CA 1.319 54.239 53.050 -0.217 0.000 0.858 215 N CB -0.768 37.518 38.487 -0.336 0.000 0.989 215 N HN 0.753 nan 8.380 nan 0.000 0.426 216 H N 0.725 119.619 119.070 -0.294 0.000 2.353 216 H HA 0.066 4.623 4.556 0.002 0.000 0.300 216 H C 2.136 177.494 175.328 0.051 0.000 1.090 216 H CA 1.379 57.339 56.048 -0.146 0.000 1.327 216 H CB -0.007 29.720 29.762 -0.057 0.000 1.383 216 H HN 0.080 nan 8.280 nan 0.000 0.508 217 I N 0.626 121.334 120.570 0.231 0.000 2.226 217 I HA -0.246 3.925 4.170 0.002 0.000 0.245 217 I C 2.323 178.508 176.117 0.113 0.000 1.100 217 I CA 1.326 62.723 61.300 0.163 0.000 1.374 217 I CB -0.192 37.823 38.000 0.025 0.000 1.057 217 I HN 0.312 nan 8.210 nan 0.000 0.413 218 K N -0.080 120.357 120.400 0.061 0.000 2.026 218 K HA -0.229 4.092 4.320 0.002 0.000 0.208 218 K C 2.218 178.863 176.600 0.074 0.000 1.048 218 K CA 1.688 58.001 56.287 0.043 0.000 0.929 218 K CB -0.425 32.082 32.500 0.011 0.000 0.713 218 K HN 0.252 nan 8.250 nan 0.000 0.439 219 Y N 1.616 121.928 120.300 0.021 0.000 2.114 219 Y HA -0.258 4.293 4.550 0.002 0.000 0.284 219 Y C 2.320 178.275 175.900 0.091 0.000 1.143 219 Y CA 1.641 59.787 58.100 0.077 0.000 1.135 219 Y CB -0.421 38.143 38.460 0.173 0.000 0.980 219 Y HN 0.048 nan 8.280 nan 0.000 0.499 220 A N -0.616 122.341 122.820 0.228 0.000 1.908 220 A HA -0.198 4.123 4.320 0.002 0.000 0.218 220 A C 2.199 179.831 177.584 0.080 0.000 1.181 220 A CA 2.398 54.534 52.037 0.166 0.000 0.627 220 A CB -1.364 17.791 19.000 0.258 0.000 0.818 220 A HN 0.547 nan 8.150 nan 0.000 0.445 221 T N -0.515 114.087 114.554 0.080 0.000 2.737 221 T HA -0.116 4.235 4.350 0.002 0.000 0.265 221 T C 1.026 175.730 174.700 0.006 0.000 1.038 221 T CA 0.981 63.120 62.100 0.065 0.000 1.144 221 T CB -0.561 68.345 68.868 0.063 0.000 0.866 221 T HN 0.749 nan 8.240 nan 0.000 0.434 222 N N 0.971 119.642 118.700 -0.048 0.000 2.707 222 N HA -0.277 4.464 4.740 0.002 0.000 0.253 222 N C -0.633 174.850 175.510 -0.046 0.000 0.998 222 N CA 0.036 53.035 53.050 -0.085 0.000 0.751 222 N CB -0.576 37.821 38.487 -0.150 0.000 0.920 222 N HN 0.392 nan 8.380 nan 0.000 0.539 223 R N -2.004 118.481 120.500 -0.024 0.000 3.516 223 R HA -0.248 4.093 4.340 0.002 0.000 0.271 223 R C 1.201 177.488 176.300 -0.022 0.000 1.098 223 R CA 1.008 57.095 56.100 -0.021 0.000 0.732 223 R CB -2.080 28.204 30.300 -0.026 0.000 1.152 223 R HN 0.860 nan 8.270 nan 0.000 0.455 224 G N -0.171 108.625 108.800 -0.007 0.000 2.232 224 G HA2 -0.341 3.620 3.960 0.002 0.000 0.226 224 G HA3 -0.341 3.620 3.960 0.002 0.000 0.226 224 G C -0.020 174.878 174.900 -0.004 0.000 0.996 224 G CA 0.159 45.256 45.100 -0.005 0.000 0.626 224 G HN 0.505 nan 8.290 nan 0.000 0.509 225 N N 1.072 119.757 118.700 -0.024 0.000 3.229 225 N HA 0.457 5.198 4.740 0.002 0.000 0.275 225 N C 0.299 175.795 175.510 -0.024 0.000 1.225 225 N CA -0.764 52.257 53.050 -0.048 0.000 1.119 225 N CB -0.097 38.352 38.487 -0.062 0.000 1.392 225 N HN 0.147 nan 8.380 nan 0.000 0.520 226 L N 2.048 123.293 121.223 0.037 0.000 2.573 226 L HA -0.013 4.328 4.340 0.002 0.000 0.290 226 L C 0.632 177.630 176.870 0.214 0.000 1.247 226 L CA 1.164 56.095 54.840 0.151 0.000 0.876 226 L CB 0.118 42.359 42.059 0.305 0.000 1.123 226 L HN 0.374 nan 8.230 nan 0.000 0.505 227 R N 1.391 122.014 120.500 0.205 0.000 2.532 227 R HA 0.413 4.755 4.340 0.002 0.000 0.297 227 R C -0.692 175.765 176.300 0.262 0.000 0.984 227 R CA -0.685 55.555 56.100 0.234 0.000 0.884 227 R CB 1.662 31.967 30.300 0.010 0.000 1.182 227 R HN 0.557 nan 8.270 nan 0.000 0.442 228 S N 1.673 117.520 115.700 0.246 0.000 2.525 228 S HA 0.370 4.841 4.470 0.002 0.000 0.285 228 S C -0.188 174.447 174.600 0.058 0.000 1.283 228 S CA -0.151 58.085 58.200 0.059 0.000 1.072 228 S CB 0.978 64.143 63.200 -0.059 0.000 0.867 228 S HN 0.679 nan 8.310 nan 0.000 0.492 229 A N 3.128 125.948 122.820 -0.001 0.000 2.587 229 A HA 0.873 5.195 4.320 0.002 0.000 0.293 229 A C -1.097 176.499 177.584 0.020 0.000 1.087 229 A CA -0.711 51.265 52.037 -0.101 0.000 0.692 229 A CB 1.285 20.152 19.000 -0.222 0.000 1.291 229 A HN 0.807 nan 8.150 nan 0.000 0.407 230 I N 0.213 120.800 120.570 0.028 0.000 2.752 230 I HA 0.630 4.801 4.170 0.002 0.000 0.295 230 I C -1.232 175.012 176.117 0.212 0.000 1.219 230 I CA -0.057 61.389 61.300 0.245 0.000 1.030 230 I CB 2.429 40.517 38.000 0.146 0.000 1.259 230 I HN 0.597 nan 8.210 nan 0.000 0.423 231 T N 6.199 120.902 114.554 0.248 0.000 2.812 231 T HA 0.496 4.847 4.350 0.002 0.000 0.282 231 T C -0.910 173.605 174.700 -0.309 0.000 0.990 231 T CA -0.393 61.699 62.100 -0.012 0.000 0.960 231 T CB 1.673 70.521 68.868 -0.034 0.000 0.948 231 T HN 0.267 nan 8.240 nan 0.000 0.438 232 V N 4.904 124.547 119.914 -0.451 0.000 2.334 232 V HA 0.482 4.603 4.120 0.002 0.000 0.281 232 V C -0.452 175.312 176.094 -0.550 0.000 1.016 232 V CA -0.844 61.196 62.300 -0.433 0.000 0.832 232 V CB 0.014 31.565 31.823 -0.453 0.000 0.999 232 V HN 0.722 nan 8.190 nan 0.000 0.439 233 F N 4.929 124.796 119.950 -0.138 0.000 2.348 233 F HA 0.490 5.018 4.527 0.002 0.000 0.308 233 F C -1.746 173.950 175.800 -0.173 0.000 1.175 233 F CA -2.375 55.467 58.000 -0.264 0.000 1.080 233 F CB 0.012 38.849 39.000 -0.272 0.000 1.341 233 F HN 0.283 nan 8.300 nan 0.000 0.518 234 P HA -0.033 nan 4.420 nan 0.000 0.264 234 P C -1.038 176.269 177.300 0.011 0.000 1.179 234 P CA -0.009 62.996 63.100 -0.157 0.000 0.763 234 P CB 0.168 31.595 31.700 -0.456 0.000 0.806 235 Q N 3.333 123.093 119.800 -0.066 0.000 2.454 235 Q HA 0.178 4.519 4.340 0.002 0.000 0.247 235 Q C -0.191 175.690 176.000 -0.199 0.000 1.028 235 Q CA -0.408 55.117 55.803 -0.463 0.000 0.910 235 Q CB 0.586 28.824 28.738 -0.832 0.000 1.276 235 Q HN 0.336 nan 8.270 nan 0.000 0.489 236 R N 0.118 120.480 120.500 -0.230 0.000 2.734 236 R HA 0.402 4.743 4.340 0.002 0.000 0.266 236 R C -0.651 175.592 176.300 -0.095 0.000 1.044 236 R CA 0.405 56.451 56.100 -0.089 0.000 1.128 236 R CB 0.480 30.720 30.300 -0.100 0.000 1.010 236 R HN 0.736 nan 8.270 nan 0.000 0.461 237 A N 3.472 126.277 122.820 -0.026 0.000 2.422 237 A HA 0.491 4.812 4.320 0.002 0.000 0.302 237 A C -2.529 175.048 177.584 -0.011 0.000 1.041 237 A CA -2.016 50.008 52.037 -0.021 0.000 0.708 237 A CB 1.520 20.535 19.000 0.026 0.000 1.257 237 A HN 0.394 nan 8.150 nan 0.000 0.414 238 P HA 0.191 nan 4.420 nan 0.000 0.260 238 P C 1.200 178.501 177.300 0.002 0.000 1.172 238 P CA 2.362 65.457 63.100 -0.008 0.000 0.760 238 P CB 0.547 32.244 31.700 -0.005 0.000 0.773 239 G N 2.164 110.965 108.800 0.001 0.000 2.196 239 G HA2 -0.312 3.649 3.960 0.002 0.000 0.268 239 G HA3 -0.312 3.649 3.960 0.002 0.000 0.268 239 G C 0.392 175.295 174.900 0.006 0.000 0.975 239 G CA 0.073 45.176 45.100 0.005 0.000 0.648 239 G HN 0.710 nan 8.290 nan 0.000 0.538 240 R N 0.698 121.203 120.500 0.007 0.000 2.664 240 R HA 0.568 4.909 4.340 0.002 0.000 0.286 240 R C 0.895 177.196 176.300 0.002 0.000 0.967 240 R CA 0.023 56.127 56.100 0.006 0.000 0.933 240 R CB 0.865 31.176 30.300 0.018 0.000 1.146 240 R HN 0.297 nan 8.270 nan 0.000 0.468 241 G N 1.878 110.671 108.800 -0.012 0.000 2.594 241 G HA2 0.025 3.986 3.960 0.002 0.000 0.243 241 G HA3 0.025 3.986 3.960 0.002 0.000 0.243 241 G C -0.545 174.347 174.900 -0.013 0.000 1.229 241 G CA -0.386 44.706 45.100 -0.012 0.000 0.843 241 G HN 0.605 nan 8.290 nan 0.000 0.578 242 D N -0.302 120.112 120.400 0.023 0.000 2.313 242 D HA 0.293 4.934 4.640 0.002 0.000 0.247 242 D C -0.104 176.247 176.300 0.085 0.000 1.094 242 D CA 0.129 54.180 54.000 0.085 0.000 0.925 242 D CB 0.968 41.821 40.800 0.090 0.000 1.188 242 D HN 0.096 nan 8.370 nan 0.000 0.430 243 F N 1.353 121.335 119.950 0.053 0.000 2.412 243 F HA 0.319 4.847 4.527 0.002 0.000 0.348 243 F C 1.085 176.923 175.800 0.063 0.000 1.102 243 F CA 0.086 58.109 58.000 0.038 0.000 1.196 243 F CB 0.690 39.705 39.000 0.025 0.000 1.144 243 F HN -0.164 nan 8.300 nan 0.000 0.541 244 R N 3.462 124.101 120.500 0.232 0.000 2.668 244 R HA 0.509 4.850 4.340 0.002 0.000 0.272 244 R C -1.434 175.015 176.300 0.249 0.000 1.019 244 R CA -0.842 55.404 56.100 0.243 0.000 0.894 244 R CB 2.173 32.650 30.300 0.296 0.000 1.228 244 R HN 0.611 nan 8.270 nan 0.000 0.460 245 I N 1.776 122.483 120.570 0.228 0.000 2.354 245 I HA 0.173 4.344 4.170 0.002 0.000 0.286 245 I C 0.475 176.796 176.117 0.341 0.000 1.007 245 I CA -0.444 60.979 61.300 0.206 0.000 1.167 245 I CB 1.165 39.227 38.000 0.103 0.000 1.320 245 I HN 0.525 nan 8.210 nan 0.000 0.458 246 W N 3.564 124.914 121.300 0.084 0.000 2.363 246 W HA -0.094 4.567 4.660 0.002 0.000 0.296 246 W C 1.015 177.649 176.519 0.191 0.000 1.212 246 W CA 0.230 57.696 57.345 0.200 0.000 1.260 246 W CB -0.790 28.767 29.460 0.161 0.000 1.131 246 W HN 0.402 nan 8.180 nan 0.000 0.530 247 N N -0.075 118.793 118.700 0.280 0.000 2.453 247 N HA 0.007 4.749 4.740 0.002 0.000 0.253 247 N C 1.322 176.897 175.510 0.108 0.000 1.252 247 N CA 0.867 54.002 53.050 0.141 0.000 0.917 247 N CB 0.716 39.223 38.487 0.034 0.000 1.117 247 N HN -0.096 nan 8.380 nan 0.000 0.442 248 S N 0.301 116.053 115.700 0.086 0.000 2.461 248 S HA 0.007 4.478 4.470 0.002 0.000 0.228 248 S C 0.337 174.936 174.600 -0.003 0.000 1.005 248 S CA 0.569 58.805 58.200 0.060 0.000 0.942 248 S CB 0.093 63.346 63.200 0.089 0.000 0.776 248 S HN 0.625 nan 8.310 nan 0.000 0.514 249 Q N -0.733 119.049 119.800 -0.030 0.000 2.456 249 Q HA 0.496 4.837 4.340 0.002 0.000 0.283 249 Q C 0.009 175.922 176.000 -0.145 0.000 1.084 249 Q CA -0.581 55.165 55.803 -0.095 0.000 0.801 249 Q CB 1.901 30.610 28.738 -0.048 0.000 1.434 249 Q HN 0.126 nan 8.270 nan 0.000 0.419 250 L N 0.189 121.296 121.223 -0.194 0.000 2.376 250 L HA 0.065 4.406 4.340 0.002 0.000 0.219 250 L C 0.174 176.882 176.870 -0.269 0.000 1.133 250 L CA 0.627 55.351 54.840 -0.194 0.000 0.816 250 L CB 0.316 42.257 42.059 -0.197 0.000 0.933 250 L HN 0.223 nan 8.230 nan 0.000 0.449 251 V N 0.673 120.327 119.914 -0.434 0.000 2.525 251 V HA 0.492 4.613 4.120 0.002 0.000 0.299 251 V C -0.424 175.216 176.094 -0.757 0.000 1.034 251 V CA -0.714 61.164 62.300 -0.703 0.000 0.863 251 V CB 1.834 32.974 31.823 -1.139 0.000 0.999 251 V HN 0.122 nan 8.190 nan 0.000 0.423 252 R N 2.959 123.146 120.500 -0.521 0.000 2.651 252 R HA 0.492 4.833 4.340 0.002 0.000 0.278 252 R C -1.840 174.296 176.300 -0.273 0.000 1.010 252 R CA -0.763 55.147 56.100 -0.316 0.000 0.896 252 R CB 2.457 32.678 30.300 -0.133 0.000 1.211 252 R HN 0.582 nan 8.270 nan 0.000 0.456 253 Y N 0.677 120.965 120.300 -0.020 0.000 2.313 253 Y HA 0.373 4.924 4.550 0.002 0.000 0.332 253 Y C 1.032 176.880 175.900 -0.087 0.000 1.071 253 Y CA -0.593 57.492 58.100 -0.025 0.000 1.169 253 Y CB 1.119 39.604 38.460 0.041 0.000 1.192 253 Y HN 0.688 nan 8.280 nan 0.000 0.487 254 A N 2.180 125.014 122.820 0.024 0.000 2.555 254 A HA 0.451 4.772 4.320 0.002 0.000 0.233 254 A C 0.736 178.063 177.584 -0.429 0.000 1.060 254 A CA 0.471 52.370 52.037 -0.230 0.000 0.759 254 A CB -0.288 18.539 19.000 -0.289 0.000 0.995 254 A HN 0.971 nan 8.150 nan 0.000 0.506 255 G N 0.971 109.525 108.800 -0.410 0.000 2.728 255 G HA2 0.539 4.500 3.960 0.002 0.000 0.296 255 G HA3 0.539 4.500 3.960 0.002 0.000 0.296 255 G C -0.920 173.836 174.900 -0.240 0.000 1.401 255 G CA -0.316 44.591 45.100 -0.321 0.000 1.007 255 G HN 0.583 nan 8.290 nan 0.000 0.527 256 Y N 2.143 122.458 120.300 0.024 0.000 2.367 256 Y HA 0.425 4.976 4.550 0.002 0.000 0.342 256 Y C 1.164 177.066 175.900 0.004 0.000 0.979 256 Y CA -1.065 57.050 58.100 0.026 0.000 1.161 256 Y CB 1.313 39.787 38.460 0.024 0.000 1.155 256 Y HN 0.188 nan 8.280 nan 0.000 0.503 257 R N 4.252 124.844 120.500 0.154 0.000 2.438 257 R HA 0.233 4.574 4.340 0.002 0.000 0.287 257 R C -0.362 175.983 176.300 0.076 0.000 1.077 257 R CA -0.275 55.875 56.100 0.085 0.000 1.034 257 R CB 1.046 31.382 30.300 0.061 0.000 0.993 257 R HN 0.816 nan 8.270 nan 0.000 0.459 258 Q N 1.460 121.290 119.800 0.049 0.000 2.522 258 Q HA 0.141 4.482 4.340 0.002 0.000 0.285 258 Q C -0.259 175.753 176.000 0.018 0.000 0.982 258 Q CA -0.959 54.862 55.803 0.030 0.000 0.805 258 Q CB 1.539 30.294 28.738 0.029 0.000 1.457 258 Q HN 0.752 nan 8.270 nan 0.000 0.394 259 Q N 1.123 120.928 119.800 0.009 0.000 2.443 259 Q HA -0.326 4.015 4.340 0.002 0.000 0.445 259 Q C -0.430 175.575 176.000 0.008 0.000 0.566 259 Q CA 2.276 58.083 55.803 0.006 0.000 0.976 259 Q CB -2.260 26.480 28.738 0.004 0.000 2.346 259 Q HN 0.970 nan 8.270 nan 0.000 1.001 260 D N 2.072 122.477 120.400 0.008 0.000 2.934 260 D HA 0.279 4.920 4.640 0.002 0.000 0.237 260 D C 1.243 177.550 176.300 0.012 0.000 1.158 260 D CA 0.610 54.615 54.000 0.009 0.000 0.971 260 D CB -0.199 40.605 40.800 0.007 0.000 1.123 260 D HN 0.961 nan 8.370 nan 0.000 0.467 261 G N 1.281 110.089 108.800 0.014 0.000 2.300 261 G HA2 -0.405 3.556 3.960 0.002 0.000 0.267 261 G HA3 -0.405 3.556 3.960 0.002 0.000 0.267 261 G C 0.681 175.591 174.900 0.016 0.000 0.980 261 G CA 1.027 46.136 45.100 0.016 0.000 0.635 261 G HN 0.843 nan 8.290 nan 0.000 0.552 262 S N -1.137 114.571 115.700 0.014 0.000 2.598 262 S HA 0.555 5.026 4.470 0.002 0.000 0.256 262 S C 0.086 174.692 174.600 0.011 0.000 1.350 262 S CA 0.165 58.371 58.200 0.010 0.000 0.984 262 S CB 2.097 65.302 63.200 0.009 0.000 0.930 262 S HN 1.126 nan 8.310 nan 0.000 0.577 263 V N 0.947 120.858 119.914 -0.005 0.000 2.760 263 V HA 0.543 4.664 4.120 0.002 0.000 0.309 263 V C -0.095 175.977 176.094 -0.036 0.000 1.077 263 V CA -0.855 61.437 62.300 -0.013 0.000 0.910 263 V CB 1.893 33.689 31.823 -0.045 0.000 1.008 263 V HN 0.954 nan 8.190 nan 0.000 0.424 264 R N 2.276 122.781 120.500 0.008 0.000 2.294 264 R HA 0.689 5.030 4.340 0.002 0.000 0.319 264 R C 0.586 176.817 176.300 -0.116 0.000 0.984 264 R CA 0.910 57.014 56.100 0.006 0.000 0.861 264 R CB 1.206 31.599 30.300 0.154 0.000 1.104 264 R HN 1.222 nan 8.270 nan 0.000 0.451 265 G N 2.949 111.597 108.800 -0.253 0.000 2.513 265 G HA2 -0.249 3.712 3.960 0.002 0.000 0.227 265 G HA3 -0.249 3.712 3.960 0.002 0.000 0.227 265 G C -1.240 173.241 174.900 -0.699 0.000 1.176 265 G CA -0.035 44.821 45.100 -0.408 0.000 0.967 265 G HN 0.622 nan 8.290 nan 0.000 0.587 266 D N 1.860 122.002 120.400 -0.429 0.000 2.443 266 D HA 0.574 5.215 4.640 0.002 0.000 0.221 266 D C -1.080 175.114 176.300 -0.177 0.000 1.097 266 D CA -1.936 51.862 54.000 -0.337 0.000 0.865 266 D CB 1.460 42.349 40.800 0.148 0.000 1.034 266 D HN -0.022 nan 8.370 nan 0.000 0.511 267 P HA -0.146 nan 4.420 nan 0.000 0.218 267 P C 0.941 178.238 177.300 -0.006 0.000 1.146 267 P CA 1.069 64.122 63.100 -0.079 0.000 0.813 267 P CB 0.296 31.958 31.700 -0.063 0.000 0.778 268 A N -0.729 122.102 122.820 0.019 0.000 2.067 268 A HA -0.119 4.202 4.320 0.002 0.000 0.219 268 A C 1.552 179.178 177.584 0.070 0.000 1.158 268 A CA 1.327 53.406 52.037 0.071 0.000 0.661 268 A CB -0.849 18.212 19.000 0.102 0.000 0.801 268 A HN 0.158 nan 8.150 nan 0.000 0.452 269 N N -0.266 118.459 118.700 0.042 0.000 2.321 269 N HA 0.171 4.912 4.740 0.002 0.000 0.242 269 N C 1.024 176.530 175.510 -0.006 0.000 1.141 269 N CA 0.108 53.174 53.050 0.026 0.000 0.864 269 N CB 0.677 39.175 38.487 0.019 0.000 1.100 269 N HN 0.196 nan 8.380 nan 0.000 0.510 270 V N 0.865 120.781 119.914 0.003 0.000 2.261 270 V HA -0.232 3.889 4.120 0.002 0.000 0.246 270 V C 2.430 178.531 176.094 0.013 0.000 1.047 270 V CA 1.772 64.075 62.300 0.006 0.000 1.015 270 V CB -0.286 31.549 31.823 0.019 0.000 0.642 270 V HN 0.386 nan 8.190 nan 0.000 0.446 271 E N -0.312 119.897 120.200 0.015 0.000 2.038 271 E HA -0.282 4.069 4.350 0.002 0.000 0.195 271 E C 2.158 178.692 176.600 -0.111 0.000 1.000 271 E CA 1.933 58.319 56.400 -0.023 0.000 0.803 271 E CB -0.200 29.520 29.700 0.034 0.000 0.750 271 E HN 0.472 nan 8.360 nan 0.000 0.448 272 I N 0.790 121.305 120.570 -0.091 0.000 2.286 272 I HA -0.214 3.957 4.170 0.002 0.000 0.248 272 I C 2.121 178.188 176.117 -0.082 0.000 1.115 272 I CA 1.575 62.794 61.300 -0.135 0.000 1.392 272 I CB -0.415 37.558 38.000 -0.044 0.000 1.065 272 I HN 0.087 nan 8.210 nan 0.000 0.418 273 T N 0.398 114.934 114.554 -0.030 0.000 2.788 273 T HA -0.175 4.176 4.350 0.002 0.000 0.268 273 T C 1.731 176.514 174.700 0.138 0.000 1.044 273 T CA 1.778 63.906 62.100 0.046 0.000 1.139 273 T CB -0.245 68.658 68.868 0.058 0.000 0.867 273 T HN 0.493 nan 8.240 nan 0.000 0.454 274 E N 0.602 120.848 120.200 0.077 0.000 2.106 274 E HA -0.003 4.349 4.350 0.002 0.000 0.192 274 E C 2.230 178.872 176.600 0.069 0.000 0.984 274 E CA 0.687 57.138 56.400 0.085 0.000 0.806 274 E CB -0.224 29.500 29.700 0.040 0.000 0.750 274 E HN 0.407 nan 8.360 nan 0.000 0.458 275 L N 0.460 121.677 121.223 -0.010 0.000 2.046 275 L HA -0.228 4.113 4.340 0.002 0.000 0.208 275 L C 2.608 179.556 176.870 0.130 0.000 1.077 275 L CA 0.816 55.671 54.840 0.026 0.000 0.747 275 L CB -0.411 41.561 42.059 -0.146 0.000 0.896 275 L HN 0.314 nan 8.230 nan 0.000 0.432 276 C N -0.013 119.322 119.300 0.058 0.000 2.413 276 C HA -0.178 4.284 4.460 0.002 0.000 0.276 276 C C 2.717 177.875 174.990 0.280 0.000 1.236 276 C CA 0.529 59.597 59.018 0.084 0.000 1.735 276 C CB -0.689 27.014 27.740 -0.062 0.000 2.031 276 C HN 0.425 nan 8.230 nan 0.000 0.474 277 I N 0.780 121.553 120.570 0.339 0.000 2.208 277 I HA -0.301 3.870 4.170 0.002 0.000 0.245 277 I C 2.816 179.024 176.117 0.153 0.000 1.097 277 I CA 1.951 63.420 61.300 0.281 0.000 1.363 277 I CB -0.771 37.356 38.000 0.212 0.000 1.051 277 I HN 0.525 nan 8.210 nan 0.000 0.413 278 Q N 0.808 120.688 119.800 0.133 0.000 2.170 278 Q HA -0.236 4.105 4.340 0.002 0.000 0.203 278 Q C 0.896 176.872 176.000 -0.040 0.000 0.976 278 Q CA 1.644 57.472 55.803 0.041 0.000 0.858 278 Q CB -0.085 28.680 28.738 0.045 0.000 0.907 278 Q HN 0.573 nan 8.270 nan 0.000 0.433 279 H N -0.973 118.094 119.070 -0.006 0.000 2.704 279 H HA 0.309 4.866 4.556 0.002 0.000 0.315 279 H C 0.565 175.879 175.328 -0.025 0.000 1.117 279 H CA 0.584 56.603 56.048 -0.049 0.000 1.129 279 H CB 0.409 30.101 29.762 -0.116 0.000 1.439 279 H HN 0.522 nan 8.280 nan 0.000 0.528 280 G N -0.256 108.584 108.800 0.067 0.000 2.159 280 G HA2 -0.297 3.664 3.960 0.002 0.000 0.256 280 G HA3 -0.297 3.664 3.960 0.002 0.000 0.256 280 G C 0.132 175.097 174.900 0.108 0.000 0.977 280 G CA 0.100 45.228 45.100 0.047 0.000 0.652 280 G HN 0.484 nan 8.290 nan 0.000 0.531 281 W N 2.045 123.331 121.300 -0.022 0.000 2.238 281 W HA 0.618 5.279 4.660 0.002 0.000 0.321 281 W C 0.353 176.867 176.519 -0.008 0.000 1.293 281 W CA 0.168 57.502 57.345 -0.018 0.000 1.204 281 W CB 0.771 30.231 29.460 -0.000 0.000 1.167 281 W HN 0.044 nan 8.180 nan 0.000 0.553 282 T N 9.635 123.779 114.554 -0.682 0.000 2.863 282 T HA 0.149 4.500 4.350 0.002 0.000 0.299 282 T C -2.016 171.873 174.700 -1.351 0.000 0.973 282 T CA -0.872 60.801 62.100 -0.713 0.000 0.994 282 T CB -0.078 68.550 68.868 -0.400 0.000 0.961 282 T HN 0.239 nan 8.240 nan 0.000 0.552 283 P HA 0.191 nan 4.420 nan 0.000 0.269 283 P C 0.485 177.345 177.300 -0.733 0.000 1.217 283 P CA -0.109 62.201 63.100 -1.317 0.000 0.783 283 P CB 0.814 32.164 31.700 -0.583 0.000 0.898 284 G N 1.022 109.587 108.800 -0.392 0.000 2.736 284 G HA2 0.389 4.350 3.960 0.002 0.000 0.229 284 G HA3 0.389 4.350 3.960 0.002 0.000 0.229 284 G C -0.041 174.615 174.900 -0.407 0.000 1.380 284 G CA -0.597 44.402 45.100 -0.170 0.000 1.040 284 G HN 0.661 nan 8.290 nan 0.000 0.568 285 N N -1.475 117.153 118.700 -0.120 0.000 2.381 285 N HA 0.292 5.033 4.740 0.002 0.000 0.257 285 N C 0.216 175.813 175.510 0.145 0.000 1.409 285 N CA 0.076 53.047 53.050 -0.131 0.000 0.836 285 N CB 0.652 39.050 38.487 -0.148 0.000 1.384 285 N HN 0.695 nan 8.380 nan 0.000 0.490 286 G N -0.068 108.918 108.800 0.310 0.000 2.552 286 G HA2 0.401 4.362 3.960 0.002 0.000 0.318 286 G HA3 0.401 4.362 3.960 0.002 0.000 0.318 286 G C 0.363 175.373 174.900 0.183 0.000 1.240 286 G CA -0.842 44.396 45.100 0.230 0.000 1.002 286 G HN 0.124 nan 8.290 nan 0.000 0.493 287 R N -1.274 119.261 120.500 0.059 0.000 2.223 287 R HA 0.140 4.481 4.340 0.002 0.000 0.198 287 R C -0.106 175.828 176.300 -0.610 0.000 0.984 287 R CA 0.641 56.594 56.100 -0.245 0.000 1.018 287 R CB 0.196 30.309 30.300 -0.311 0.000 0.945 287 R HN 0.382 nan 8.270 nan 0.000 0.479 288 F N 1.064 120.953 119.950 -0.102 0.000 2.679 288 F HA 0.268 4.796 4.527 0.002 0.000 0.354 288 F C -0.632 175.114 175.800 -0.091 0.000 1.423 288 F CA -1.085 56.611 58.000 -0.506 0.000 1.141 288 F CB 0.584 39.103 39.000 -0.800 0.000 1.168 288 F HN -0.290 nan 8.300 nan 0.000 0.530 289 D N 1.653 122.197 120.400 0.240 0.000 2.316 289 D HA 0.171 4.812 4.640 0.002 0.000 0.245 289 D C 0.175 176.709 176.300 0.389 0.000 1.171 289 D CA 0.111 54.324 54.000 0.355 0.000 0.856 289 D CB 2.224 43.293 40.800 0.449 0.000 1.090 289 D HN -0.048 nan 8.370 nan 0.000 0.476 290 V N 4.226 124.350 119.914 0.350 0.000 2.493 290 V HA -0.027 4.094 4.120 0.002 0.000 0.292 290 V C 1.093 177.188 176.094 0.001 0.000 1.016 290 V CA -0.093 62.300 62.300 0.156 0.000 1.097 290 V CB 0.068 31.947 31.823 0.092 0.000 0.947 290 V HN 0.339 nan 8.190 nan 0.000 0.479 291 L N 8.249 129.371 121.223 -0.168 0.000 2.472 291 L HA 0.369 4.710 4.340 0.002 0.000 0.260 291 L C -1.708 174.911 176.870 -0.419 0.000 1.209 291 L CA -1.296 53.278 54.840 -0.443 0.000 0.817 291 L CB 0.813 42.641 42.059 -0.384 0.000 1.106 291 L HN 0.484 nan 8.230 nan 0.000 0.479 292 P HA 0.327 nan 4.420 nan 0.000 0.283 292 P C -1.282 175.872 177.300 -0.244 0.000 1.271 292 P CA -0.629 62.241 63.100 -0.384 0.000 0.841 292 P CB 1.353 32.728 31.700 -0.541 0.000 1.122 293 L N 1.092 122.263 121.223 -0.086 0.000 2.334 293 L HA 0.412 4.753 4.340 0.002 0.000 0.277 293 L C 0.469 177.328 176.870 -0.018 0.000 1.075 293 L CA -0.799 54.032 54.840 -0.015 0.000 0.804 293 L CB 0.631 42.744 42.059 0.090 0.000 1.174 293 L HN 0.207 nan 8.230 nan 0.000 0.438 294 L N 4.967 126.158 121.223 -0.054 0.000 2.313 294 L HA 0.431 4.772 4.340 0.002 0.000 0.273 294 L C -0.588 176.190 176.870 -0.154 0.000 1.028 294 L CA -0.273 54.446 54.840 -0.202 0.000 0.871 294 L CB 0.846 42.682 42.059 -0.373 0.000 1.242 294 L HN 0.444 nan 8.230 nan 0.000 0.434 295 L N 3.649 124.856 121.223 -0.028 0.000 2.289 295 L HA 0.460 4.801 4.340 0.002 0.000 0.285 295 L C -0.088 176.732 176.870 -0.083 0.000 1.049 295 L CA -0.263 54.570 54.840 -0.011 0.000 0.804 295 L CB 1.527 43.601 42.059 0.025 0.000 1.195 295 L HN 0.568 nan 8.230 nan 0.000 0.428 296 Q N 2.719 122.475 119.800 -0.073 0.000 2.325 296 Q HA 0.647 4.988 4.340 0.002 0.000 0.270 296 Q C -1.106 174.841 176.000 -0.087 0.000 1.020 296 Q CA -0.604 55.147 55.803 -0.086 0.000 0.785 296 Q CB 2.139 30.857 28.738 -0.034 0.000 1.259 296 Q HN 0.787 nan 8.270 nan 0.000 0.452 297 A N 5.022 127.743 122.820 -0.164 0.000 2.286 297 A HA 0.629 4.950 4.320 0.002 0.000 0.286 297 A C -2.397 174.928 177.584 -0.431 0.000 1.097 297 A CA -1.560 50.228 52.037 -0.415 0.000 0.821 297 A CB 0.083 18.939 19.000 -0.240 0.000 1.076 297 A HN 0.640 nan 8.150 nan 0.000 0.490 298 P HA -0.032 nan 4.420 nan 0.000 0.263 298 P C -0.460 176.736 177.300 -0.173 0.000 1.168 298 P CA 0.801 63.682 63.100 -0.365 0.000 0.759 298 P CB 0.139 31.612 31.700 -0.378 0.000 0.782 299 D N -0.323 120.026 120.400 -0.085 0.000 2.845 299 D HA -0.203 4.438 4.640 0.002 0.000 0.229 299 D C 0.050 176.334 176.300 -0.027 0.000 1.170 299 D CA 1.367 55.347 54.000 -0.032 0.000 0.717 299 D CB -0.409 40.375 40.800 -0.026 0.000 1.073 299 D HN 0.460 nan 8.370 nan 0.000 0.424 300 E N -0.700 119.474 120.200 -0.043 0.000 2.277 300 E HA 0.658 5.009 4.350 0.002 0.000 0.266 300 E C 0.020 176.604 176.600 -0.027 0.000 0.901 300 E CA -0.777 55.600 56.400 -0.038 0.000 0.782 300 E CB 1.672 31.334 29.700 -0.063 0.000 1.228 300 E HN 0.125 nan 8.360 nan 0.000 0.424 301 A N 3.264 126.070 122.820 -0.024 0.000 2.483 301 A HA 0.326 4.647 4.320 0.002 0.000 0.238 301 A C -1.948 175.552 177.584 -0.140 0.000 1.070 301 A CA -0.769 51.249 52.037 -0.032 0.000 0.770 301 A CB -0.543 18.456 19.000 -0.002 0.000 1.008 301 A HN 0.294 nan 8.150 nan 0.000 0.497 302 P HA 0.187 nan 4.420 nan 0.000 0.272 302 P C -0.630 176.456 177.300 -0.357 0.000 1.230 302 P CA 0.065 62.845 63.100 -0.534 0.000 0.788 302 P CB 0.715 31.626 31.700 -1.315 0.000 0.949 303 E N 0.342 120.380 120.200 -0.270 0.000 2.212 303 E HA 0.415 4.766 4.350 0.002 0.000 0.268 303 E C -0.852 175.520 176.600 -0.380 0.000 0.902 303 E CA -1.093 55.130 56.400 -0.295 0.000 0.779 303 E CB 1.653 31.202 29.700 -0.251 0.000 1.172 303 E HN 0.260 nan 8.360 nan 0.000 0.409 304 L N 3.138 124.060 121.223 -0.502 0.000 2.276 304 L HA 0.416 4.758 4.340 0.002 0.000 0.286 304 L C -1.576 174.879 176.870 -0.692 0.000 1.061 304 L CA 0.170 54.760 54.840 -0.416 0.000 0.807 304 L CB 0.056 41.971 42.059 -0.239 0.000 1.177 304 L HN 0.398 nan 8.230 nan 0.000 0.429 305 F N 4.228 123.977 119.950 -0.335 0.000 2.539 305 F HA 0.472 5.000 4.527 0.002 0.000 0.318 305 F C -0.236 175.334 175.800 -0.383 0.000 1.135 305 F CA -0.885 56.775 58.000 -0.568 0.000 0.915 305 F CB 1.859 40.188 39.000 -1.118 0.000 1.176 305 F HN 0.031 nan 8.300 nan 0.000 0.440 306 V N 4.775 124.616 119.914 -0.122 0.000 2.465 306 V HA 0.273 4.394 4.120 0.002 0.000 0.279 306 V C 0.151 176.347 176.094 0.170 0.000 1.045 306 V CA -0.667 61.646 62.300 0.021 0.000 0.938 306 V CB 1.378 33.240 31.823 0.065 0.000 0.986 306 V HN 0.532 nan 8.190 nan 0.000 0.467 307 L N 7.294 128.633 121.223 0.194 0.000 2.331 307 L HA 0.320 4.662 4.340 0.002 0.000 0.278 307 L C -2.126 174.843 176.870 0.165 0.000 1.106 307 L CA -1.577 53.410 54.840 0.245 0.000 0.824 307 L CB 0.791 42.926 42.059 0.127 0.000 1.142 307 L HN 0.445 nan 8.230 nan 0.000 0.443 308 P HA 0.037 nan 4.420 nan 0.000 0.261 308 P C -1.985 175.360 177.300 0.075 0.000 1.203 308 P CA -0.824 62.342 63.100 0.110 0.000 0.767 308 P CB 0.366 32.121 31.700 0.092 0.000 0.785 309 P HA -0.282 nan 4.420 nan 0.000 0.220 309 P C 1.424 178.752 177.300 0.047 0.000 1.155 309 P CA 1.546 64.684 63.100 0.064 0.000 0.880 309 P CB -0.169 31.571 31.700 0.068 0.000 0.790 310 E N -0.771 119.453 120.200 0.041 0.000 2.338 310 E HA -0.143 4.208 4.350 0.002 0.000 0.197 310 E C 1.651 178.264 176.600 0.022 0.000 1.007 310 E CA 1.040 57.456 56.400 0.028 0.000 0.849 310 E CB -1.006 28.709 29.700 0.024 0.000 0.774 310 E HN 0.231 nan 8.360 nan 0.000 0.506 311 L N 0.855 122.092 121.223 0.024 0.000 2.162 311 L HA 0.025 4.366 4.340 0.002 0.000 0.205 311 L C 1.080 177.959 176.870 0.016 0.000 1.086 311 L CA 0.655 55.503 54.840 0.013 0.000 0.778 311 L CB 0.128 42.187 42.059 0.001 0.000 0.928 311 L HN -0.106 nan 8.230 nan 0.000 0.446 312 V N 2.113 122.039 119.914 0.020 0.000 2.276 312 V HA 0.095 4.216 4.120 0.002 0.000 0.249 312 V C 0.181 176.299 176.094 0.040 0.000 1.160 312 V CA -0.712 61.598 62.300 0.016 0.000 1.042 312 V CB 0.056 31.879 31.823 -0.000 0.000 1.224 312 V HN 0.059 nan 8.190 nan 0.000 0.496 313 L N 5.022 126.273 121.223 0.047 0.000 2.455 313 L HA 0.323 4.664 4.340 0.002 0.000 0.272 313 L C 0.229 177.136 176.870 0.061 0.000 1.174 313 L CA 0.865 55.729 54.840 0.040 0.000 0.869 313 L CB 0.178 42.257 42.059 0.033 0.000 1.130 313 L HN 0.636 nan 8.230 nan 0.000 0.474 314 E N 3.188 123.402 120.200 0.023 0.000 2.369 314 E HA 0.585 4.936 4.350 0.002 0.000 0.270 314 E C -1.514 175.032 176.600 -0.091 0.000 0.909 314 E CA -1.040 55.374 56.400 0.024 0.000 0.775 314 E CB 2.404 32.147 29.700 0.072 0.000 1.270 314 E HN 0.380 nan 8.360 nan 0.000 0.445 315 V N 3.056 122.882 119.914 -0.146 0.000 2.407 315 V HA 0.330 4.452 4.120 0.002 0.000 0.291 315 V C -2.278 173.744 176.094 -0.120 0.000 1.018 315 V CA -1.802 60.344 62.300 -0.257 0.000 0.842 315 V CB 1.403 32.805 31.823 -0.703 0.000 0.996 315 V HN 0.535 nan 8.190 nan 0.000 0.426 316 P HA 0.305 nan 4.420 nan 0.000 0.280 316 P C -0.873 176.427 177.300 -0.000 0.000 1.244 316 P CA -0.207 62.854 63.100 -0.065 0.000 0.784 316 P CB 1.217 32.884 31.700 -0.055 0.000 0.913 317 L N 3.560 124.815 121.223 0.053 0.000 2.276 317 L HA 0.440 4.781 4.340 0.002 0.000 0.286 317 L C 1.147 178.183 176.870 0.276 0.000 1.061 317 L CA -0.212 54.735 54.840 0.178 0.000 0.807 317 L CB 0.602 42.832 42.059 0.285 0.000 1.177 317 L HN 0.515 nan 8.230 nan 0.000 0.429 318 E N 2.293 122.635 120.200 0.236 0.000 2.433 318 E HA 0.409 4.760 4.350 0.002 0.000 0.273 318 E C -1.436 175.202 176.600 0.064 0.000 0.950 318 E CA -0.929 55.622 56.400 0.250 0.000 0.796 318 E CB 2.352 32.156 29.700 0.174 0.000 1.330 318 E HN 0.500 nan 8.360 nan 0.000 0.455 319 H N 1.225 120.182 119.070 -0.188 0.000 2.492 319 H HA 0.246 4.803 4.556 0.002 0.000 0.345 319 H C -1.800 173.233 175.328 -0.491 0.000 1.136 319 H CA -2.242 53.536 56.048 -0.451 0.000 1.202 319 H CB 2.090 31.488 29.762 -0.607 0.000 1.524 319 H HN 0.405 nan 8.280 nan 0.000 0.506 320 P HA -0.149 nan 4.420 nan 0.000 0.217 320 P C 0.901 178.030 177.300 -0.286 0.000 1.148 320 P CA 2.015 64.610 63.100 -0.843 0.000 0.828 320 P CB 0.451 31.676 31.700 -0.791 0.000 0.783 321 T N -4.616 109.961 114.554 0.037 0.000 3.010 321 T HA 0.185 4.536 4.350 0.002 0.000 0.252 321 T C 0.913 175.590 174.700 -0.038 0.000 0.963 321 T CA -0.279 61.839 62.100 0.030 0.000 0.952 321 T CB -0.650 68.244 68.868 0.043 0.000 1.182 321 T HN -0.066 nan 8.240 nan 0.000 0.495 322 L N 3.942 125.067 121.223 -0.163 0.000 2.433 322 L HA 0.286 4.627 4.340 0.002 0.000 0.284 322 L C 1.936 178.468 176.870 -0.564 0.000 1.120 322 L CA -0.327 54.121 54.840 -0.653 0.000 0.879 322 L CB 0.376 41.583 42.059 -1.419 0.000 1.232 322 L HN 0.485 nan 8.230 nan 0.000 0.454 323 E N 4.517 124.538 120.200 -0.298 0.000 2.085 323 E HA -0.237 4.114 4.350 0.002 0.000 0.194 323 E C 1.599 178.152 176.600 -0.078 0.000 0.994 323 E CA 1.518 57.850 56.400 -0.112 0.000 0.801 323 E CB -0.207 29.505 29.700 0.020 0.000 0.743 323 E HN 0.834 nan 8.360 nan 0.000 0.453 324 W N 0.295 121.635 121.300 0.066 0.000 2.465 324 W HA -0.023 4.638 4.660 0.002 0.000 0.268 324 W C 1.561 178.124 176.519 0.073 0.000 1.242 324 W CA -0.076 57.300 57.345 0.052 0.000 1.248 324 W CB -1.026 28.446 29.460 0.019 0.000 1.118 324 W HN -0.033 nan 8.180 nan 0.000 0.587 325 F N 3.010 122.653 119.950 -0.511 0.000 2.091 325 F HA -0.200 4.328 4.527 0.002 0.000 0.299 325 F C 2.741 178.533 175.800 -0.013 0.000 1.103 325 F CA 3.241 61.066 58.000 -0.292 0.000 1.228 325 F CB -0.657 38.061 39.000 -0.470 0.000 0.984 325 F HN -0.072 nan 8.300 nan 0.000 0.477 326 A N 0.038 122.959 122.820 0.168 0.000 1.978 326 A HA -0.135 4.186 4.320 0.002 0.000 0.220 326 A C 2.309 179.923 177.584 0.049 0.000 1.170 326 A CA 1.628 53.739 52.037 0.123 0.000 0.636 326 A CB -1.486 17.576 19.000 0.103 0.000 0.810 326 A HN 0.485 nan 8.150 nan 0.000 0.448 327 A N -0.340 122.520 122.820 0.068 0.000 2.070 327 A HA 0.024 4.346 4.320 0.002 0.000 0.220 327 A C 1.928 179.528 177.584 0.026 0.000 1.159 327 A CA 1.211 53.286 52.037 0.064 0.000 0.656 327 A CB -0.560 18.508 19.000 0.113 0.000 0.800 327 A HN 0.505 nan 8.150 nan 0.000 0.453 328 L N -0.971 120.229 121.223 -0.038 0.000 2.456 328 L HA 0.010 4.352 4.340 0.002 0.000 0.224 328 L C 1.769 178.621 176.870 -0.030 0.000 1.148 328 L CA 0.548 55.342 54.840 -0.076 0.000 0.825 328 L CB -0.655 41.242 42.059 -0.271 0.000 0.937 328 L HN 0.575 nan 8.230 nan 0.000 0.450 329 G N 0.834 109.614 108.800 -0.032 0.000 2.225 329 G HA2 -0.291 3.670 3.960 0.002 0.000 0.267 329 G HA3 -0.291 3.670 3.960 0.002 0.000 0.267 329 G C 0.152 174.979 174.900 -0.122 0.000 1.024 329 G CA 0.034 45.114 45.100 -0.033 0.000 0.784 329 G HN 0.271 nan 8.290 nan 0.000 0.507 330 L N -0.354 120.787 121.223 -0.137 0.000 2.399 330 L HA 0.807 5.149 4.340 0.002 0.000 0.266 330 L C 1.051 177.697 176.870 -0.373 0.000 1.114 330 L CA -0.711 53.981 54.840 -0.248 0.000 0.804 330 L CB 1.057 43.111 42.059 -0.009 0.000 1.146 330 L HN 0.564 nan 8.230 nan 0.000 0.451 331 R N 1.501 121.596 120.500 -0.674 0.000 2.712 331 R HA 0.491 4.832 4.340 0.002 0.000 0.272 331 R C -2.200 174.061 176.300 -0.066 0.000 1.032 331 R CA -1.006 54.874 56.100 -0.367 0.000 0.874 331 R CB 1.755 31.767 30.300 -0.480 0.000 1.256 331 R HN 0.656 nan 8.270 nan 0.000 0.468 332 W N 2.090 123.373 121.300 -0.027 0.000 3.213 332 W HA 0.341 5.002 4.660 0.002 0.000 0.318 332 W C -1.164 175.456 176.519 0.168 0.000 1.248 332 W CA -0.994 56.431 57.345 0.132 0.000 1.187 332 W CB 1.936 31.374 29.460 -0.037 0.000 1.403 332 W HN 0.706 nan 8.180 nan 0.000 0.556 333 Y N 1.114 121.342 120.300 -0.120 0.000 2.299 333 Y HA 0.545 5.096 4.550 0.002 0.000 0.335 333 Y C 0.781 176.924 175.900 0.405 0.000 1.287 333 Y CA 0.178 58.307 58.100 0.048 0.000 1.424 333 Y CB 0.132 38.494 38.460 -0.163 0.000 1.326 333 Y HN 0.336 nan 8.280 nan 0.000 0.567 334 A N 1.658 124.776 122.820 0.496 0.000 1.984 334 A HA 0.106 4.427 4.320 0.002 0.000 0.214 334 A C 0.502 178.448 177.584 0.603 0.000 1.173 334 A CA 0.251 52.614 52.037 0.544 0.000 0.673 334 A CB -0.283 18.867 19.000 0.250 0.000 0.830 334 A HN 0.654 nan 8.150 nan 0.000 0.453 335 L N 2.297 123.835 121.223 0.525 0.000 2.259 335 L HA 0.398 4.739 4.340 0.002 0.000 0.288 335 L C -2.556 174.486 176.870 0.287 0.000 1.051 335 L CA -2.248 52.790 54.840 0.330 0.000 0.824 335 L CB 1.331 43.501 42.059 0.185 0.000 1.206 335 L HN -0.012 nan 8.230 nan 0.000 0.429 336 P HA 0.342 nan 4.420 nan 0.000 0.291 336 P C -1.428 175.794 177.300 -0.129 0.000 1.340 336 P CA -0.334 62.649 63.100 -0.195 0.000 0.799 336 P CB 1.345 32.479 31.700 -0.942 0.000 0.917 337 A N 4.542 127.294 122.820 -0.113 0.000 2.410 337 A HA 0.421 4.743 4.320 0.002 0.000 0.289 337 A C -0.259 177.124 177.584 -0.334 0.000 1.200 337 A CA -0.662 51.242 52.037 -0.220 0.000 0.751 337 A CB 0.950 19.841 19.000 -0.180 0.000 1.161 337 A HN 0.294 nan 8.150 nan 0.000 0.459 338 V N 2.700 122.259 119.914 -0.591 0.000 2.637 338 V HA 0.288 4.410 4.120 0.002 0.000 0.296 338 V C 1.165 176.907 176.094 -0.587 0.000 1.046 338 V CA 1.242 63.168 62.300 -0.623 0.000 1.066 338 V CB 1.285 32.560 31.823 -0.914 0.000 0.968 338 V HN 1.154 nan 8.190 nan 0.000 0.483 339 S N 1.230 116.763 115.700 -0.277 0.000 2.960 339 S HA 0.073 4.545 4.470 0.002 0.000 0.256 339 S C 0.712 175.301 174.600 -0.019 0.000 1.017 339 S CA -0.107 58.008 58.200 -0.140 0.000 1.144 339 S CB -0.110 63.038 63.200 -0.087 0.000 1.109 339 S HN 0.825 nan 8.310 nan 0.000 0.638 340 N N 1.065 119.757 118.700 -0.013 0.000 2.184 340 N HA 0.286 5.028 4.740 0.002 0.000 0.206 340 N C 0.065 175.634 175.510 0.098 0.000 1.151 340 N CA -0.274 52.807 53.050 0.051 0.000 0.878 340 N CB -0.098 38.419 38.487 0.050 0.000 1.014 340 N HN 0.367 nan 8.380 nan 0.000 0.512 341 M N 0.751 120.425 119.600 0.123 0.000 2.471 341 M HA 0.372 4.853 4.480 0.002 0.000 0.309 341 M C -0.470 175.982 176.300 0.253 0.000 1.186 341 M CA -0.857 54.572 55.300 0.215 0.000 1.008 341 M CB 2.241 35.013 32.600 0.288 0.000 1.551 341 M HN 0.028 nan 8.290 nan 0.000 0.477 342 L N 2.359 123.720 121.223 0.231 0.000 2.317 342 L HA 0.579 4.920 4.340 0.002 0.000 0.281 342 L C -1.512 175.469 176.870 0.185 0.000 1.024 342 L CA -0.973 53.983 54.840 0.193 0.000 0.810 342 L CB 1.411 43.531 42.059 0.102 0.000 1.240 342 L HN 0.591 nan 8.230 nan 0.000 0.427 343 L N 4.987 126.307 121.223 0.163 0.000 2.272 343 L HA 0.479 4.820 4.340 0.002 0.000 0.289 343 L C -0.586 176.296 176.870 0.019 0.000 1.032 343 L CA 0.226 55.035 54.840 -0.052 0.000 0.810 343 L CB 1.174 43.184 42.059 -0.081 0.000 1.205 343 L HN 0.632 nan 8.230 nan 0.000 0.422 344 E N 6.598 126.725 120.200 -0.122 0.000 2.145 344 E HA 0.424 4.775 4.350 0.002 0.000 0.270 344 E C -1.596 174.924 176.600 -0.134 0.000 0.906 344 E CA -0.438 55.913 56.400 -0.083 0.000 0.761 344 E CB 1.159 30.806 29.700 -0.089 0.000 1.116 344 E HN 0.721 nan 8.360 nan 0.000 0.408 345 I N 2.237 122.738 120.570 -0.115 0.000 2.499 345 I HA 0.281 4.452 4.170 0.002 0.000 0.288 345 I C 0.849 176.783 176.117 -0.306 0.000 1.048 345 I CA -0.842 60.279 61.300 -0.298 0.000 1.062 345 I CB 2.072 39.805 38.000 -0.445 0.000 1.238 345 I HN 0.762 nan 8.210 nan 0.000 0.426 346 G N 4.157 112.818 108.800 -0.232 0.000 2.379 346 G HA2 -0.120 3.841 3.960 0.002 0.000 0.297 346 G HA3 -0.120 3.841 3.960 0.002 0.000 0.297 346 G C 1.053 176.023 174.900 0.117 0.000 1.004 346 G CA 0.933 46.063 45.100 0.050 0.000 0.921 346 G HN 1.599 nan 8.290 nan 0.000 0.511 347 G N -1.959 106.853 108.800 0.021 0.000 2.284 347 G HA2 -0.253 3.708 3.960 0.002 0.000 0.247 347 G HA3 -0.253 3.708 3.960 0.002 0.000 0.247 347 G C 0.566 175.408 174.900 -0.095 0.000 1.012 347 G CA 0.458 45.563 45.100 0.009 0.000 0.618 347 G HN 1.283 nan 8.290 nan 0.000 0.521 348 L N 0.866 121.975 121.223 -0.190 0.000 2.395 348 L HA 0.582 4.923 4.340 0.002 0.000 0.269 348 L C 0.401 177.027 176.870 -0.407 0.000 1.133 348 L CA -0.255 54.350 54.840 -0.391 0.000 0.812 348 L CB 0.949 42.679 42.059 -0.547 0.000 1.125 348 L HN 0.196 nan 8.230 nan 0.000 0.452 349 E N 2.143 122.018 120.200 -0.542 0.000 2.176 349 E HA 0.394 4.745 4.350 0.002 0.000 0.267 349 E C -1.515 174.711 176.600 -0.624 0.000 0.893 349 E CA -0.457 55.699 56.400 -0.407 0.000 0.761 349 E CB 1.799 31.373 29.700 -0.210 0.000 1.133 349 E HN 0.266 nan 8.360 nan 0.000 0.409 350 F N 1.929 121.844 119.950 -0.059 0.000 2.307 350 F HA 0.107 4.635 4.527 0.002 0.000 0.369 350 F C 1.430 177.260 175.800 0.050 0.000 1.076 350 F CA -0.520 57.471 58.000 -0.015 0.000 1.149 350 F CB 1.163 40.136 39.000 -0.045 0.000 1.410 350 F HN 0.421 nan 8.300 nan 0.000 0.481 351 S N 1.195 116.986 115.700 0.150 0.000 2.474 351 S HA 0.176 4.647 4.470 0.002 0.000 0.235 351 S C 0.839 175.566 174.600 0.211 0.000 0.997 351 S CA 0.419 58.712 58.200 0.155 0.000 0.949 351 S CB 0.025 63.297 63.200 0.120 0.000 0.766 351 S HN 0.494 nan 8.310 nan 0.000 0.517 352 A N 0.510 123.498 122.820 0.281 0.000 2.605 352 A HA 0.815 5.136 4.320 0.002 0.000 0.293 352 A C -0.223 177.607 177.584 0.409 0.000 1.216 352 A CA -0.167 52.066 52.037 0.326 0.000 0.742 352 A CB 0.807 19.993 19.000 0.309 0.000 1.170 352 A HN 0.907 nan 8.150 nan 0.000 0.443 353 A N 4.116 127.124 122.820 0.314 0.000 3.300 353 A HA 0.661 4.982 4.320 0.002 0.000 0.300 353 A C -2.963 174.769 177.584 0.248 0.000 1.099 353 A CA -1.090 51.096 52.037 0.247 0.000 0.846 353 A CB 0.464 19.610 19.000 0.244 0.000 1.255 353 A HN 0.498 nan 8.150 nan 0.000 0.519 354 P HA 0.366 nan 4.420 nan 0.000 0.268 354 P C -0.821 176.496 177.300 0.029 0.000 1.204 354 P CA 0.497 63.558 63.100 -0.066 0.000 0.768 354 P CB 0.218 31.834 31.700 -0.140 0.000 0.842 355 F N 0.021 119.930 119.950 -0.068 0.000 2.576 355 F HA 0.757 5.285 4.527 0.002 0.000 0.313 355 F C -0.623 175.104 175.800 -0.122 0.000 1.078 355 F CA -1.212 56.745 58.000 -0.072 0.000 0.921 355 F CB 1.682 40.524 39.000 -0.264 0.000 1.232 355 F HN 0.395 nan 8.300 nan 0.000 0.459 356 S N 0.691 116.485 115.700 0.158 0.000 2.564 356 S HA 0.955 5.426 4.470 0.002 0.000 0.274 356 S C -0.711 173.849 174.600 -0.066 0.000 1.124 356 S CA -0.162 58.061 58.200 0.037 0.000 0.869 356 S CB 1.543 64.831 63.200 0.146 0.000 1.105 356 S HN 1.429 nan 8.310 nan 0.000 0.472 357 G N 0.048 108.765 108.800 -0.139 0.000 3.359 357 G HA2 0.725 4.686 3.960 0.002 0.000 0.187 357 G HA3 0.725 4.686 3.960 0.002 0.000 0.187 357 G C -1.510 173.389 174.900 -0.001 0.000 1.294 357 G CA -0.346 44.602 45.100 -0.253 0.000 0.769 357 G HN 1.126 nan 8.290 nan 0.000 0.733 358 W N -1.355 119.950 121.300 0.008 0.000 3.107 358 W HA 0.802 5.463 4.660 0.002 0.000 0.331 358 W C -1.721 174.809 176.519 0.018 0.000 1.204 358 W CA -2.236 55.135 57.345 0.044 0.000 1.184 358 W CB 0.406 29.928 29.460 0.102 0.000 1.421 358 W HN 0.384 nan 8.180 nan 0.000 0.544 359 Y N 2.806 123.293 120.300 0.312 0.000 2.397 359 Y HA 0.257 4.808 4.550 0.002 0.000 0.335 359 Y C 0.834 176.790 175.900 0.093 0.000 1.213 359 Y CA -0.459 57.708 58.100 0.111 0.000 1.391 359 Y CB 1.054 39.485 38.460 -0.049 0.000 1.293 359 Y HN 0.477 nan 8.280 nan 0.000 0.557 360 M N 2.228 121.978 119.600 0.250 0.000 2.238 360 M HA 0.194 4.676 4.480 0.002 0.000 0.350 360 M C 1.054 177.346 176.300 -0.013 0.000 1.138 360 M CA -0.308 55.066 55.300 0.123 0.000 1.040 360 M CB 1.161 33.813 32.600 0.087 0.000 1.639 360 M HN 0.852 nan 8.290 nan 0.000 0.451 361 S N 1.270 116.923 115.700 -0.079 0.000 2.380 361 S HA -0.219 4.252 4.470 0.002 0.000 0.229 361 S C 1.534 175.991 174.600 -0.238 0.000 1.043 361 S CA 2.297 60.377 58.200 -0.201 0.000 1.038 361 S CB -1.494 61.630 63.200 -0.125 0.000 0.872 361 S HN 0.930 nan 8.310 nan 0.000 0.456 362 T N 0.147 114.582 114.554 -0.198 0.000 2.929 362 T HA -0.048 4.303 4.350 0.002 0.000 0.271 362 T C 1.515 176.050 174.700 -0.275 0.000 1.085 362 T CA 1.296 63.228 62.100 -0.279 0.000 1.125 362 T CB -0.578 68.080 68.868 -0.349 0.000 0.874 362 T HN 0.618 nan 8.240 nan 0.000 0.494 363 E N 0.731 120.788 120.200 -0.239 0.000 2.106 363 E HA 0.009 4.360 4.350 0.002 0.000 0.192 363 E C 2.002 178.324 176.600 -0.462 0.000 0.984 363 E CA 1.208 57.464 56.400 -0.239 0.000 0.806 363 E CB -0.211 29.482 29.700 -0.012 0.000 0.750 363 E HN 0.602 nan 8.360 nan 0.000 0.458 364 I N 0.042 120.216 120.570 -0.660 0.000 2.364 364 I HA -0.031 4.140 4.170 0.002 0.000 0.241 364 I C 2.570 178.341 176.117 -0.577 0.000 1.082 364 I CA 0.832 61.578 61.300 -0.924 0.000 1.401 364 I CB -0.488 36.884 38.000 -1.046 0.000 1.126 364 I HN 0.093 nan 8.210 nan 0.000 0.429 365 G N 0.222 108.779 108.800 -0.404 0.000 2.422 365 G HA2 -0.176 3.785 3.960 0.002 0.000 0.218 365 G HA3 -0.176 3.785 3.960 0.002 0.000 0.218 365 G C 1.615 176.393 174.900 -0.203 0.000 1.146 365 G CA 1.600 46.551 45.100 -0.248 0.000 0.769 365 G HN 0.297 nan 8.290 nan 0.000 0.547 366 T N -0.310 114.099 114.554 -0.241 0.000 3.053 366 T HA 0.112 4.464 4.350 0.002 0.000 0.236 366 T C 2.535 177.120 174.700 -0.191 0.000 0.996 366 T CA 0.201 62.181 62.100 -0.200 0.000 1.185 366 T CB 0.102 68.834 68.868 -0.227 0.000 0.892 366 T HN 0.006 nan 8.240 nan 0.000 0.432 367 R N 1.957 122.320 120.500 -0.228 0.000 2.055 367 R HA 0.167 4.508 4.340 0.002 0.000 0.226 367 R C 2.142 178.313 176.300 -0.215 0.000 1.135 367 R CA 1.026 57.001 56.100 -0.208 0.000 0.959 367 R CB -1.081 29.093 30.300 -0.210 0.000 0.854 367 R HN 0.323 nan 8.270 nan 0.000 0.431 368 N N 0.938 119.454 118.700 -0.306 0.000 2.142 368 N HA -0.071 4.670 4.740 0.002 0.000 0.186 368 N C 1.973 177.386 175.510 -0.162 0.000 1.023 368 N CA 1.050 53.906 53.050 -0.323 0.000 0.852 368 N CB -0.194 37.776 38.487 -0.861 0.000 0.998 368 N HN 0.177 nan 8.380 nan 0.000 0.424 369 L N -0.743 120.349 121.223 -0.218 0.000 2.249 369 L HA 0.083 4.425 4.340 0.002 0.000 0.207 369 L C 1.443 178.338 176.870 0.041 0.000 1.090 369 L CA 0.402 55.218 54.840 -0.041 0.000 0.802 369 L CB 0.169 42.185 42.059 -0.072 0.000 0.947 369 L HN 0.143 nan 8.230 nan 0.000 0.453 370 C N -1.317 117.967 119.300 -0.028 0.000 2.926 370 C HA 0.159 4.620 4.460 0.002 0.000 0.272 370 C C 0.715 175.694 174.990 -0.018 0.000 1.249 370 C CA -0.883 58.132 59.018 -0.005 0.000 1.691 370 C CB -0.463 27.259 27.740 -0.030 0.000 1.983 370 C HN 0.298 nan 8.230 nan 0.000 0.615 371 D N 2.729 123.090 120.400 -0.065 0.000 2.443 371 D HA 0.057 4.698 4.640 0.002 0.000 0.239 371 D C -1.058 175.238 176.300 -0.006 0.000 1.136 371 D CA -1.386 52.566 54.000 -0.080 0.000 0.879 371 D CB 0.703 41.313 40.800 -0.318 0.000 1.195 371 D HN 0.180 nan 8.370 nan 0.000 0.443 372 P HA -0.149 nan 4.420 nan 0.000 0.218 372 P C 0.652 178.047 177.300 0.160 0.000 1.149 372 P CA 1.275 64.458 63.100 0.138 0.000 0.817 372 P CB 0.025 31.813 31.700 0.147 0.000 0.785 373 H N -2.104 116.972 119.070 0.010 0.000 2.519 373 H HA 0.367 4.924 4.556 0.002 0.000 0.289 373 H C 0.899 176.229 175.328 0.003 0.000 1.040 373 H CA -0.325 55.726 56.048 0.004 0.000 1.165 373 H CB -0.113 29.652 29.762 0.006 0.000 1.462 373 H HN -0.027 nan 8.280 nan 0.000 0.555 374 R N -0.256 120.148 120.500 -0.160 0.000 3.066 374 R HA 0.185 4.526 4.340 0.002 0.000 0.143 374 R C 1.031 177.286 176.300 -0.076 0.000 1.187 374 R CA -0.730 55.300 56.100 -0.116 0.000 0.722 374 R CB -0.829 29.422 30.300 -0.083 0.000 1.366 374 R HN 0.084 nan 8.270 nan 0.000 0.421 375 Y N 1.612 121.909 120.300 -0.005 0.000 2.421 375 Y HA -0.110 4.441 4.550 0.002 0.000 0.292 375 Y C 0.729 176.646 175.900 0.028 0.000 1.136 375 Y CA 1.098 59.212 58.100 0.022 0.000 1.255 375 Y CB -0.413 38.091 38.460 0.074 0.000 0.991 375 Y HN 0.509 nan 8.280 nan 0.000 0.552 376 N N 0.754 119.536 118.700 0.138 0.000 2.678 376 N HA -0.234 4.507 4.740 0.002 0.000 0.268 376 N C 0.387 175.978 175.510 0.135 0.000 1.010 376 N CA 0.806 53.921 53.050 0.107 0.000 0.784 376 N CB -1.255 37.278 38.487 0.077 0.000 0.905 376 N HN 0.666 nan 8.380 nan 0.000 0.552 377 I N -3.282 117.383 120.570 0.158 0.000 3.793 377 I HA 0.073 4.244 4.170 0.002 0.000 0.315 377 I C 1.564 177.784 176.117 0.172 0.000 1.275 377 I CA -0.384 61.013 61.300 0.161 0.000 1.214 377 I CB -0.087 38.016 38.000 0.171 0.000 1.018 377 I HN 0.118 nan 8.210 nan 0.000 0.439 378 L N 1.946 123.276 121.223 0.177 0.000 1.997 378 L HA -0.275 4.066 4.340 0.002 0.000 0.216 378 L C 2.611 179.696 176.870 0.359 0.000 1.074 378 L CA 2.282 57.260 54.840 0.230 0.000 0.763 378 L CB -1.076 41.080 42.059 0.161 0.000 0.890 378 L HN 0.516 nan 8.230 nan 0.000 0.434 379 E N -1.093 119.319 120.200 0.354 0.000 2.051 379 E HA -0.240 4.111 4.350 0.002 0.000 0.192 379 E C 1.793 178.450 176.600 0.094 0.000 0.991 379 E CA 1.406 57.952 56.400 0.244 0.000 0.799 379 E CB 0.012 29.784 29.700 0.121 0.000 0.748 379 E HN 0.510 nan 8.360 nan 0.000 0.449 380 D N 0.052 120.506 120.400 0.091 0.000 2.104 380 D HA -0.164 4.477 4.640 0.002 0.000 0.194 380 D C 2.076 178.402 176.300 0.043 0.000 0.994 380 D CA 1.266 55.289 54.000 0.038 0.000 0.830 380 D CB -0.278 40.552 40.800 0.051 0.000 0.959 380 D HN 0.132 nan 8.370 nan 0.000 0.452 381 V N 1.430 121.432 119.914 0.146 0.000 2.407 381 V HA -0.212 3.909 4.120 0.002 0.000 0.248 381 V C 2.511 178.719 176.094 0.189 0.000 1.055 381 V CA 1.657 64.106 62.300 0.250 0.000 1.049 381 V CB -0.732 31.315 31.823 0.373 0.000 0.662 381 V HN 0.176 nan 8.190 nan 0.000 0.455 382 A N -0.137 122.796 122.820 0.187 0.000 1.873 382 A HA -0.138 4.183 4.320 0.002 0.000 0.215 382 A C 2.375 179.936 177.584 -0.038 0.000 1.186 382 A CA 1.956 54.090 52.037 0.162 0.000 0.616 382 A CB -0.649 18.528 19.000 0.295 0.000 0.823 382 A HN 0.330 nan 8.150 nan 0.000 0.442 383 V N -0.845 118.999 119.914 -0.117 0.000 2.407 383 V HA -0.293 3.828 4.120 0.002 0.000 0.248 383 V C 2.580 178.513 176.094 -0.270 0.000 1.055 383 V CA 1.919 64.107 62.300 -0.187 0.000 1.049 383 V CB -1.013 30.705 31.823 -0.174 0.000 0.662 383 V HN 0.711 nan 8.190 nan 0.000 0.455 384 C N -0.518 118.558 119.300 -0.373 0.000 2.435 384 C HA -0.084 4.377 4.460 0.002 0.000 0.279 384 C C 2.590 177.053 174.990 -0.879 0.000 1.321 384 C CA 0.839 59.369 59.018 -0.812 0.000 1.752 384 C CB -0.913 26.082 27.740 -1.241 0.000 1.959 384 C HN 0.518 nan 8.230 nan 0.000 0.500 385 M N 0.279 119.642 119.600 -0.394 0.000 2.618 385 M HA 0.024 4.505 4.480 0.002 0.000 0.240 385 M C 0.532 176.785 176.300 -0.078 0.000 1.123 385 M CA 0.783 56.040 55.300 -0.073 0.000 1.060 385 M CB -0.378 32.320 32.600 0.163 0.000 1.535 385 M HN 0.266 nan 8.290 nan 0.000 0.507 386 D N 1.647 121.952 120.400 -0.158 0.000 2.699 386 D HA -0.166 4.475 4.640 0.002 0.000 0.239 386 D C -0.963 175.298 176.300 -0.065 0.000 1.136 386 D CA 0.544 54.472 54.000 -0.120 0.000 0.668 386 D CB -1.029 39.709 40.800 -0.103 0.000 1.060 386 D HN 0.320 nan 8.370 nan 0.000 0.429 387 L N -0.166 121.024 121.223 -0.054 0.000 2.431 387 L HA 0.365 4.706 4.340 0.002 0.000 0.260 387 L C 1.089 177.903 176.870 -0.093 0.000 1.098 387 L CA -0.821 54.014 54.840 -0.008 0.000 0.800 387 L CB 0.621 42.744 42.059 0.106 0.000 1.210 387 L HN -0.001 nan 8.230 nan 0.000 0.465 388 D N 0.655 121.026 120.400 -0.048 0.000 2.470 388 D HA 0.010 4.651 4.640 0.002 0.000 0.226 388 D C 0.901 177.036 176.300 -0.275 0.000 1.196 388 D CA -0.102 53.835 54.000 -0.105 0.000 0.979 388 D CB 0.762 41.557 40.800 -0.008 0.000 1.059 388 D HN 0.610 nan 8.370 nan 0.000 0.515 389 T N 0.538 114.751 114.554 -0.570 0.000 3.252 389 T HA 0.078 4.430 4.350 0.002 0.000 0.250 389 T C 1.491 175.902 174.700 -0.481 0.000 1.123 389 T CA -0.025 61.397 62.100 -1.130 0.000 1.006 389 T CB 0.006 68.111 68.868 -1.272 0.000 0.992 389 T HN 0.250 nan 8.240 nan 0.000 0.547 390 R N 0.475 120.842 120.500 -0.221 0.000 2.115 390 R HA 0.138 4.479 4.340 0.002 0.000 0.226 390 R C 1.075 177.386 176.300 0.019 0.000 1.100 390 R CA 0.878 56.928 56.100 -0.083 0.000 0.980 390 R CB -0.070 30.197 30.300 -0.055 0.000 0.875 390 R HN 0.391 nan 8.270 nan 0.000 0.445 391 T N -1.535 113.075 114.554 0.093 0.000 2.900 391 T HA 0.116 4.468 4.350 0.002 0.000 0.303 391 T C 1.060 175.942 174.700 0.303 0.000 1.142 391 T CA -0.449 61.750 62.100 0.165 0.000 1.007 391 T CB 1.845 70.773 68.868 0.101 0.000 1.156 391 T HN 0.212 nan 8.240 nan 0.000 0.490 392 T N 0.573 115.260 114.554 0.223 0.000 2.746 392 T HA -0.107 4.244 4.350 0.002 0.000 0.267 392 T C 2.128 176.884 174.700 0.093 0.000 1.039 392 T CA 1.882 64.071 62.100 0.148 0.000 1.142 392 T CB -0.895 68.011 68.868 0.064 0.000 0.866 392 T HN 0.718 nan 8.240 nan 0.000 0.444 393 S N 2.335 118.089 115.700 0.090 0.000 2.493 393 S HA -0.121 4.350 4.470 0.002 0.000 0.243 393 S C 2.162 176.811 174.600 0.081 0.000 0.991 393 S CA 1.101 59.339 58.200 0.064 0.000 0.957 393 S CB -1.005 62.227 63.200 0.054 0.000 0.756 393 S HN 0.814 nan 8.310 nan 0.000 0.521 394 S N 1.700 117.485 115.700 0.142 0.000 2.522 394 S HA 0.214 4.686 4.470 0.002 0.000 0.227 394 S C 0.951 175.636 174.600 0.142 0.000 0.986 394 S CA 0.283 58.575 58.200 0.154 0.000 0.929 394 S CB -0.978 62.346 63.200 0.208 0.000 0.769 394 S HN 0.645 nan 8.310 nan 0.000 0.529 395 L N 0.669 121.942 121.223 0.083 0.000 3.717 395 L HA -0.173 4.168 4.340 0.002 0.000 0.414 395 L C 1.606 178.473 176.870 -0.005 0.000 1.228 395 L CA 0.653 55.478 54.840 -0.025 0.000 0.918 395 L CB -2.583 39.474 42.059 -0.003 0.000 1.865 395 L HN 0.718 nan 8.230 nan 0.000 0.922 396 W N -0.003 121.310 121.300 0.021 0.000 2.363 396 W HA -0.122 4.539 4.660 0.001 0.000 0.296 396 W C 1.746 178.286 176.519 0.034 0.000 1.212 396 W CA 1.305 58.666 57.345 0.027 0.000 1.260 396 W CB -0.723 28.749 29.460 0.021 0.000 1.131 396 W HN 0.281 nan 8.180 nan 0.000 0.530 397 K N 1.143 121.041 120.400 -0.836 0.000 2.026 397 K HA -0.172 4.149 4.320 0.002 0.000 0.208 397 K C 1.533 177.972 176.600 -0.268 0.000 1.048 397 K CA 2.423 58.277 56.287 -0.722 0.000 0.929 397 K CB -0.419 31.528 32.500 -0.921 0.000 0.713 397 K HN 0.055 nan 8.250 nan 0.000 0.439 398 D N 0.647 120.917 120.400 -0.217 0.000 2.144 398 D HA -0.127 4.514 4.640 0.002 0.000 0.199 398 D C 1.696 177.979 176.300 -0.029 0.000 0.984 398 D CA 1.195 55.133 54.000 -0.104 0.000 0.834 398 D CB 0.036 40.786 40.800 -0.083 0.000 0.955 398 D HN 0.144 nan 8.370 nan 0.000 0.465 399 K N 0.493 120.900 120.400 0.012 0.000 2.025 399 K HA 0.009 4.330 4.320 0.002 0.000 0.207 399 K C 2.235 178.897 176.600 0.103 0.000 1.049 399 K CA 1.121 57.451 56.287 0.072 0.000 0.933 399 K CB -0.158 32.409 32.500 0.112 0.000 0.714 399 K HN 0.093 nan 8.250 nan 0.000 0.438 400 A N 1.609 124.510 122.820 0.136 0.000 1.930 400 A HA -0.082 4.239 4.320 0.002 0.000 0.217 400 A C 2.379 180.040 177.584 0.128 0.000 1.175 400 A CA 1.694 53.842 52.037 0.184 0.000 0.627 400 A CB -0.634 18.518 19.000 0.253 0.000 0.815 400 A HN 0.328 nan 8.150 nan 0.000 0.443 401 A N -0.326 122.525 122.820 0.052 0.000 1.883 401 A HA -0.082 4.239 4.320 0.002 0.000 0.217 401 A C 2.226 179.814 177.584 0.007 0.000 1.186 401 A CA 2.025 54.066 52.037 0.007 0.000 0.624 401 A CB -1.053 17.916 19.000 -0.052 0.000 0.822 401 A HN 0.446 nan 8.150 nan 0.000 0.444 402 V N 0.268 120.194 119.914 0.020 0.000 2.343 402 V HA -0.210 3.912 4.120 0.002 0.000 0.247 402 V C 2.521 178.636 176.094 0.034 0.000 1.051 402 V CA 2.096 64.412 62.300 0.026 0.000 1.036 402 V CB -0.779 31.070 31.823 0.043 0.000 0.654 402 V HN 0.510 nan 8.190 nan 0.000 0.451 403 E N 0.045 120.291 120.200 0.076 0.000 2.106 403 E HA -0.108 4.243 4.350 0.002 0.000 0.192 403 E C 2.135 178.738 176.600 0.006 0.000 0.984 403 E CA 1.168 57.633 56.400 0.108 0.000 0.806 403 E CB -0.265 29.531 29.700 0.160 0.000 0.750 403 E HN 0.594 nan 8.360 nan 0.000 0.458 404 I N 1.140 121.734 120.570 0.040 0.000 2.315 404 I HA -0.254 3.917 4.170 0.002 0.000 0.248 404 I C 1.662 177.732 176.117 -0.078 0.000 1.117 404 I CA 0.958 62.269 61.300 0.019 0.000 1.404 404 I CB -0.287 37.806 38.000 0.154 0.000 1.071 404 I HN 0.032 nan 8.210 nan 0.000 0.419 405 N N 0.644 119.301 118.700 -0.071 0.000 2.188 405 N HA -0.154 4.587 4.740 0.002 0.000 0.184 405 N C 1.677 177.125 175.510 -0.103 0.000 1.018 405 N CA 0.776 53.767 53.050 -0.099 0.000 0.858 405 N CB -0.150 38.287 38.487 -0.083 0.000 0.989 405 N HN 0.136 nan 8.380 nan 0.000 0.426 406 L N 0.925 122.081 121.223 -0.112 0.000 1.994 406 L HA -0.056 4.285 4.340 0.002 0.000 0.208 406 L C 2.061 178.793 176.870 -0.230 0.000 1.071 406 L CA 1.547 56.289 54.840 -0.162 0.000 0.745 406 L CB -1.003 40.927 42.059 -0.215 0.000 0.892 406 L HN 0.168 nan 8.230 nan 0.000 0.431 407 A N -1.080 121.530 122.820 -0.350 0.000 1.892 407 A HA -0.225 4.096 4.320 0.002 0.000 0.218 407 A C 2.284 179.792 177.584 -0.128 0.000 1.188 407 A CA 2.425 54.229 52.037 -0.387 0.000 0.631 407 A CB -1.295 17.209 19.000 -0.827 0.000 0.822 407 A HN 0.322 nan 8.150 nan 0.000 0.447 408 V N -0.054 119.798 119.914 -0.104 0.000 2.287 408 V HA -0.304 3.817 4.120 0.002 0.000 0.248 408 V C 2.599 178.694 176.094 0.001 0.000 1.053 408 V CA 2.174 64.455 62.300 -0.031 0.000 1.027 408 V CB -0.832 30.892 31.823 -0.165 0.000 0.646 408 V HN 0.577 nan 8.190 nan 0.000 0.447 409 L N -0.706 120.484 121.223 -0.056 0.000 2.017 409 L HA -0.228 4.113 4.340 0.002 0.000 0.208 409 L C 2.615 179.503 176.870 0.031 0.000 1.073 409 L CA 2.183 57.008 54.840 -0.024 0.000 0.745 409 L CB -0.812 41.229 42.059 -0.030 0.000 0.894 409 L HN 0.486 nan 8.230 nan 0.000 0.432 410 H N -0.247 118.776 119.070 -0.078 0.000 2.290 410 H HA -0.166 4.391 4.556 0.002 0.000 0.298 410 H C 2.369 177.687 175.328 -0.018 0.000 1.087 410 H CA 2.102 58.099 56.048 -0.084 0.000 1.291 410 H CB -0.123 29.528 29.762 -0.185 0.000 1.369 410 H HN 0.151 nan 8.280 nan 0.000 0.492 411 S N -0.297 115.343 115.700 -0.100 0.000 2.353 411 S HA -0.178 4.293 4.470 0.002 0.000 0.222 411 S C 2.107 176.680 174.600 -0.045 0.000 1.035 411 S CA 1.525 59.669 58.200 -0.094 0.000 1.025 411 S CB -0.686 62.560 63.200 0.077 0.000 0.902 411 S HN 0.405 nan 8.310 nan 0.000 0.440 412 F N 1.870 121.754 119.950 -0.109 0.000 2.134 412 F HA -0.154 4.375 4.527 0.002 0.000 0.299 412 F C 2.798 178.539 175.800 -0.098 0.000 1.097 412 F CA 1.156 59.115 58.000 -0.069 0.000 1.264 412 F CB -0.308 38.677 39.000 -0.025 0.000 1.001 412 F HN 0.233 nan 8.300 nan 0.000 0.479 413 Q N -0.404 119.426 119.800 0.051 0.000 2.167 413 Q HA -0.202 4.139 4.340 0.002 0.000 0.202 413 Q C 2.123 178.058 176.000 -0.108 0.000 0.970 413 Q CA 1.186 56.970 55.803 -0.033 0.000 0.855 413 Q CB -0.318 28.393 28.738 -0.046 0.000 0.911 413 Q HN 0.379 nan 8.270 nan 0.000 0.438 414 L N 0.364 121.461 121.223 -0.209 0.000 2.093 414 L HA -0.032 4.309 4.340 0.002 0.000 0.208 414 L C 1.925 178.708 176.870 -0.146 0.000 1.085 414 L CA 1.687 56.393 54.840 -0.223 0.000 0.755 414 L CB -0.407 41.434 42.059 -0.363 0.000 0.904 414 L HN 0.096 nan 8.230 nan 0.000 0.435 415 A N -1.438 121.292 122.820 -0.151 0.000 2.238 415 A HA 0.037 4.358 4.320 0.002 0.000 0.208 415 A C 0.670 178.189 177.584 -0.108 0.000 1.177 415 A CA 0.002 51.954 52.037 -0.142 0.000 0.804 415 A CB -0.354 18.518 19.000 -0.212 0.000 0.823 415 A HN 0.371 nan 8.150 nan 0.000 0.482 416 K N -0.911 119.439 120.400 -0.083 0.000 3.150 416 K HA -0.127 4.194 4.320 0.002 0.000 0.267 416 K C -0.725 175.848 176.600 -0.045 0.000 1.028 416 K CA 0.754 57.006 56.287 -0.057 0.000 0.753 416 K CB -2.524 29.942 32.500 -0.056 0.000 1.288 416 K HN 0.289 nan 8.250 nan 0.000 0.473 417 V N 0.957 120.860 119.914 -0.018 0.000 2.540 417 V HA 0.205 4.326 4.120 0.002 0.000 0.302 417 V C 0.732 176.923 176.094 0.161 0.000 1.035 417 V CA -0.774 61.551 62.300 0.042 0.000 0.873 417 V CB 2.134 33.920 31.823 -0.062 0.000 0.992 417 V HN 0.318 nan 8.190 nan 0.000 0.428 418 T N 6.060 120.671 114.554 0.094 0.000 2.934 418 T HA 0.426 4.777 4.350 0.002 0.000 0.306 418 T C -0.260 174.517 174.700 0.128 0.000 1.042 418 T CA 0.869 62.954 62.100 -0.025 0.000 1.145 418 T CB 0.091 68.823 68.868 -0.226 0.000 0.982 418 T HN 0.569 nan 8.240 nan 0.000 0.544 419 I N 2.223 122.791 120.570 -0.002 0.000 2.842 419 I HA 0.549 4.721 4.170 0.002 0.000 0.296 419 I C -1.647 174.482 176.117 0.020 0.000 1.538 419 I CA -0.867 60.463 61.300 0.049 0.000 0.994 419 I CB 1.826 39.781 38.000 -0.076 0.000 1.372 419 I HN 0.457 nan 8.210 nan 0.000 0.478 420 V N 5.473 125.456 119.914 0.116 0.000 2.638 420 V HA 0.504 4.625 4.120 0.002 0.000 0.306 420 V C -1.084 175.060 176.094 0.084 0.000 1.052 420 V CA -0.270 62.103 62.300 0.121 0.000 0.885 420 V CB 2.155 34.139 31.823 0.267 0.000 0.999 420 V HN 0.870 nan 8.190 nan 0.000 0.424 421 D N 4.070 124.501 120.400 0.051 0.000 2.377 421 D HA 0.159 4.800 4.640 0.002 0.000 0.245 421 D C 1.238 177.555 176.300 0.030 0.000 1.196 421 D CA 0.248 54.274 54.000 0.043 0.000 0.962 421 D CB 0.401 41.202 40.800 0.001 0.000 1.127 421 D HN 0.724 nan 8.370 nan 0.000 0.471 422 H N -0.703 118.291 119.070 -0.126 0.000 2.491 422 H HA -0.095 4.463 4.556 0.002 0.000 0.290 422 H C 0.990 176.219 175.328 -0.166 0.000 1.050 422 H CA 1.180 57.124 56.048 -0.173 0.000 1.309 422 H CB -0.527 29.077 29.762 -0.263 0.000 1.392 422 H HN 0.493 nan 8.280 nan 0.000 0.554 423 H N 1.219 120.088 119.070 -0.336 0.000 2.307 423 H HA 0.162 4.719 4.556 0.002 0.000 0.303 423 H C 2.525 177.826 175.328 -0.045 0.000 1.073 423 H CA 1.377 57.313 56.048 -0.187 0.000 1.338 423 H CB -0.363 29.259 29.762 -0.234 0.000 1.389 423 H HN 0.485 nan 8.280 nan 0.000 0.503 424 A N 1.490 124.365 122.820 0.091 0.000 1.908 424 A HA -0.127 4.194 4.320 0.002 0.000 0.218 424 A C 2.697 180.351 177.584 0.116 0.000 1.181 424 A CA 1.948 54.040 52.037 0.093 0.000 0.627 424 A CB -0.913 18.133 19.000 0.076 0.000 0.818 424 A HN 0.440 nan 8.150 nan 0.000 0.445 425 A N -0.258 122.630 122.820 0.113 0.000 1.883 425 A HA -0.146 4.175 4.320 0.002 0.000 0.217 425 A C 2.429 180.108 177.584 0.159 0.000 1.186 425 A CA 2.699 54.822 52.037 0.143 0.000 0.624 425 A CB -1.435 17.638 19.000 0.121 0.000 0.822 425 A HN 0.801 nan 8.150 nan 0.000 0.444 426 T N -3.024 111.609 114.554 0.133 0.000 3.023 426 T HA 0.005 4.356 4.350 0.002 0.000 0.266 426 T C 1.625 176.457 174.700 0.220 0.000 1.093 426 T CA 1.153 63.359 62.100 0.176 0.000 1.129 426 T CB -0.411 68.528 68.868 0.119 0.000 0.899 426 T HN 0.055 nan 8.240 nan 0.000 0.491 427 V N 2.792 122.809 119.914 0.171 0.000 2.358 427 V HA -0.142 3.979 4.120 0.002 0.000 0.246 427 V C 3.183 179.369 176.094 0.153 0.000 1.047 427 V CA 1.969 64.358 62.300 0.149 0.000 1.035 427 V CB -0.815 31.076 31.823 0.113 0.000 0.658 427 V HN 0.773 nan 8.190 nan 0.000 0.452 428 S N -0.181 115.620 115.700 0.169 0.000 2.402 428 S HA -0.197 4.274 4.470 0.002 0.000 0.229 428 S C 1.957 176.681 174.600 0.207 0.000 1.021 428 S CA 1.368 59.669 58.200 0.167 0.000 0.974 428 S CB -0.691 62.612 63.200 0.173 0.000 0.800 428 S HN 0.502 nan 8.310 nan 0.000 0.484 429 F N 2.169 122.184 119.950 0.108 0.000 2.186 429 F HA 0.128 4.656 4.527 0.002 0.000 0.299 429 F C 2.226 178.120 175.800 0.156 0.000 1.090 429 F CA 1.052 59.129 58.000 0.129 0.000 1.307 429 F CB -0.335 38.721 39.000 0.095 0.000 1.019 429 F HN 0.097 nan 8.300 nan 0.000 0.489 430 M N 0.119 119.785 119.600 0.109 0.000 2.117 430 M HA -0.181 4.300 4.480 0.002 0.000 0.262 430 M C 2.214 178.490 176.300 -0.040 0.000 1.065 430 M CA 1.506 56.818 55.300 0.019 0.000 1.114 430 M CB -1.231 31.431 32.600 0.104 0.000 1.361 430 M HN 0.060 nan 8.290 nan 0.000 0.408 431 K N -0.333 120.076 120.400 0.015 0.000 2.097 431 K HA -0.202 4.119 4.320 0.002 0.000 0.206 431 K C 1.947 178.533 176.600 -0.022 0.000 1.049 431 K CA 1.691 57.984 56.287 0.009 0.000 0.933 431 K CB -0.598 31.930 32.500 0.047 0.000 0.717 431 K HN 0.391 nan 8.250 nan 0.000 0.442 432 H N -0.073 118.913 119.070 -0.139 0.000 2.353 432 H HA 0.015 4.572 4.556 0.002 0.000 0.300 432 H C 1.704 176.877 175.328 -0.258 0.000 1.090 432 H CA 2.089 58.029 56.048 -0.180 0.000 1.327 432 H CB -0.162 29.466 29.762 -0.223 0.000 1.383 432 H HN 0.161 nan 8.280 nan 0.000 0.508 433 L N -0.220 120.727 121.223 -0.460 0.000 2.042 433 L HA -0.188 4.153 4.340 0.002 0.000 0.210 433 L C 2.289 178.999 176.870 -0.266 0.000 1.076 433 L CA 1.944 56.533 54.840 -0.418 0.000 0.749 433 L CB -0.441 41.430 42.059 -0.315 0.000 0.893 433 L HN 0.420 nan 8.230 nan 0.000 0.432 434 D N -0.282 120.009 120.400 -0.182 0.000 2.097 434 D HA -0.192 4.450 4.640 0.002 0.000 0.197 434 D C 1.913 178.140 176.300 -0.122 0.000 0.984 434 D CA 1.160 55.092 54.000 -0.114 0.000 0.826 434 D CB 0.118 40.879 40.800 -0.066 0.000 0.973 434 D HN 0.147 nan 8.370 nan 0.000 0.460 435 N N 0.453 119.071 118.700 -0.138 0.000 2.149 435 N HA -0.138 4.603 4.740 0.002 0.000 0.188 435 N C 1.528 176.954 175.510 -0.139 0.000 1.019 435 N CA 0.843 53.831 53.050 -0.103 0.000 0.857 435 N CB -0.193 38.262 38.487 -0.053 0.000 0.997 435 N HN 0.361 nan 8.380 nan 0.000 0.426 436 E N 0.354 120.390 120.200 -0.272 0.000 2.158 436 E HA -0.104 4.247 4.350 0.002 0.000 0.191 436 E C 1.861 178.370 176.600 -0.151 0.000 0.982 436 E CA 0.378 56.623 56.400 -0.259 0.000 0.823 436 E CB -0.132 29.306 29.700 -0.436 0.000 0.766 436 E HN 0.303 nan 8.360 nan 0.000 0.468 437 Q N 1.716 121.435 119.800 -0.135 0.000 2.061 437 Q HA -0.144 4.197 4.340 0.002 0.000 0.204 437 Q C 1.753 177.717 176.000 -0.061 0.000 0.984 437 Q CA 1.801 57.556 55.803 -0.079 0.000 0.846 437 Q CB 0.005 28.703 28.738 -0.067 0.000 0.902 437 Q HN 0.117 nan 8.270 nan 0.000 0.421 438 K N -0.994 119.370 120.400 -0.061 0.000 2.167 438 K HA 0.070 4.391 4.320 0.002 0.000 0.203 438 K C 1.926 178.503 176.600 -0.038 0.000 1.052 438 K CA 0.872 57.133 56.287 -0.044 0.000 0.956 438 K CB -0.023 32.455 32.500 -0.036 0.000 0.735 438 K HN 0.233 nan 8.250 nan 0.000 0.451 439 A N 1.131 123.925 122.820 -0.042 0.000 1.935 439 A HA 0.008 4.329 4.320 0.002 0.000 0.214 439 A C 1.760 179.327 177.584 -0.029 0.000 1.178 439 A CA 0.870 52.894 52.037 -0.022 0.000 0.640 439 A CB 0.114 19.114 19.000 -0.000 0.000 0.825 439 A HN 0.120 nan 8.150 nan 0.000 0.447 440 R N -2.608 117.864 120.500 -0.047 0.000 2.541 440 R HA 0.252 4.593 4.340 0.002 0.000 0.332 440 R C 0.854 177.135 176.300 -0.032 0.000 0.951 440 R CA 0.551 56.629 56.100 -0.037 0.000 1.136 440 R CB 0.821 31.093 30.300 -0.046 0.000 1.449 440 R HN 0.664 nan 8.270 nan 0.000 0.531 441 G N 0.708 109.484 108.800 -0.041 0.000 2.141 441 G HA2 -0.193 3.768 3.960 0.002 0.000 0.242 441 G HA3 -0.193 3.768 3.960 0.002 0.000 0.242 441 G C 0.226 175.120 174.900 -0.009 0.000 0.982 441 G CA 0.012 45.087 45.100 -0.041 0.000 0.662 441 G HN 0.723 nan 8.290 nan 0.000 0.527 442 G N -2.343 106.458 108.800 0.002 0.000 2.341 442 G HA2 0.549 4.510 3.960 0.002 0.000 0.293 442 G HA3 0.549 4.510 3.960 0.002 0.000 0.293 442 G C -0.874 174.049 174.900 0.038 0.000 1.298 442 G CA 0.509 45.642 45.100 0.054 0.000 0.868 442 G HN 1.968 nan 8.290 nan 0.000 0.540 443 C N 1.893 121.244 119.300 0.085 0.000 2.928 443 C HA 0.668 5.129 4.460 0.002 0.000 0.396 443 C C -2.610 172.362 174.990 -0.030 0.000 1.052 443 C CA -1.054 57.959 59.018 -0.008 0.000 1.251 443 C CB 1.131 28.809 27.740 -0.104 0.000 1.684 443 C HN 0.724 nan 8.230 nan 0.000 0.501 444 P HA 0.397 nan 4.420 nan 0.000 0.267 444 P C -0.564 176.652 177.300 -0.140 0.000 1.209 444 P CA 0.637 63.398 63.100 -0.566 0.000 0.763 444 P CB 1.072 32.121 31.700 -1.084 0.000 0.816 445 A N 2.753 125.568 122.820 -0.008 0.000 2.486 445 A HA 0.453 4.774 4.320 0.002 0.000 0.300 445 A C -1.075 176.575 177.584 0.109 0.000 1.048 445 A CA -0.557 51.555 52.037 0.124 0.000 0.696 445 A CB 1.401 20.591 19.000 0.317 0.000 1.278 445 A HN 0.453 nan 8.150 nan 0.000 0.405 446 D N 1.709 122.160 120.400 0.086 0.000 2.454 446 D HA 0.154 4.795 4.640 0.002 0.000 0.225 446 D C 0.696 177.126 176.300 0.218 0.000 1.081 446 D CA -0.504 53.572 54.000 0.126 0.000 0.864 446 D CB 0.503 41.315 40.800 0.019 0.000 1.040 446 D HN 0.590 nan 8.370 nan 0.000 0.517 447 W N 4.240 125.583 121.300 0.071 0.000 2.321 447 W HA -0.268 4.393 4.660 0.002 0.000 0.306 447 W C 1.937 178.497 176.519 0.069 0.000 1.217 447 W CA 2.264 59.641 57.345 0.053 0.000 1.257 447 W CB 0.072 29.539 29.460 0.011 0.000 1.145 447 W HN 0.581 nan 8.180 nan 0.000 0.509 448 A N -1.235 121.860 122.820 0.460 0.000 1.972 448 A HA -0.203 4.118 4.320 0.002 0.000 0.219 448 A C 1.534 179.227 177.584 0.183 0.000 1.169 448 A CA 1.641 53.886 52.037 0.345 0.000 0.635 448 A CB -1.304 17.927 19.000 0.386 0.000 0.810 448 A HN 0.508 nan 8.150 nan 0.000 0.446 449 W N -0.594 120.687 121.300 -0.030 0.000 2.576 449 W HA 0.146 4.807 4.660 0.002 0.000 0.275 449 W C 1.894 178.309 176.519 -0.174 0.000 1.241 449 W CA 0.034 57.334 57.345 -0.075 0.000 1.328 449 W CB -0.123 29.317 29.460 -0.034 0.000 1.092 449 W HN 0.155 nan 8.180 nan 0.000 0.586 450 I N -0.204 120.339 120.570 -0.045 0.000 2.353 450 I HA -0.091 4.080 4.170 0.002 0.000 0.248 450 I C 0.702 176.631 176.117 -0.314 0.000 1.119 450 I CA 0.770 61.916 61.300 -0.257 0.000 1.417 450 I CB -1.614 36.170 38.000 -0.360 0.000 1.078 450 I HN -0.413 nan 8.210 nan 0.000 0.421 451 V N 3.844 123.487 119.914 -0.451 0.000 2.521 451 V HA 0.073 4.194 4.120 0.002 0.000 0.286 451 V C -1.895 174.032 176.094 -0.279 0.000 1.034 451 V CA -1.013 61.011 62.300 -0.461 0.000 1.045 451 V CB 0.150 31.471 31.823 -0.837 0.000 0.974 451 V HN 0.127 nan 8.190 nan 0.000 0.480 452 P HA 0.118 nan 4.420 nan 0.000 0.269 452 P C -1.826 175.351 177.300 -0.204 0.000 1.215 452 P CA -1.083 61.898 63.100 -0.198 0.000 0.780 452 P CB 0.061 31.657 31.700 -0.172 0.000 0.898 453 P HA -0.003 nan 4.420 nan 0.000 0.234 453 P C 0.105 177.297 177.300 -0.180 0.000 1.167 453 P CA 1.097 64.081 63.100 -0.195 0.000 0.763 453 P CB -0.024 31.549 31.700 -0.211 0.000 0.835 454 I N -6.940 113.494 120.570 -0.226 0.000 2.969 454 I HA 0.442 4.613 4.170 0.002 0.000 0.307 454 I C -0.120 175.905 176.117 -0.153 0.000 1.149 454 I CA -1.307 59.880 61.300 -0.189 0.000 1.008 454 I CB 1.886 39.747 38.000 -0.231 0.000 1.232 454 I HN -0.418 nan 8.210 nan 0.000 0.435 455 S N 1.910 117.565 115.700 -0.074 0.000 3.521 455 S HA -0.197 4.274 4.470 0.002 0.000 0.362 455 S C 1.347 175.925 174.600 -0.038 0.000 1.044 455 S CA 0.771 58.963 58.200 -0.014 0.000 1.091 455 S CB -1.749 61.517 63.200 0.111 0.000 0.908 455 S HN 1.287 nan 8.310 nan 0.000 0.473 456 G N 2.547 111.296 108.800 -0.085 0.000 2.672 456 G HA2 -0.328 3.633 3.960 0.002 0.000 0.218 456 G HA3 -0.328 3.633 3.960 0.002 0.000 0.218 456 G C 1.464 176.230 174.900 -0.222 0.000 1.238 456 G CA 1.539 46.596 45.100 -0.072 0.000 0.791 456 G HN 1.325 nan 8.290 nan 0.000 0.606 457 S N 0.359 115.629 115.700 -0.716 0.000 2.595 457 S HA 0.147 4.619 4.470 0.002 0.000 0.235 457 S C 2.021 176.536 174.600 -0.141 0.000 0.974 457 S CA 0.688 58.339 58.200 -0.914 0.000 0.942 457 S CB -0.209 62.291 63.200 -1.167 0.000 0.766 457 S HN 0.324 nan 8.310 nan 0.000 0.536 458 L N 1.841 123.043 121.223 -0.036 0.000 2.591 458 L HA 0.162 4.503 4.340 0.002 0.000 0.228 458 L C 1.198 178.186 176.870 0.197 0.000 1.133 458 L CA 0.395 55.299 54.840 0.107 0.000 0.880 458 L CB -0.782 41.364 42.059 0.146 0.000 1.033 458 L HN 0.487 nan 8.230 nan 0.000 0.450 459 T N -4.527 110.133 114.554 0.176 0.000 2.918 459 T HA 0.338 4.690 4.350 0.002 0.000 0.286 459 T C -1.739 173.122 174.700 0.269 0.000 1.026 459 T CA -1.969 60.257 62.100 0.211 0.000 1.031 459 T CB 2.077 71.024 68.868 0.132 0.000 1.046 459 T HN -0.221 nan 8.240 nan 0.000 0.479 460 P HA -0.088 nan 4.420 nan 0.000 0.218 460 P C 1.807 179.307 177.300 0.332 0.000 1.149 460 P CA 1.137 64.425 63.100 0.314 0.000 0.817 460 P CB -0.355 31.479 31.700 0.224 0.000 0.785 461 V N -3.590 116.472 119.914 0.247 0.000 2.594 461 V HA -0.190 3.931 4.120 0.002 0.000 0.253 461 V C 2.406 178.602 176.094 0.171 0.000 1.069 461 V CA 1.218 63.640 62.300 0.204 0.000 1.082 461 V CB -2.268 29.610 31.823 0.091 0.000 0.680 461 V HN -0.104 nan 8.190 nan 0.000 0.469 462 F N 1.522 121.456 119.950 -0.027 0.000 2.171 462 F HA -0.147 4.381 4.527 0.002 0.000 0.300 462 F C 2.434 178.370 175.800 0.227 0.000 1.090 462 F CA 2.092 60.084 58.000 -0.012 0.000 1.293 462 F CB -0.210 38.662 39.000 -0.213 0.000 1.013 462 F HN 0.252 nan 8.300 nan 0.000 0.486 463 H N -0.816 118.613 119.070 0.597 0.000 2.539 463 H HA 0.103 4.660 4.556 0.002 0.000 0.267 463 H C 0.200 175.786 175.328 0.431 0.000 0.982 463 H CA 0.256 56.602 56.048 0.498 0.000 1.146 463 H CB -0.158 29.861 29.762 0.428 0.000 1.382 463 H HN 0.264 nan 8.280 nan 0.000 0.577 464 Q N 1.808 121.899 119.800 0.486 0.000 2.347 464 Q HA 0.174 4.515 4.340 0.002 0.000 0.262 464 Q C -0.628 175.613 176.000 0.402 0.000 0.980 464 Q CA -0.454 55.586 55.803 0.394 0.000 0.867 464 Q CB 0.905 29.839 28.738 0.327 0.000 1.242 464 Q HN 0.221 nan 8.270 nan 0.000 0.453 465 E N 3.402 123.784 120.200 0.303 0.000 2.383 465 E HA 0.286 4.637 4.350 0.002 0.000 0.264 465 E C -0.469 176.266 176.600 0.225 0.000 1.050 465 E CA 0.257 56.786 56.400 0.214 0.000 0.896 465 E CB 0.842 30.647 29.700 0.175 0.000 0.982 465 E HN 0.593 nan 8.360 nan 0.000 0.424 466 M N 1.356 121.085 119.600 0.216 0.000 2.550 466 M HA 0.404 4.885 4.480 0.002 0.000 0.292 466 M C -1.163 175.249 176.300 0.187 0.000 1.221 466 M CA -1.048 54.392 55.300 0.232 0.000 0.873 466 M CB 2.336 35.131 32.600 0.324 0.000 1.727 466 M HN 0.153 nan 8.290 nan 0.000 0.459 467 V N 1.767 121.808 119.914 0.212 0.000 2.459 467 V HA 0.493 4.614 4.120 0.002 0.000 0.295 467 V C -0.699 175.560 176.094 0.276 0.000 1.029 467 V CA -0.702 61.754 62.300 0.259 0.000 0.874 467 V CB 1.762 33.781 31.823 0.327 0.000 0.985 467 V HN 0.804 nan 8.190 nan 0.000 0.438 468 N N 3.550 122.402 118.700 0.253 0.000 2.342 468 N HA 0.682 5.423 4.740 0.002 0.000 0.293 468 N C -1.224 174.436 175.510 0.250 0.000 1.026 468 N CA -0.425 52.697 53.050 0.121 0.000 0.857 468 N CB 1.524 40.058 38.487 0.079 0.000 1.256 468 N HN 0.682 nan 8.380 nan 0.000 0.484 469 Y N 0.010 120.326 120.300 0.027 0.000 2.713 469 Y HA 0.557 5.108 4.550 0.002 0.000 0.335 469 Y C -1.131 174.771 175.900 0.003 0.000 1.222 469 Y CA -1.255 56.855 58.100 0.016 0.000 1.061 469 Y CB 0.890 39.365 38.460 0.025 0.000 1.314 469 Y HN 0.187 nan 8.280 nan 0.000 0.453 470 I N 3.455 124.117 120.570 0.152 0.000 2.307 470 I HA 0.388 4.559 4.170 0.002 0.000 0.289 470 I C -0.724 175.446 176.117 0.089 0.000 1.021 470 I CA -0.393 60.937 61.300 0.052 0.000 1.224 470 I CB 0.900 38.920 38.000 0.033 0.000 1.376 470 I HN 0.395 nan 8.210 nan 0.000 0.470 471 L N 4.743 125.983 121.223 0.028 0.000 2.322 471 L HA 0.604 4.945 4.340 0.002 0.000 0.269 471 L C 0.057 176.924 176.870 -0.005 0.000 1.012 471 L CA -0.569 54.297 54.840 0.043 0.000 0.815 471 L CB 2.028 44.104 42.059 0.028 0.000 1.295 471 L HN 0.507 nan 8.230 nan 0.000 0.438 472 S N 0.941 116.650 115.700 0.015 0.000 2.526 472 S HA 0.613 5.084 4.470 0.002 0.000 0.293 472 S C -2.602 172.020 174.600 0.036 0.000 1.092 472 S CA -1.382 56.817 58.200 -0.001 0.000 0.980 472 S CB 1.927 65.140 63.200 0.022 0.000 1.048 472 S HN 0.237 nan 8.310 nan 0.000 0.483 473 P HA 0.335 nan 4.420 nan 0.000 0.267 473 P C -1.312 175.878 177.300 -0.183 0.000 1.195 473 P CA 0.144 63.173 63.100 -0.119 0.000 0.773 473 P CB 0.411 32.011 31.700 -0.165 0.000 0.837 474 A N 1.735 124.398 122.820 -0.263 0.000 2.604 474 A HA 0.652 4.974 4.320 0.002 0.000 0.295 474 A C -1.563 175.797 177.584 -0.373 0.000 1.067 474 A CA -0.508 51.374 52.037 -0.258 0.000 0.683 474 A CB 0.774 19.694 19.000 -0.133 0.000 1.281 474 A HN 0.326 nan 8.150 nan 0.000 0.407 475 F N 1.085 120.950 119.950 -0.142 0.000 2.408 475 F HA 0.683 5.211 4.527 0.002 0.000 0.344 475 F C 0.995 176.680 175.800 -0.192 0.000 1.112 475 F CA 0.255 58.171 58.000 -0.141 0.000 1.096 475 F CB 1.726 40.611 39.000 -0.191 0.000 1.129 475 F HN 0.573 nan 8.300 nan 0.000 0.486 476 R N 1.621 122.127 120.500 0.011 0.000 2.867 476 R HA 0.472 4.813 4.340 0.002 0.000 0.268 476 R C -1.599 174.649 176.300 -0.086 0.000 1.014 476 R CA -1.190 54.836 56.100 -0.123 0.000 0.946 476 R CB 1.707 31.977 30.300 -0.051 0.000 1.208 476 R HN 0.397 nan 8.270 nan 0.000 0.477 477 Y N 1.196 121.519 120.300 0.039 0.000 2.300 477 Y HA 0.210 4.761 4.550 0.002 0.000 0.328 477 Y C 0.524 176.424 175.900 0.001 0.000 1.270 477 Y CA -0.264 57.849 58.100 0.023 0.000 1.352 477 Y CB 0.939 39.399 38.460 -0.001 0.000 1.286 477 Y HN 0.443 nan 8.280 nan 0.000 0.536 478 Q N 1.015 120.910 119.800 0.158 0.000 2.456 478 Q HA 0.636 4.977 4.340 0.002 0.000 0.284 478 Q C -3.150 172.826 176.000 -0.040 0.000 1.061 478 Q CA -2.523 53.306 55.803 0.043 0.000 0.799 478 Q CB 2.110 30.866 28.738 0.030 0.000 1.445 478 Q HN 0.261 nan 8.270 nan 0.000 0.411 479 P HA 0.053 nan 4.420 nan 0.000 0.267 479 P C -0.996 176.106 177.300 -0.331 0.000 1.200 479 P CA 0.044 63.027 63.100 -0.194 0.000 0.772 479 P CB 0.365 31.965 31.700 -0.167 0.000 0.855 480 D N 3.418 123.493 120.400 -0.541 0.000 2.390 480 D HA 0.017 4.658 4.640 0.002 0.000 0.249 480 D C -0.947 174.773 176.300 -0.967 0.000 1.144 480 D CA -1.262 52.138 54.000 -1.001 0.000 0.880 480 D CB 0.297 40.122 40.800 -1.626 0.000 1.182 480 D HN 0.297 nan 8.370 nan 0.000 0.451 481 P HA -0.096 nan 4.420 nan 0.000 0.226 481 P C 0.102 177.142 177.300 -0.434 0.000 1.146 481 P CA 0.835 63.611 63.100 -0.541 0.000 0.773 481 P CB 0.091 31.529 31.700 -0.437 0.000 0.772 482 W N 0.000 120.946 121.300 -0.590 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.133 57.345 -0.354 0.000 1.226 482 W CB 0.000 29.161 29.460 -0.499 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535